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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Mapping tall shrub biomass in Alaska at landscape scale using structure-from-motion photogrammetry and lidar

Warming in arctic and boreal regions is increasing shrub cover and biomass. In southcentral Alaska, willow (Salix spp.) and alder (Alnus spp.) shrubs grow taller than many tree species and account for a substantial proportion of aboveground biomass, yet they are not individually measured as part of the operational Forest Inventory and Analysis (FIA) Program. The goal of this research was to test methods for landscape-scale mapping of tall shrub biomass in upper montane and subalpine environments using FIA-type plot measurements (n = 51) and predictor variables from imagery-based structure-from-motion (SfM) and airborne lidar. Specifically, we compared biomass models constructed from imagery acquired by unmanned aerial vehicle (UAV; ~1.7 cm pixels), imagery from the NASA Goddard's Lidar, Hyperspectral, and Thermal Airborne Imager (G-LiHT; ~3.1 cm pixels), and concomitant G-LiHT small-footprint lidar. Tall shrub biomass was most accurately predicted at 5 m resolution (R^2 = 0.81, RMSE = 1.09 kg/sq. m) using G-LiHT SfM color and structure variables. Lidar-only models had lower precision (R^2 = 0.74, RMSE = 1.26 kg/sq. m), possibly due to reduced model information content from variable multicollinearity or lower data density. Separate models for upper montane zones with trees and shrubs and subalpine zones with only shrubs were always chosen over single models based on minimization of Akaike's Information Criterion, indicating the need for variable sets robust to overhanging tree canopy. Decreasing point density from UAV (5000–8000 pts./sq. m) to the G-LiHT SfM point cloud (500–2000 pts./sq. m) had little impact on model fit, suggesting that high-resolution airborne imagery can extend SfM approaches well beyond line-of-sight restrictions for UAV platforms. Overall, our results confirmed that SfM from high-resolution imagery is a viable approach to estimate shrub biomass in the boreal region, especially when an existing lidar terrain model and local field calibration data are available to quantify uncertainty in the SfM point cloud and landscape-scale estimates of shrub biomass.

Michael Alonzo↗
NASA NTRS2021

Mapping Boreal Forest Spruce Beetle Health Status at the Individual Crown Scale Using Fused Spectral and Structural Data

The frequency and severity of spruce bark beetle outbreaks are increasing in boreal forests leading to widespread tree mortality and fuel conditions promoting extreme wildfire. Detection of beetle infestation is a forest health monitoring (FHM) priority but is hampered by the challenges of detecting early stage (“green”) attack from the air. There is indication that green stage might be detected from vertical gradients of spectral data or from shortwave infrared information distributed within a single crown. To evaluate the efficacy of discriminating “non-infested”, “green”, and “dead” health statuses at the landscape scale in Alaska, USA, this study conducted spectral and structural fusion of data from: (1) Unoccupied aerial vehicle (UAV) multispectral (6 cm) + structure from motion point clouds (~700 pts per sq. m); and (2) Goddard Lidar Hyperspectral Thermal (G-LiHT) hyperspectral (400 to 1000 nm, 0.5 m) + SWIR-band lidar (~32 pts per sq.m). We achieved 78% accuracy for all three health statuses using spectral + structural fusion from either UAV or G-LiHT and 97% accuracy for non-infested/dead using G-LiHT. We confirm that UAV 3D spectral (e.g., greenness above versus below median height in crown) and lidar apparent reflectance metrics (e.g., mean reflectance at 99th percentile height in crown), are of high value, perhaps capturing the vertical gradient of needle degradation. In most classification exercises, UAV accuracy was lower than G-LiHT indicating that collecting ultra-high spatial resolution data might be less important than high spectral resolution information. While the value of passive optical spectral information was largely confined to the discrimination of non-infested versus dead crowns, G-LiHT hyperspectral band selection (~400, 675, 755, and 940 nm) could inform future FHM mission planning regarding optimal wavelengths for this task. Interestingly, the selected regions mostly did not align with the band designations for our UAV multispectral data but do correspond to, e.g., Sentinel-2 red edge bands, suggesting a path forward for moderate scale bark beetle detection when paired with suitable structural data.

Janice Cessna↗
DOE OSTI2019

Microorganisms that co-consume glucose with non-glucose carbohydrates and methods of use

Microorganisms that co-consume glucose with non-glucose carbohydrates, such as xylose, and methods of using same. The microorganisms comprise modifications that reduce or ablate the activity of a phosphoenolpyruvate (PEP):carbohydrate phosphotransferase system (PTS) protein or modifications that reduce or ablate the activity of a phosphoglucose isomerase and a GntR. The PTS protein may be selected from an enzyme I (EI), an HPr, an FPr, and an enzyme IIGlc (EIIGlc). Additional modifications include reduction or ablation of the activity of a pyruvate formate lyase, a lactate dehydrogenase, and a fumarate reductase and inclusion of recombinant pyruvate decarboxylase and alcohol dehydrogenase genes. The microorganisms are particularly suited to co-consuming glucose and xylose in media containing these substrates and producing ethanol therefrom.

09 BIOMASS FUELS↗
DOE OSTI2021

Microorganisms that co-consume glucose with non-glucose carbohydrates and methods of use

Microorganisms that co-consume glucose with non-glucose carbohydrates, such as xylose, and methods of using same. The microorganisms comprise modifications that reduce or ablate the activity of a phosphoenolpyruvate (PEP):carbohydrate phosphotransferase system (PTS) protein or modifications that reduce or ablate the activity of a phosphoglucose isomerase and a GntR. The PTS protein may be selected from an enzyme I (EI), an HPr, an FPr, and an enzyme IIGlc (EIIGlc). Additional modifications include reduction or ablation of the activity of a pyruvate formate lyase, a lactate dehydrogenase, and a fumarate reductase and inclusion of recombinant pyruvate decarboxylase and alcohol dehydrogenase genes. The microorganisms are particularly suited to co-consuming glucose and xylose in media containing these substrates and producing ethanol therefrom.

Reed, Jennifer L.↗
DOE OSTI2022

MODELING AND PARAMETRIC STUDY OF END-GAS AUTOIGNITION TO ALLOW THE REALIZATION OF ULTRA-LOW EMISSIONS, HIGH-EFFICIENCY HEAVY-DUTY SPARK-IGNITED NATURAL GAS ENGINES

Engine knock and misfire are barriers to pathways leading to high-efficiency Spark-Ignited (SI) Natural Gas (NG) engines. The general tendency to knock is highly dependent on engine operating conditions and the fuel reactivity. The problem is further complicated by the low emission limits and the wide range of chemical reactivity in pipeline-quality natural gas. Depending on the region and the source of the natural gas, its reactivity, described by its Methane Number (MN), which is analogous to the Octane Number for liquid SI fuels, can span from 65 to 95. In order to realize diesel-like efficiencies, SI NG engines must be designed to operate at high Brake Mean Effective Pressures (BMEP), near or beyond knock limits, over a wide range of fuel reactivity. This requires a deep understanding of the combustion-engine interactions pertaining to flame propagation and End-Gas Autoignition (EGAI), i.e., the autoignition of the unburned gas (end gas) ahead of the flame front. However, EGAI, if controlled, provides an opportunity to increase SI NG engine efficiency by increasing the combustion rate and the total fraction of burned fuel, mitigating the effects of the slow flame speeds characteristic of natural gas fuels, which generally reduce BMEP and increase unburned hydrocarbon emissions. For this reason, to realize diesel-like efficiencies and ultra-low emissions on SI NG engines, this work proposes the study of the main parameters influencing the modeling and prediction of NG EGAI to allow for its control. In this work, a novel EGAI detection and onset determination method was developed to reliably quantify EGAI for data analysis and engine control. The new method allowed the prediction of EGAI on SI NG engines without the need to use engine- and operating-condition-dependent thresholds and reduced the error in quantifying the fraction of the total energy released by the EGAI event by up to 40%pts. One- and three-dimensional engine models were then developed to study the engine/fuel interactions that lead to NG EGAI and its performance benefits. These models, although having decent agreement with experimental data, showed the need to account for NOx chemistry when predicting NG EGAI due to a consistently later prediction of the EGAI onset (~1.65 crank-angle degrees) and thus, a new reduced chemical mechanism for real NG fuels was developed containing NOx chemistry. The new reduced mechanism improved the EGAI onset prediction agreement to within ±0.5 crank-angle degrees and decreased simulation time during combustion by nearly 50% when using the further reduced AREIS50NOx chemical mechanism. These models were then used to study the role of NG composition on EGAI, evaluate the engine/fuel interactions leading to NG EGAI, and perform engine optimization while leveraging EGAI to increase thermal efficiency. Piston design optimization combined with a Controlled EGAI (C-EGAI) combustion mode allowed a Heavy-Duty (HD) SI NG engine to operate at diesel-like efficiencies, i.e., Brake Thermal Efficiency (BTE) ≥44%. Experimental and modeling data analysis revealed that earlier and faster heat release increases combustion efficiency by an average of 1%pts, increases work transferred to the piston resulting in a decrease in exhaust losses by 50% depending on the engine operating condition while slightly increasing heat losses. Finally, the simulation results revealed an opportunity to further enhance the BTE (up to 50%) by enabling C-EGAI combustion at leaner conditions, λ=1.4-1.6.

Bestel, Diego Bernardi↗
DOE OSTI2025

Investigation of the approach used in the unresolved resonance region

The typical practice used in Monte Carlo neutron transport codes in the unresolved resonance region (URR) is to take advantage of the probability table (PT) approach. Cross sections are sampled from PTs and used as needed, along with generated average cross sections. The PTs are generated based on cross-section calculations performed using the single-level Breit–Wigner approximation. Although the approach used in the URR seems plausible, a detailed examination was needed to understand the benchmark results obtained using specific tests.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRSDate not supplied

NASA’s Exploration and In-Space Services (NExIS) Division OSAM-1 and Related Propellant Transfer Subsystem Progress through FY 2024 Presentation

NASA’s Exploration and In-Space Services (NExIS) Division has been developing technologies for the on-orbit servicing of satellites for decades (Hubble servicing missions) On-Orbit Servicing, Assembly and Manufacturing mission 1 (OSAM-1) had plans to robotically refuel a heritage satellite on-orbit (a.k.a. non-cooperative) Future plans of the OSAM-1 flight hardware will not be discussed The OSAM-1 Space Infrastructure Dexterious Robot (SPIDER) payload is designed to assemble a 3-meter communications antenna OSAM-1 Propellant Transfer Subsystem (PTS) development supports the nascent in-space refueling ISAM goals Reference “National In-Space Servicing, Assembly, and Manufacturing Implementation Plan” (Dec 2022 from White House Office of Science and Technology Policy) ISAM fluid transfer technology shortfalls still exist and are actively being addressed at NASA

PTS↗
DOE OSTI2017

Genomic, Transcriptional, and Phenotypic Analysis of the Glucose Derepressed Clostridium beijerinckii Mutant Exhibiting Acid Crash Phenotype

Clostridium beijerinckii is a predominant solventogenic bacterium that is used for the ABE fermentation. Various C. beijerinckii mutants are constructed for desirable phenotypes. The C. beijerinckii mutant BA105 harboring a glucose derepression phenotype was previously isolated and demonstrated the enhanced amylolytic activity in the presence of glucose. Despite its potential use, BA105 is not further characterized and utilized. Therefore, the authors investigate fermentation phenotypes of BA105 in this study. Under the typical batch fermentation conditions, BA105 consistently exhibits acid crash phenotype resulting in limited glucose uptake and cell growth. However, when the culture pH is maintained above 5.5, BA105 exhibits the increased glucose uptake and butanol production than did the wild‐type. To further analyze BA105, the authors perform genome sequencing and RNA sequencing. Genome analysis identifies two SNPs unique to BA105, in the upstream region of AbrB regulator (Cbei_4885) and the ROK family glucokinase (Cbei_4895) which are involved in catabolite repression and regulation of sugar metabolism. Transcriptional analysis of BA105 reveals significant differential expression of the genes associated with the PTS sugar transport system and acid production. This study improves understanding of the acid crash phenomenon and provides the genetic basis underlying the catabolite derepression phenotype of C. beijericnkii .

Seo, Seung‐Oh↗
DOE OSTI2018

Just How Attractive is the ATTRACT Trial?

Venous thromboembolism (VTE) is a major public health issue; deep vein thrombosis (DVT) affects about 1/1000 patients. Each year, VTE kills more patients in Western Europe than breast cancer, prostate cancer, acquired immune deficiency syndrome (AIDS) and road traffic accidents combined and is responsible for the deaths of approximately 370,000 European citizens (Cohen et al. in Thromb Haemost 98:756–764, 2007; Bĕlohlávek et al. in Exp Clin Cardiol 18(2):129–138, 2013). The recently published ATTRACT trial (Acute Venous Thrombosis Thrombus Removal with Adjunctive Catheter-directed Thrombolysis) (Vedantham et al. in N Engl J Med 377:2240–2252, 2017) concluded that the addition of catheter-directed thrombolysis to standard therapy with anticoagulation and compression stockings offers no significant clinical benefit over standard therapy in terms of reduction in the rate of post-thrombotic syndrome (PTS) at 2 years. It is the largest, prospective, multi-centre, randomised controlled trial (RCT) and represents the culmination over a decade of planning, execution and analysis. In this opinion article, we analyse why it was needed, what it demonstrated, some limitations, and the directions in which this important publication will take us.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Efficient derivatization of methylphosphonic and aminoethylsulfonic acids related to nerve agents simultaneously in soils using trimethyloxonium tetrafluoroborate for their enhanced, qualitative detection and identification by EI-GC–MS and GC–FPD

Trimethyloxonium tetrafluoroborate (TMO·BF 4 ) has been used here in the simultaneous derivatization of phosphonic and 2-aminoethylsulfonic acids related to nerve agents in different soils for their enhanced detection and identification by electron ionization gas chromatography-mass spectrometry (EI-GC–MS). The panel of acids consisted of five Schedule 2 phosphonic acids (methyl methylphosphonic acid, ethyl methylphosphonic acid, isopropyl methylphosphonic acid, pinacolyl methylphosphonic acid and cyclohexyl methylphosphonic acid) along with two sulfonic acids, N,N-diethyl-2-aminoethylsulfonic acid and N,N-diisopropyl-2-aminoethylsulfonic acid. The acids were converted to their corresponding methyl esters at ambient temperature when present at a 10 μg g -1 concentration in three separate soils: Virginia type A soil, Ottawa sand and Nebraska EPA soil. The concentration of the acids reflects values typically encountered during proficiency tests (PTs) administered annually by the Organisation for the Prohibition of Chemical Weapons (OPCW). Derivatization times to yield detectable signals for the methyl ester products for all the acids was found to vary among all three soil samples, however, it was found that generally the most optimal time across all the matrices involved was 3 h after the addition of TMO·BF 4 . Concomitantly, the analysis of the samples was complemented using GC coupled to flame photometric detection (GC–FPD). The inclusion of GC–FPD in the analysis yielded stronger signals for all seven methylated analytes making their detection after merely 3 h possible relative to the ones initially obtained with EI-GC–MS. Regarding the three soils employed in our study, a greater methylating efficiency was found in the Virginia type A soil and Ottawa sand yielding results that were significantly larger in magnitude to those found during the same time points for the Nebraska EPA soil sample. Prolonged reaction times (up to 72 h) were explored to find the time for the highest yield of methyl ester production were found instead to be deleterious to the process showcasing the importance of the fast yielding nature of the process specifically in situations where time-sensitive analysis is crucial (e.g. OPCW-PT).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

High-pressure/high-temperature synthesis and characterization of the first palladium or platinum containing lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt)

The new lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) were obtained via multianvil high-pressure/high-temperature syntheses at 8 GPa and 1150 °C starting from a stoichiometric mixture of lithium nitride, sulfur, and palladium or platinum. Single crystal structure analyses indicated the space group P2{sub 1}/c (no. 14) with the following lattice parameters and refinement results: a=492.9(1), b=1005.9(2), c=614.9(2) pm, β=110.9 (1)°, R1=0.0165, wR2=0.0308 (all data) for Li{sub 2}Pd{sub 3}S{sub 4} and a=498.2(1), b=1005.5(2), c=613.0(2) pm, β=110.8(1)°, R1=0.0215, wR2=0.0450 (all data) for Li{sub 2}Pt{sub 3}S{sub 4}. The crystal structures are built up from two distinct Pd/Pt sites, one of which is a special position (0,0,0), two sulfur sites, and one lithium site. The atoms Pd2/Pt2 form isolated square planar PdS{sub 4}/PtS{sub 4} units, whereas the Pd1/Pt1 atoms form pairs of square planar PdS{sub 4}/PtS{sub 4} units, which are connected via a common edge. These two structural motives built up a three-dimensional network structure by linking through common corners. The lithium atoms are positioned inside of the so formed channels. Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) are isostructural to the minerals jaguéite, Cu{sub 2}Pd{sub 3}Se{sub 4} and chrisstanleyite, Ag{sub 2}Pd{sub 3}Se{sub 4}, which are up to now the only representatives of this structure type. Both compounds were studied with respect to their magnetic properties and can be classified as Pauli paramagnetic or diamagnetic. Regarding the possibility of lithium mobility inside the channels, of the structure, solid state {sup 7}Li NMR and high-temperature single crystal investigations revealed localization of the lithium atoms on their crystallographic sites. - Graphical abstract: The ternary lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) were prepared via multianvil high-pressure/high-temperature syntheses. They are built up from square planar PtS{sub 4}/PdS{sub 4} units with lithium located in the channels of the crystal structure. - Highlights: • Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) are the missing sulfide analogue compounds to Cu{sub 2}Pd{sub 3}Se{sub 4} and Ag{sub 2}Pd{sub 3}Se{sub 4}. • The compounds are the first Pd or Pt containing lithium transition-metal sulfides. • Li mobility was investigated via temp. dependent XRD and solid state {sup 7}Li NMR. • Magnetic properties revealed Pauli paramagnetic or diamagnetic contributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Modular system for probabilistic fracture mechanics analysis of embrittled reactor pressure vessels in the Grizzly code

In light water reactor (LWR) nuclear power plants, the reactor pressure vessel (RPV) plays an essential safety role, and its integrity must be ensured during a variety of transient loading conditions. These can include off-normal conditions such as a pressurized thermal shock (PTS), as well as transients encountered during normal startup, shutdown, and testing of the reactor. Exposure to irradiation and elevated temperatures embrittles the RPV’s steel over time, making it increasingly susceptible to failure due to propagation of fractures that could initiate at the locations of flaws introduced during the manufacturing process. As long-term operation scenarios are being considered for LWRs in the United States, it is important to have a flexible simulation tool that can be used to perform probabilistic evaluations of RPV integrity under a wide variety of conditions and incorporate improved predictive models of RPV steel embrittlement. The Grizzly code is being developed to meet these needs. This paper describes Grizzly’s modular architecture, provides results of benchmarking studies of various components of Grizzly, and demonstrates the application of Grizzly on a model that includes plume effects that are difficult to represent in other codes being used in current practice.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Fluorinated polythiophenes with ester side chains for boosting the V OC and efficiency in non-fullerene polymer solar cells

As the power conversion efficiency (PCE) of organic photovoltaics (OPVs) approximates the 19 % threshold, wide bandgap (WBG) polythiophenes (PTs) have gained increasing attention due to their simple chemical structures and ease of synthesis, making them promising candidates for large-scale production. However, the benchmark polymer poly(3-hexylthiophene) (P3HT) is limited by its high-lying HOMO energy level, which restricts the open-circuit voltage (V OC ) in solar cells. Here, in this study, we introduce a novel series of PT derivatives (PDC8-T, PDC8-3T, PDC16-3T, and PDC16-3T-2F) featuring ester side chains designed to fine-tune electronic properties through a streamlined three-step synthesis. Additionally, we incorporated a π-spacer to reduce steric hindrance and elongated alkyl side chains to improve solubility and processability. Compared to P3HT, these PT derivatives demonstrate a significant reduction in HOMO energy levels, lowering by approximately 0.3–0.4 eV. Among them, PDC16-3T-2F—with fluorine atom substitution—achieves the lowest HOMO energy level, induces a coplanar molecular conformation, and enhances polymer aggregation behavior. We evaluated these PT derivatives in inverted non-fullerene bulk-heterojunction (NFA BHJ) OPVs. The PDC8-3T device showed a relatively low PCE of 0.69 %, with a V OC of 0.76 V, a short-circuit current density (J SC ) of 3.32 mA/cm 2 , and a fill factor (FF) of 27.3 %. In contrast, the PDC16-3T-2F device achieved an impressive PCE of 7.21 %, with a V OC of 0.85 V, a J SC of 14.60 mA/cm 2 , and an FF of 58.4 %. This remarkable improvement is attributed to the fluorine substitution, which not only enhances molecular orientation but also downshifts the HOMO energy level and further boosts the V OC . Hence, these molecular design strategies have led to a fibrillar bicontinuous interpenetrating network with optimal nanoscale phase separation within the active layer.

14 SOLAR ENERGY↗
DOE OSTI2022

Structures and Magnetic Properties of K 2 Pd 4 U 6 S 17 , K 2 Pt 4 U 6 S 17 , Rb 2 Pt 4 U 6 S 17 , and Cs 2 Pt 4 U 6 S 17 Synthesized Using the Boron–Chalcogen Mixture Method

A series of A 2 M 4 U 6 S 17 (A = Alkali metal, M = Pd or Pt) compounds, specifically K 2 Pd 4 U 6 S 17 , K 2 Pt 4 U 6 S 17 , Rb 2 Pt 4 U 6 S 17 , and Cs 2 Pt 4 U 6 S 17 , were synthesized using the combined Boron-Chalcogen Mixture (BCM) and molten flux crystal growth methods. The formation of the Rb- and Cs- containing analogues resulted from the in-situ alkali polysulfide flux formation formed from the alkali carbonates. The successful synthesis of single crystals of the title compounds allowed for their structural characterization by single crystal X-ray diffraction. The structure determination revealed disorder of the alkali cations in Rb 2 Pt 4 U 6 S 17 , and Cs 2 Pt 4 U 6 S 17 , while the potassium cations in K 2 Pd 4 U 6 S 17 and K 2 Pt 4 U 6 S 17 were fully ordered. Here, magnetic measurements were performed on samples of K 2 Pt 4 U 6 S 17 , Rb 2 Pt 4 U 6 S 17 , and Cs 2 Pt 4 U 6 S 17 that contained small amounts of paramagnetic β-US 2 and diamagnetic PtS. Antiferromagnetic order is observed at T N = 9.1 K for K 2 Pt 4 U 6 S 17 . No long-range magnetic order was observed for Rb 2 Pt 4 U 6 S 17 and Cs 2 Pt 4 U 6 S 17 . Uranium moments of 2.5, 2.6, and 2.6 μB were measured for K 2 Pt 4 U 6 S 17 , Rb 2 Pt 4 U 6 S 17 , and Cs 2 Pt 4 U 6 S 17 , respectively.

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

Effect of Thermal Storage on the Emissions and Efficiency Performance of a Wood Pellet-Fired Residential Boiler

Wood pellet boilers for residential heating applications offer the promise of low emissions, high efficiency, and automatic operation. However, when operated in the field, these units operate often at very low loads causing them to cycle. In this study, the performance of a 25-kW modern pellet boiler under emulated field conditions and fixed nominal loads of 15% and 100% has been studied in a lab—with and without a buffer tank. A dilution tunnel approach was used for the measurement of particulate emissions, in accordance with U.S. certification testing requirements under EPA Methods 28 WHH and 28 WHH PTS. Results show that increasing the amount of thermal storage used decreases cycling rates leading to decreased emissions and increased efficiency. Without thermal storage, integrated efficiency over a 15% load test period was 57%, compared to 74% when thermal storage was used. Particulate emissions were 180 mg/MJ and 64 mg/MJ for the 15% load case without and with thermal storage, respectively.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Unraveling Dimensional Tuning: From 2D to 3D in Covalent Organic Frameworks for Enhanced 2e – Oxygen Reduction Reaction

Covalent organic frameworks (COFs) with a two-dimensional (2D) topology have recently emerged as promising catalyst systems for the electrosynthesis of hydrogen peroxide (H 2 O 2 ) from oxygen (O 2 ). However, designing 2D catalysts to achieve higher H 2 O 2 selectivity presents a significant challenge because of the extensive layer stacking and the aggregated active sites located in the basal planes. It results in lower atom utilization, which requires attention. In this study, we present two functionally similar COFs: one with a 2D rhombus topology (2D@BT_TPA-COF) and another with a three-dimensional (3D) noninterpenetrated pts topology (3D@BT_TPA-COF). Both COFs were utilized for the 2e – oxygen reduction reaction (2e – ORR). Tunning the dimensionality from 2D to 3D resulted in an increase in H 2 O 2 selectivity from approximately ~56% to approximately ~96% (at 0.4 V) and a rise in the turnover frequency (TOF) from 0.05 to 0.08 s –1 at 0.3 V. Nonaggregated active site distribution over 3D topology, featuring higher active site exposure, provides better access to the O 2 /electrolyte and facilitates electron transfer leading to higher 2e – ORR activity and selectivity compared to the 2D counterpart.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

3D Covalent Organic Frameworks of Interlocking 1D Square Ribbons

A new mode of mechanical entanglement in extended structures is described where 1D organic ribbons of corner-sharing squares are mutually interlocked to form 3D woven covalent organic framework-500, COF-500. Reaction of aldehyde-functionalized tetrahedral Cu(PDB) 2 PO 2 Ph 2 complexes (PDB = 4,4'-(1,10-phenanthroline-2,9-diyl)dibenzaldehyde) with rectangular tetratopic ETTBA (4',4''',4''''',4'''''''-(ethene-1,1,2,2-tetrayl)tetrakis([1,1'-biphenyl]-4-amine)) linkers through imine condensation, yielded a crystalline porous metalated COF, COF-500-Cu, with pts topology. Upon removal of the Cu(I) ions, the individual 1D square ribbons in the demetalated form (COF-500) are held together only by mechanical interlocking of rings, which allows their collective movement to produce a narrow-pore form, as evidenced by nitrogen adsorption and solid-state photoluminescence studies. When exposed to tetrahydrofuran vapor, the interlocking ribbons can dynamically move away from each other to reopen up the structure. Finally, the structural integrity of COF-500 is maintained during its dynamics because the constituent square ribbons cannot part company due to spatial confinement imparted by their interlocking nature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Structure and specificity of a permissive bacterial C-prenyltransferase

This study highlights the biochemical and structural characterization of the L-tryptophan C6 C-prenyltransferase (C-PT) PriB from Streptomyces sp. RM-5-8. In this work, PriB was found to be uniquely permissive to a diverse array of prenyl donors and acceptors including daptomycin. Two additional PTs also produced novel prenylated daptomycins with improved antibacterial activities over the parent drug.

59 BASIC BIOLOGICAL SCIENCES↗