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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Binding of adenovirus species C hexon to prothrombin and the influence of hexon on vector properties in vitro and in vivo

The majority of adenovirus (Ad) vectors are based on human Ad type 5, which is a member of Ad species C. Species C also includes the closely-related types 1, 2, 6, 57 and 89. It is known that coagulation factors bind to Ad5 hexon and play a key role in the liver tropism of Ad5 vectors, but it is unclear how coagulation factors affect vectors derived from other species C Ads. We evaluated species C Ad vectors both in vitro and following intravenous injection in mice. To assess the impact of hexon differences, we constructed chimeric Ad5 vectors that contain the hexon hypervariable regions from other species C types, including vectors with hexon mutations that decreased coagulation factor binding. After intravenous injection into mice, vectors with Ad5 or Ad6 hexon had strong liver tropism, while vectors with chimeric hexon from other Ad types had weaker liver tropism due to inhibition by natural antibodies and complement. In addition, we discovered a novel ability of hexon to bind prothrombin, which is the most abundant coagulation factor in blood, and we found striking differences in the affinity of Ads for human, mouse and bovine coagulation factors. When compared to Ad5, vectors with non-Ad5 species C hexons had considerably higher affinity for both human and mouse prothrombin. Most of the vectors tested were strongly dependent on coagulation factors for liver transduction, but vectors with chimeric Ad6 hexon showed much less dependence on coagulation factors than other vectors. We found that in vitro neutralization experiments with mouse serum predicted in vivo behavior of Ad5 vectors, but in vitro experiments did not predict the in vivo behavior of vectors based on other Ad types. In sum, hexons from different human Ad species C viruses confer diverse properties on vectors, including differing abilities to target the liver.

Tian, Jie↗
DOE OSTI2023

Molecular and functional properties of human Plasmodium falciparum CSP C-terminus antibodies

Human monoclonal antibodies (mAbs) against the central repeat and junction domain of Plasmodium falciparum circumsporozoite protein (PfCSP) have been studied extensively to guide malaria vaccine design compared to antibodies against the PfCSP C terminus. Here, we describe the molecular characteristics and protective potential of 73 germline and mutated human mAbs against the highly immunogenic PfCSP C-terminal domain. Two mAbs recognized linear epitopes in the C-terminal linker with sequence similarity to repeat and junction motifs, whereas all others targeted conformational epitopes in the α-thrombospondin repeat (α-TSR) domain. Specificity for the polymorphic Th2R/Th3R but not the conserved RII+/CS.T3 region in the α-TSR was associated with IGHV3-21/IGVL3-21 or IGLV3-1 gene usage. Although the C terminus specific mAbs showed signs of more efficient affinity maturation and class-switching compared to anti-repeat mAbs, live sporozoite binding and inhibitory activity was limited to a single C-linker reactive mAb with cross-reactivity to the central repeat and junction. The data provide novel insights in the human anti-C-linker and anti-α-TSR antibody response that support exclusion of the PfCSP C terminus from malaria vaccine designs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

A MEMS Gyroscope for Reliable Long Duration Measurement While Drilling at 300°C

The 300°C Microelectromechanical system (MEMS) gyroscope project aims to contribute to DOE’s goal of increased geothermal drilling efficiency by 2025 through the development of a 300°C MEMS gyroscope for Measurement While Drilling (MWD). At the conclusion of the 2-year project, the team will develop a 300°C capable MEMS gyroscope containing GE’s patented Multi-Ring Gyroscope Transducer (MRGT) design, custom Silicon-On-Insulator (SOI) based frontend and feedback control electronics, and with demonstrated functionality and lifetime beyond 1000 hours. The project is divided into two budget periods with Go/No-Go decision at the end of the first budget period. The goal for the first budget period is to establish the feasibility of the MRGT and electronics design for meeting the 300°C performance requirements. The goal for the second budget period is to integrate the MRGT with the SOI-based application specific integrated circuit (ASIC) and demonstrate capability to operate at 300°C for 1000 hours. In Budget Period 1 we met the phase 1 goal. We successfully validated the combined MRG, electronics and packaging capability entitlement to achieving 0.5 degrees azimuth uncertainty while enabling operation at significantly higher temperatures than the state-of-the-art. In Budget Period 2, we successfully completed the integration of the MRGT and ASIC with associated high temperature, high reliability packaging to demonstrate the performance and functionality of the integrated gyroscope across the temperature range from room temperature to at 300°C. Furthermore, the team demonstrated operating life of >1,000 hours at 300°C, thus providing a validation of application-relevant lifetime capability.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Radiometric Testing of Germicidal UV Products, Round 1: UV-C Towers and Whole-Room Luminaires (CALiPER Summary Report)

This summary report analyzes the independently tested performance of 13 germicidal ultraviolet (GUV) products purchased between February and July 2022. A companion full report (DOE 2023) provides additional information and discussion of the tested products, test methods, and results. The products were of three different types: • Seven portable, consumer-oriented GUV towers designed to be placed on the floor or a desk of an unoccupied room to disinfect air and surfaces. Five of these products used LED sources and two products had low-pressure mercury (LPM) sources. • One GUV whole-room luminaire designed to be installed on a ceiling to disinfect air when a room is occupied. This product had LED sources. • Five GUV troffer or high-bay style whole-room luminaires designed to be installed in or suspended from a ceiling to disinfect air and surfaces when a room is unoccupied. All five had LPM sources. Product testing covered radiometric and electrical performance for all 13 products as well as photobiological safety evaluation if product documentation included testable claims. Measurement results enable comparison between products and against manufacturer or vendor claims. Testing identified numerous issues related to the accuracy of claimed GUV product performance. Claims were often untestable, contradictory, ambiguous, or used incorrect units and/or terminology. When claims were testable, they often did not match test results. For example, three LED products that claimed to emit UV-C emitted only UV-A. Product claim issues were more common among consumer-oriented tower products, but all product types exhibited problems with accurate performance claims. The UV-C radiant efficiency (calculated as UV-C output power divided by electrical input power) of the products varied widely, even among similar products using the same source technologies. For example, the UV-C radiant efficiency of LPM products varied by greater than a factor of three for the same product type, indicating a large potential energy savings opportunity for products that are better designed for efficiency. LED products had orders-of-magnitude lower UV-C radiant efficiency than LPM products. This study also identified several testing challenges and limitations. Most significant among these is the capability to accurately test and report the performance of larger GUV products. Whereas integrating spheres are used to quickly measure total radiant flux (i.e., output power) and spectral distribution, goniometers are used to measure radiant intensity distribution (from which radiant flux can be calculated). Integrating spheres require a specialized and costly coating to test UV, and the testing laboratory for this round of products had only a 20-inch diameter hemisphere with this capability. The integrating sphere accommodated just 2 of the 10 UV-C emitting products. Goniometer testing had a different size limitation in that mirrors typically used to increase goniometer test distance to the far field reflect little to no UV. As a result, the study evaluated only 6 of 13 products in the far field. Electronic files of UV-C intensity data for the other 7 products, which would typically be imported into design software for designing GUV applications, may not be reliable for predicting irradiance at arbitrary far-field distances (IES 2022a; CIE 2020). Specifiers and buyers of GUV products need accurate performance claims and data to deploy GUV technology safely and effectively. This CALiPER GUV Round 1 report demonstrates the significant education and training manufacturers and vendors still require to accurately test and report the performance of their GUV products. Further industry standards and guidelines may address testing limitations and improve test methods, product performance, and the accuracy of performance claims.

42 ENGINEERING↗
DOE OSTI2023

Radiometric Testing of Germicidal UV Products, Round 1: UV-C Towers and Whole-Room Luminaires (CALiPER Full Report)

This report analyzes the independently tested performance of 13 germicidal ultraviolet (GUV) products purchased between February and July 2022. The products were of three different types: • Seven portable, consumer-oriented GUV towers designed to be placed on the floor or a desk of an unoccupied room to disinfect air and surfaces. Five of these products used LED sources and two products had low-pressure mercury (LPM) sources. • One GUV whole-room luminaire designed to be installed on a ceiling to disinfect air when a room is occupied. This product had LED sources. • Five GUV troffer or high-bay style whole-room luminaires designed to be installed in or suspended from a ceiling to disinfect air and surfaces when a room is unoccupied. All five had LPM sources. Product testing covered radiometric and electrical performance for all 13 products as well as photobiological safety evaluation if product documentation included testable claims. Measurement results enable comparison between products and against manufacturer or vendor claims. Testing identified numerous issues related to the accuracy of claimed GUV product performance. Claims were often untestable, contradictory, ambiguous, or used incorrect units and/or terminology. When claims were testable, they often did not match test results. For example, three LED products that claimed to emit UV-C emitted only UV-A. Product claim issues were more common among consumer-oriented tower products, but all product types exhibited problems with accurate performance claims. The UV-C radiant efficiency (calculated as UV-C output power divided by electrical input power) of the products varied widely, even among similar products using the same source technologies. For example, the UV-C radiant efficiency of LPM products varied by greater than a factor of three for the same product type, indicating a large potential energy savings opportunity for products that are better designed for efficiency. LED products had orders-of-magnitude lower UV-C radiant efficiency than LPM products. This study also identified several testing challenges and limitations. Most significant among these is the capability to accurately test and report the performance of larger GUV products. Whereas integrating spheres are used to quickly measure total radiant flux (i.e., output power) and spectral distribution, goniometers are used to measure radiant intensity distribution (from which radiant flux can be calculated). Integrating spheres require a specialized and costly coating to test UV, and the testing laboratory for this round of products had only a 20-inch diameter hemisphere with this capability. The integrating sphere accommodated just 2 of the 10 UV-C emitting products. Goniometer testing had a different size limitation in that mirrors typically used to increase goniometer test distance to the far field reflect little to no UV. As a result, the study evaluated only 6 of 13 products in the far field. Electronic files of UV-C intensity data for the other 7 products, which would typically be imported into design software for designing GUV applications, may not be reliable for predicting irradiance at arbitrary far-field distances (IES 2022a; CIE 2020). Specifiers and buyers of GUV products need accurate performance claims and data to deploy GUV technology safely and effectively. This CALiPER GUV Round 1 report demonstrates the significant education and training manufacturers and vendors still require to accurately test and report the performance of their GUV products. Further industry standards and guidelines may address testing limitations and improve test methods, product performance, and the accuracy of performance claims.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Radiometric Testing of Germicidal UV Products, Round 1: UV-C Towers and Whole-Room Luminaires (CALiPER Full Report)

This report analyzes the independently tested performance of 13 germicidal ultraviolet (GUV) products purchased between February and July 2022. The products were of three different types: • Seven portable, consumer-oriented GUV towers designed to be placed on the floor or a desk of an unoccupied room to disinfect air and surfaces. Five of these products used LED sources and two products used low-pressure mercury (LPM) sources. • One non-portable GUV whole-room luminaire designed to be installed on a ceiling to disinfect air when a room is occupied. This product used an LED source. • Five non-portable GUV troffer or high-bay style whole-room luminaires designed to be installed in or suspended from a ceiling to disinfect air and surfaces when a room is unoccupied. All five used LPM sources. Radiometric and electrical performance was evaluated for all 13 products. Photobiological safety was also assessed for two of the products because their documentation included testable claims. The test results were compared across products and to manufacturer or vendor claims. The testing identified many issues related to the accuracy of reported GUV product performance. Claims were often untestable, contradictory, ambiguous, or used incorrect units and/or terminology. And when claims were testable, they often did not match test results. For example, three products that claimed to emit UV-C emitted only UV-A. These product claim issues were more numerous with consumer-oriented tower products, but problems with accurate performance claims were found across all products. The UV-C radiant efficiency of the products varied widely, even among similar products using the same source technologies. For example, the UV-C radiant efficiency of LPM products varied by greater than a factor of three for the same product type, indicating a large potential energy savings opportunity for products that are better designed for efficiency. LED products had orders-of-magnitude lower UV-C radiant efficiency than LPM products. Several testing challenges and limitations were identified. Most significant among these is the capability to accurately test and report the performance of larger GUV products. Integrating spheres require a specialized and costly coating to test UV, and the testing laboratory for this round of products had only a 20-inch diameter hemisphere with this capability. Only 2 of the 10 UV-C emitting products could be tested in this sphere. Goniometer testing had a different size limitation in that mirrors typically used to increase goniometer test distance to the far field are not reflective of UV and therefore could not be used to increase test distance. As a result, 7 of 13 products could not be tested far field. The implication is that electronic files of UV-C intensity data typically imported into design software for designing GUV applications may not be reliable for predicting irradiance at arbitrary far-field distances. It is currently unclear if these are industry-wide testing laboratory limitations, and what solutions may exist to address them. Specifiers and buyers of GUV products will need accurate performance claims and data to safely and effectively deploy GUV technology to reduce the transmission of diseases in buildings. This CALiPER GUV Round 1 report demonstrates the significant education and training that is needed for manufacturers and vendors to accurately test and report the performance of their GUV products. Further standards and guidelines are needed to improve test methods, address testing limitations, and improve reporting of product performance. Additionally, the wide range in UV-C radiant efficiency of GUV products means there is a large energy-savings opportunity for more energy efficient GUV products.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Radiometric Testing of Germicidal UV Products, Round 1: UV-C Towers and Whole-Room Luminaires (CALiPER Summary Report)

This summary report analyzes the independently tested performance of 13 germicidal ultraviolet (GUV) products purchased between February and July 2022. A companion full report provides additional information and discussion of the tested products, test methods, and results. The products were of three different types: • Seven portable, consumer-oriented GUV towers designed to be placed on the floor or a desk of an unoccupied room to disinfect air and surfaces. Five of these products used LED sources and two products used low-pressure mercury (LPM) sources. • One non-portable GUV whole-room luminaire designed to be installed on a ceiling to disinfect air when a room is occupied. This product used an LED source. • Five non-portable GUV troffer or high-bay style whole-room luminaires designed to be installed in or suspended from a ceiling to disinfect air and surfaces when a room is unoccupied. All five used LPM sources. Radiometric and electrical performance was evaluated for all 13 products. Photobiological safety was also assessed for two of the products because their documentation included testable claims. The test results were compared across products and to manufacturer or vendor claims. The testing identified many issues related to the accuracy of reported GUV product performance. Claims were often untestable, contradictory, ambiguous, or used incorrect units and/or terminology. And when claims were testable, they often did not match test results. For example, three products that claimed to emit UV-C emitted only UV-A. These product claim issues were more numerous with consumer-oriented tower products, but problems with accurate performance claims were found across all products. The UV-C radiant efficiency of the products varied widely, even among similar products using the same source technologies. For example, the UV-C radiant efficiency of LPM products varied by greater than a factor of three for the same product type, indicating a large potential energy savings opportunity for products that are better designed for efficiency. LED products had orders-of-magnitude lower UV-C radiant efficiency than LPM products. Several testing challenges and limitations were identified. Most significant among these is the capability to accurately test and report the performance of larger GUV products. Integrating spheres require a specialized and costly coating to test UV, and the testing laboratory for this round of products had only a 20-inch diameter hemisphere with this capability. Only 2 of the 10 UV-C emitting products could be tested in this sphere. Goniometer testing had a different size limitation in that mirrors typically used to increase goniometer test distance to the far field are not reflective of UV and therefore could not be used to increase test distance. As a result, 7 of 13 products could not be tested far field. The implication is that electronic files of UV-C intensity data typically imported into design software for designing GUV applications may not be reliable for predicting irradiance at arbitrary far-field distances. It is currently unclear if these are industry-wide testing laboratory limitations, and what solutions may exist to address them. Specifiers and buyers of GUV products will need accurate performance claims and data to safely and effectively deploy GUV technology to reduce the transmission of diseases in buildings. This CALiPER GUV Round 1 report demonstrates the significant education and training that is needed for manufacturers and vendors to accurately test and report the performance of their GUV products. Further standards and guidelines are needed to improve test methods, address testing limitations, and improve reporting of product performance. Additionally, the wide range in UV-C radiant efficiency of GUV products means there is a large energy-savings opportunity for more energy efficient GUV products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Efficient SABRE-SHEATH Hyperpolarization of Potent Branched-Chain-Amino-Acid Metabolic Probe [1-13C]ketoisocaproate

Efficient 13C hyperpolarization of ketoisocaproate is demonstrated in natural isotopic abundance and [1-13C]enriched forms via SABRE-SHEATH (Signal Amplification By Reversible Exchange in SHield Enables Alignment Transfer to Heteronuclei). Parahydrogen, as the source of nuclear spin order, and ketoisocaproate undergo simultaneous chemical exchange with an Ir-IMes-based hexacoordinate complex in CD3OD. SABRE-SHEATH enables spontaneous polarization transfer from parahydrogen-derived hydrides to the 13C nucleus of transiently bound ketoisocaproate. 13C polarization values of up to 18% are achieved at the 1-13C site in 1 min in the liquid state at 30 mM substrate concentration. The efficient polarization build-up becomes possible due to favorable relaxation dynamics. Specifically, the exponential build-up time constant (14.3 ± 0.6 s) is substantially lower than the corresponding polarization decay time constant (22.8 ± 1.2 s) at the optimum polarization transfer field (0.4 microtesla) and temperature (10 °C). The experiments with natural abundance ketoisocaproate revealed polarization level on the 13C-2 site of less than 1%—i.e., one order of magnitude lower than that of the 1-13C site—which is only partially due to more-efficient relaxation dynamics in sub-microtesla fields. We rationalize the overall much lower 13C-2 polarization efficiency in part by less favorable catalyst-binding dynamics of the C-2 site. Pilot SABRE experiments at pH 4.0 (acidified sample) versus pH 6.1 (unaltered sodium [1-13C]ketoisocaproate) reveal substantial modulation of SABRE-SHEATH processes by pH, warranting future systematic pH titration studies of ketoisocaproate, as well as other structurally similar ketocarboxylate motifs including pyruvate and alpha-ketoglutarate, with the overarching goal of maximizing 13C polarization levels in these potent molecular probes. Finally, we also report on the pilot post-mortem use of HP [1-13C]ketoisocaproate in a euthanized mouse, demonstrating that SABRE-hyperpolarized 13C contrast agents hold promise for future metabolic studies.

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

The Cosmic Evolution of C IV Absorbers at 1.4 < z < 4.5: Insights from 100,000 Systems in DESI Quasars

We present the largest catalog to date of triply ionized carbon (C IV ) absorbers detected in quasar spectra from the Dark Energy Spectroscopic Instrument. Using an automated matched-kernel convolution method with adaptive signal-to-noise thresholds, we identify 101,487 C IV systems in the redshift range 1.4 < z < 4.5 from 300,637 quasar spectra. Completeness is estimated via Monte Carlo simulations, and the catalog is 50% complete at EW C IV ≥ 0.4 Å. The differential equivalent width frequency distribution declines exponentially and shows weak redshift evolution. The absorber incidence per unit comoving path increases by a factor of 2–5 from z ≈ 4.5 to z ≈ 1.4, with stronger redshift evolution for strong systems. Using column densities derived from the apparent optical depth method, we constrain the cosmic mass density of C IV , Ω C IV , which increases by a factor of ∼3.8 from (0.82 ± 0.05) × 10 −8 at z ≈ 4.5 to (3.16 ± 0.2) × 10 −8 at z ≈ 1.4. From Ω C IV , we estimate a lower limit on intergalactic medium metallicity ${\mathrm{log}}({Z}_{{\rm{IGM}}}/{Z}_{\odot })\gtrsim -3.25$ at z ∼ 2.3, with a smooth decline at higher redshifts. These trends trace the cosmic star formation history and He II photoheating rate, suggesting a link between C IV enrichment, star formation, and UV background over ∼3 Gyr. The catalog also provides a critical resource for future studies connecting circumgalactic metals to galaxy evolution, especially near cosmic noon.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Compatibility of Steels in Supercritical CO2 at 450°-650°C

Supercritical CO2 (sCO2) power cycles, particularly direct-fired cycles, have the possibility of revolutionizing clean fossil energy. However, in the lower temperature sections of the cycle, lower cost steels are needed in order to lower the cost of the sCO2 technology. Representative 9 and 12%Cr steels and conventional and advanced austenitic steels are being evaluated at 450-650°C using mass change, bulk carbon (C) content and room temperature tensile properties to determine the maximum use temperatures for both direct- and indirect-fired sCO2 cycles. After 1000 h exposures in research grade (RG) sCO2 at 300 bar and RG sCO2 with 1% O2 and 0.1% H2O additions, the results suggest that increasing the Cr content from 9 to 12% yielded no signficant benefit under these conditions but the higher Cr and Ni contents in S31025 provided better compatibility in RG sCO2 at 650°C but limited benefit at 550°C with impurities. For S31609, the formation of Fe-rich oxide after exposure to RG sCO2 at 650°C resulted in both an increase in the bulk C content and a large drop in room temperature ductility. The evidence suggests thin, protective oxides prevented C ingress in these conditions.

Pint, Bruce↗
DOE OSTI2024

Mechanistic study of direct coupling of CO 2 and C 2 H 4 over atomically dispersed metal at graphene edges

Direct coupling of CO 2 and ethylene (hereinafter DCCE) to acrylic acid is valuable for valorizing CO 2 to manufacture acrylate-derived products. However, previous studies in DCCE have been limited on molecular catalysts with challenges in improving catalytic performance. In this work, we employed density functional theory calculations and ab initio molecular dynamics simulations to investigate the heterogeneous catalysis of DCCE over atomically dispersed metal centers at nitrogen-doped zigzag edge of graphene. Based on competitive adsorption and structural stability, Mo, Cr, V, Ru, and Ni active sites are chosen to explore the reaction kinetics. Here, we find that the activation barriers are determined by the charge redistribution at transition states, which explains the trend of activity for the C-C coupling and the hydrogen transfer, two key steps in DCCE. Furthermore, we show that the intramolecular hydrogen transfer (rate-limiting step) is hindered due to the lack of local coordinate at the active sites. We thus propose to use co-adsorbed water as a “proton-exchanger” following a water-assisted route, and show that the activation barriers are reduced over all metal centers. Particularly, water promotes the hydrogen transfer over metals with strong CO 2 -ethylene co-activation and facile C-C coupling kinetics, which could be considered promising for DCCE. In both mechanisms, the stability of metallactone intermediate can be used to predict the catalytic activity. It is anticipated that the insights from this work can provide guidelines for mimicking well-defined multifunctional active sites in molecular catalysts to design heterogeneous catalysts for such C-C coupling, which advances catalytic utilization of CO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

DCT4 —A New Member of the Dicarboxylate Transporter Family in C 4 Grasses

Malate transport shuttles atmospheric carbon into the Calvin–Benson cycle during NADP-ME C 4 photosynthesis. Previous characterizations of several plant dicarboxylate transporters (DCT) showed that they efficiently exchange malate across membranes. Here, we identify and characterize a previously unknown member of the DCT family, DCT4, in Sorghum bicolor. We show that SbDCT4 exchanges malate across membranes and its expression pattern is consistent with a role in malate transport during C 4 photosynthesis. SbDCT4 is not syntenic to the characterized photosynthetic gene ZmDCT2, and an ortholog is not detectable in the maize reference genome. We found that the expression patterns of DCT family genes in the leaves of Zea mays, and S. bicolor varied by cell type. Our results suggest that subfunctionalization, of members of the DCT family, for the transport of malate into the bundle sheath plastids, occurred during the process of independent recurrent evolution of C 4 photosynthesis in grasses of the PACMAD clade. We also show that this subfunctionalization is lineage independent. Our results challenge the dogma that key C 4 genes must be orthologues of one another among C 4 species, and shed new light on the evolution of C 4 photosynthesis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Measurement of the $Ω_c^0$ lifetime at Belle II

We report on a measurement of the $Ω_c^0$ lifetime using $Ω_c^0$ → Ω-π + decays reconstructed in c data collected by the Belle II experiment and corresponding to 207 fb -1 of integrated e + e - → c luminosity. The result, τ ($Ω_c^0$) = 243 ± 48 (stat) ± 11 (syst) fs, agrees with recent measurements indicating that the $Ω_c^0$ is not the shortest-lived weakly decaying charmed baryon.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Studying charm hadronisation into baryons with azimuthal correlations of Λ$^+_c$ with charged particles in pp collisions at $\sqrt{𝑠}$ = 13 TeV

The distribution of angular correlations between prompt charm hadrons and primary charged particles in pp collisions is sensitive to the charm-quark hadronisation process. In this letter, charm-baryon correlations are measured for the first time by studying the azimuthal-angle difference between charged particles and prompt Λ$^+_c$ baryons produced in pp collisions at a centre-of-mass energy of $\sqrt{𝑠}$ = 13 TeV, with the ALICE detector. Λ$^+_c$ baryons are reconstructed at midrapidity (|𝑦| < 0.5) in the transverse-momentum interval 3 < 𝑝 T < 16 GeV/𝑐, and correlated with charged particles with 𝑝 T > 0.3 GeV/𝑐 and pseudorapidity |𝜂| < 0.8. For 3 < 𝑝$^{Λ{^{+}_{c} ,D}}_{T}$ < 5 GeV/𝑐, the comparison with published measurements of D-meson and charged-particle correlations in the same collision system hints at a larger number of low-momentum particles associated with Λ$^+_c$-baryon triggers than with D-meson triggers, both in the collinear and opposite directions with respect to the trigger particle. These differences can be quantified by the comparison of the properties of the near- and away-side correlation peaks, and are not reproduced by predictions of various Monte Carlo event generators, generally underpredicting the associated particle yields at 𝑝$^{assoc}_{T}$ < 1 GeV/𝑐. This tension between Λ$^+_c$-baryon and D-meson associated peak yields could suggest a modified fragmentation of the charm quark, or a different hadronisation process, when a charm baryon is produced in the final state.

Acharya, S. (ORCID:0000000292135329)↗
DOE OSTI2025

Late-Stage Oxidation of C( sp 3 )─H Bonds with High Efficiency and Alkyl Group Dihydroxylation of Complex Molecules

Here, the late-stage oxidation of C(sp 3 )─H bonds is highly valuable for modulating the solubility and binding of bioactive compounds and for diversification of complex molecules. Undirected methods for C(sp 3 )─H oxidation are valuable for the installation of hydroxyl groups at sites remote from other functional groups present in the molecule, but existing catalysts are limited by low turnover numbers and lengthy ligand syntheses. Perfluorinated ruthenium porphyrins are highly active catalysts for the oxidation of alkyl C─H bonds, but the scope of the transformation with complex molecules under conditions of limiting substrate has not been investigated. We report that carbonylruthenium(II) tetrakis(pentafluorophenyl)porphyrin [Ru(TPFPP)(CO)] catalyzes the selective oxidation of tertiary C(sp 3 )─H bonds in a broad range of complex natural products and drugs, with turnover numbers as high as 1000, and the tolerance of the reaction to various functional groups was rapidly assessed by performing a model reaction in the presence of additives. We show how the combination of this undirected C(sp 3 )─H oxidation and a directed C(sp 3 )─H silylation and oxidation provides rapid access to highly oxidized, 1,2-diol derivatives of natural products by a formal dihydroxylation of an alkyl group.

Alcohols↗
DOE OSTI2024

Cu Based Dilute Alloys for Tuning the C 2+ Selectivity of Electrochemical CO 2 Reduction

Electrochemical CO 2 reduction is a promising technology for replacing fossil fuel feedstocks in the chemical industry but further improvements in catalyst selectivity need to be made. So far, only copper-based catalysts have shown efficient conversion of CO 2 into the desired multi-carbon (C 2+ ) products. This work explores Cu-based dilute alloys to systematically tune the energy landscape of CO 2 electrolysis toward C 2+ products. Selection of the dilute alloy components is guided by grand canonical density functional theory simulations using the calculated binding energies of the reaction intermediates CO*, CHO*, and OCCO* dimer as descriptors for the selectivity toward C 2+ products. Here, a physical vapor deposition catalyst testing platform is employed to isolate the effect of alloy composition on the C 2+ /C 1 product branching ratio without interference from catalyst morphology or catalyst integration. Six dilute alloy catalysts are prepared and tested with respect to their C 2+ /C 1 product ratio using different electrolyzer environments including selected tests in a 100-cm 2 electrolyzer. Consistent with theory, CuAl, CuB, CuGa and especially CuSc show increased selectivity toward C 2+ products by making CO dimerization energetically more favorable on the dominant Cu facets, demonstrating the power of using the dilute alloy approach to tune the selectivity of CO 2 electrolysis.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Portable C++ Code that can Look and Feel Like Fortran Code with Yet Another Kernel Launcher (YAKL)

This paper introduces the Yet Another Kernel Launcher (YAKL) C++ portability library, which strives to enable user-level code with the look and feel of Fortran code. The intended audience includes both C++ developers and Fortran developers unfamiliar with C++. The C++ portability approach is briefly explained, YAKL’s main features are described, and code examples are given that demonstrate YAKL’s usage. YAKL fills a niche capability important particularly to scientific applications seeking to port Fortran code quickly to a portable C++ library. YAKL places heavy emphasis on simplicity, readability, and productivity with performance mainly emphasizing Graphics Processing Units (GPUs). Central to YAKL’s ability to allow Fortran-like user-level code are three features: (1) a multi-dimensional Array class that allows Fortran behavior; (2) a limited library of Fortran intrinsic functions; and (3) an efficient pool allocator that transparently enables cheap frequent allocations and deallocations of YAKL Arrays. While YAKL allows Fortran-style code, it also allows Arrays that exhibit C-like behavior as well, including row-major index ordering and lower bounds of “0”. YAKL currently supports CPUs, CPU threading, and Nvidia, AMD, and Intel GPUs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Dissolution of Nb(C,N) During Post-weld Heat-Treatment of Electric Resistance Welded X70 Line Pipe

The effect of peak temperature for post-weld heat treatment (PWHT) on the dissolution of Nb-rich carbonitrides, Nb(C,N), in the weldline of an electric resistance welded (ERW) X70 grade pipeline steel was investigated. Selected-area electron diffraction patterns and corresponding electron energy loss spectroscopy mappings revealed both Nb-rich carbonitrides and Ti-rich nitrides, (Ti,Nb)N, in the sample heat-treated to 1080 °C peak temperature. However, only Ti-rich nitrides were revealed in the sample heat-treated to 1220 °C peak temperature. During continuous heating to higher than the Ac3 temperature, i.e., near 1100 °C temperature, the dissolution of Nb(C,N) was observed in dilation and derivative of dilation. Notably, this experimental result agreed with the predictions by a DICTRA model. Furthermore, a phenomenological model was developed to explain the volume shrinkage during the dissolution of Nb(C,N) precipitates.

36 MATERIALS SCIENCE↗