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At least 919 records · Page 51

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↗

Measurements of Σ electromagnetic form factors in the timelike region using the untagged initial-state radiation technique

The process e + e − → Σ + Σ ¯ − is studied from threshold up to 3.04 GeV / c 2 via the initial-state radiation technique using data with an integrated luminosity of 12.0 fb − 1 , collected at center-of-mass energies between 3.773 and 4.258 GeV with the BESIII detector at the BEPCII collider. The pair production cross sections and the effective form factors of Σ are measured in eleven Σ + Σ ¯ − invariant mass intervals from threshold to 3.04 GeV / c 2 . The results are consistent with the previous results from Belle and BESIII. Furthermore, the branching fractions of the decays J / ψ → Σ + Σ ¯ − and ψ ( 3686 ) → Σ + Σ ¯ − are determined and the obtained results are consistent with the previous results of BESIII. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

A study of the excitation and radiative decay of the 3s-prime 3D-0 and 3d 3D-0 levels of atomic oxygen

The absolute cross-sections for the excitation of the 989 A, 1027 A, 7990 A, 8446 A, 1.1287 micron and 1.3164 micron multiplets of atomic oxygen by electron impact dissociation of O2 are reported. The radiative branching ratios for these transitions are calculated from these results and compared with the NBS compilation of Wiese et al. (1966) and the recent theoretical calculations of Pradhan and Saraph (1977). The cascade models of O(+) radiative recombination and of electron-impact excitation of the O I(3S) state in the terrestrial airglow are discussed in the light of the laboratory measurements, and the effects of the resonant absorption of components of the lambda 989 A and lambda 1027 A multiplets by the Birge-Hopfield band system of N2 are investigated. This process is shown to depend sensitively on the N2 vibrational temperature and to cause characteristic changes in the OI EUV emission spectrum in auroras and in the sunlit F-region at high exospheric temperatures.

Zipf, E. C.↗

ACTS Satellite Telemammography Network Experiments

The Satellite Networks and Architectures Branch of NASA's Glenn Research Center has developed and demonstrated several advanced satellite communications technologies through the Advanced Communications Technology Satellite (ACTS) program. One of these technologies is the implementation of a Satellite Telemammography Network (STN) encompassing NASA Glenn, the Cleveland Clinic Foundation. the University of Virginia, and the Ashtabula County Medical Center. This paper will present a look at the STN from its beginnings to the impact it may have on future telemedicine applications. Results obtained using the experimental ACTS satellite demonstrate the feasibility of Satellite Telemammography. These results have improved teleradiology processes and mammography image manipulation, and enabled advances in remote screening methodologies. Future implementation of satellite telemammography using next generation commercial satellite networks will be explored. In addition, the technical aspects of the project will be discussed, in particular how the project has evolved from using NASA developed hardware and software to commercial off the shelf (COTS) products. Development of asymmetrical link technologies was an outcome of this work. Improvements in the display of digital mammographic images, better understanding of end-to-end system requirements, and advances in radiological image compression were achieved as a result of the research. Finally, rigorous clinical medical studies are required for new technologies such as digital satellite telemammography to gain acceptance in the medical establishment. These experiments produced data that were useful in two key medical studies that addressed the diagnostic accuracy of compressed satellite transmitted digital mammography images. The results of these studies will also be discussed.

Kachmar, Brian A.↗

Surface Landing Site Weather Analysis for NASA's Constellation Program

Weather information is an important asset for NASA's Constellation Program in developing the next generation space transportation system to fly to the International Space Station, the Moon and, eventually, to Mars. Weather conditions can affect vehicle safety and performance during multiple mission phases ranging from pre-launch ground processing of the Ares vehicles to landing and recovery operations, including all potential abort scenarios. Meteorological analysis is art important contributor, not only to the development and verification of system design requirements but also to mission planning and active ground operations. Of particular interest are the surface weather conditions at both nominal and abort landing sites for the manned Orion capsule. Weather parameters such as wind, rain, and fog all play critical roles in the safe landing of the vehicle and subsequent crew and vehicle recovery. The Marshall Space Flight Center (MSFC) Natural Environments Branch has been tasked by the Constellation Program with defining the natural environments at potential landing zones. This paper wiI1 describe the methodology used for data collection and quality control, detail the types of analyses performed, and provide a sample of the results that cab be obtained.

Altino, Karen M.↗

Lean Blowout (LBO) Simulations in a Rich-Burn Quick-Quench Lean-Burn (RQL) Gas Turbine Combustor

The transient processes involving lean blowout (LBO) in a RQL combustor such as the single cup combustor in the National Jet Fuels Combustion Program (NJFCP) referee rig are simulated with the reduced mechanisms based on Hybrid Chemistry for two different fuels, Cat-A2 and Cat-C1. Cat-A2 fuel is Jet-A with average or nominal properties based on a survey of the Petroleum Quality Information System database. The Cat-C1, an alternative jet fuel, is a GEVO alcohol-to-jet (ATJ) fuel composed almost entirely of two highly-branched C12 and C16 iso-paraffins. Experiments conducted in the NJFCP referee rig established a stable flame at an equivalence ratio of 0.096 (the near LBO condition) as the starting condition for LBO tests performed with all Category A and C fuels. Simulations of the approach to LBO verify that a stable flame is established at the near-LBO condition for each fuel before reducing fuel flow rate (and thus equivalence ratio) in a step-wise manner. At each new equivalence ratio, the global heat release rate and total fuel evaporation time histories are monitored to verify a new stable flame condition has been established before performing the next reduction in equivalence ratio until the flame is approaching the blowout. Main conclusions are threefold: (1) For Cat-C1 fuel the equivalence ratio for LBO is around 0.087. (2) For Cat-A2 fuel the equivalence ratio for LBO is either 0.082 or 0.078 depended on the time span of equivalence ratio of 0.085. (3) The averaged difference from LES on LBO for Cat-C1 relative to Cat-A2 is 8.75% versus 7.8% from the experimental data.

LES, Lean blow out↗

A Search for Butane in Titan’s Atmosphere using Cassini CIRS Infrared Spectra

The atmosphere of Saturn’s moon, Titan, is unlike any other. Photochemistry and ion chemistry in the upper atmosphere process the major atmospheric constituents, molecular nitrogen (N2) and methane (CH4), into larger and more complex molecules including hydrocarbons and nitriles. To date there are ten hydrocarbons heavier than methane that have been detected, including large quantities of the saturated hydrocarbons (alkanes) ethane (C2H6) and propane (C3H8). In addition to being significant trace gases of the atmosphere, these species condense, rain out and add to the volume of Titan’s hydrocarbon lakes and seas. The fourth lightest alkane, butane (C4H10),comes in two structural forms: an unbranched carbon chain (n-butane) and a branched chain (i-butane). The relative production rates of both these isomers are presently unknown, although the circumstantial case for butane to be present in detectable amounts is strong, based on photochemical models and from Cassini low-resolution mass spectrometry of the ionosphere. Butane, like its lighter siblings ethane and propane, is thought to be present in Titan’s lakes and seas where it may be active in forming molecular ‘co-crystals’ with acetylene (C2H2). We report on our recent attempts to detect both forms of butane in Titan’s atmosphere by analysis of Cassini infrared spectra collected during 2004-2017 by the Composite Infrared Spectrometer(CIRS) instrument. This multi-year effort has encompassed the collection of new laboratory spectra of both isomers at several institutions, followed by a concerted attempt to find their signatures in CIRS spectra. We search for butane by high precision modeling and removal of overlying emissions due to other, already-known gases to reveal signatures that match those of the butane isomers. The current status of the search will be discussed, including improved upper limits for both isomers, and directions of future research to detect both species.

Conor Nixon↗

Injection of freshly synthesized Ca-41 in the early solar nebula by an asymptotic giant branch star

We show that ejecta from the envelope of one asymptotic giant branch star of M is approximately 3 solar mass may account for many of the short-lived nuclei in the early solar system and also for the recent evidence of the presence of Ca-41 (bar-tau(sub 41) = 1.50 x 10(exp 5) yr) in early solar nebular condensates. This would require that the injection into the protosolar molecular cloud took place within a narrow time interval of (5-7) x 10(exp 5) yr before the formation of the solar system. If true, this places extremely tight constraints on the whole process of injection mixing and collapse. The timescales for both Ca-41 and Al-26 require that the placental medium be a dense molecular cloud (2 x 10(exp 3) -8 x 10(exp 3( H/cc). If the observed residual Ca-41 is instead produced by a proton bombardment mechanism within the early solar system, similar to what appears necessary to explain Mn-53, then the time interval is relaxed but would still be (1-2) x 10(exp 6) yr from consideration of Al-26.

Wasserburg, G. J.↗

Symbolically Modeling Concurrent MCAPI Executions

Improper use of Inter-Process Communication (IPC) within concurrent systems often creates data races which can lead to bugs that are challenging to discover. Techniques that use Satisfiability Modulo Theories (SMT) problems to symbolically model possible executions of concurrent software have recently been proposed for use in the formal verification of software. In this work we describe a new technique for modeling executions of concurrent software that use a message passing API called MCAPI. Our technique uses an execution trace to create an SMT problem that symbolically models all possible concurrent executions and follows the same sequence of conditional branch outcomes as the provided execution trace. We check if there exists a satisfying assignment to the SMT problem with respect to specific safety properties. If such an assignment exists, it provides the conditions that lead to the violation of the property. We show how our method models behaviors of MCAPI applications that are ignored in previously published techniques.

Fischer, Topher↗

Search for new neutral Higgs bosons through the H$\to$ ZA $\to \ell^{+}\ell^{-} \mathrm{b\bar{b}}$ process in pp collisions at $\sqrt{s} =$ 13 TeV

This paper reports on a search for an extension to the scalar sector of the standard model, where a new CP-even (odd) boson decays to a Z boson and a lighter CP-odd (even) boson, and the latter further decays to a b quark pair. The Z boson is reconstructed via its decays to electron or muon pairs. The analysed data were recorded in proton-proton collisions at a center-of-mass energy $ \sqrt{s} $ = 13 TeV, collected by the CMS experiment at the LHC during 2016, corresponding to an integrated luminosity of 35.9 fb$^{−1}$. Data and predictions from the standard model are in agreement within the uncertainties. Upper limits at 95% confidence level are set on the production cross section times branching fraction, with masses of the new bosons up to 1000 GeV. The results are interpreted in the context of the two-Higgs-doublet model.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Ghent Hybrid model in NuWro: a new neutrino single-pion production model in the GeV regime

Neutrino-induced single-pion production constitutes an essential interaction channel in modern neutrino oscillation experiments, with its products building up a significant fraction of the observable hadronic final states. Frameworks of oscillation analyses strongly rely on Monte Carlo neutrino event generators, which provide theoretical predictions of neutrino interactions on nuclear targets. Thus, it is crucial to integrate state-of-the-art single-pion production models with Monte Carlo simulations to prepare for the upcoming systematics-dominated landscape of neutrino measurements. In this work, we present the implementation of the Ghent Hybrid model for neutrino-induced single-pion production in the NuWro Monte Carlo event generator. The interaction dynamics includes coherently-added contributions from nucleon resonances and a non-resonant background, merged into the pythia branching predictions in the deep-inelastic regime, as instrumented by NuWro. This neutrino-nucleon interaction model is fully incorporated into the nuclear framework of the generator, allowing it to account for the influence of both initial- and final-state nuclear medium effects. We compare the predictions of this integrated implementation with recent pion production data from accelerator-based neutrino experiments. The results of the novel model show improved agreement of the generator predictions with the data and point to the significance of the refined treatment of the description of pion-production processes beyond the ∆ region.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for charged Higgs bosons produced in vector boson fusion processes and decaying into vector boson pairs in proton–proton collisions at $\sqrt{s} = 13\,{\text {TeV}} $

A search for charged Higgs bosons produced in vector boson fusion processes and decaying into vector bosons, using proton–proton collisions at √s = 13 TeV at the LHC, is reported. The data sample corresponds to an integrated luminosity of 137 fb -1 collected with the CMS detector. Events are selected by requiring two or three electrons or muons, moderate missing transverse momentum, and two jets with a large rapidity separation and a large dijet mass. No excess of events with respect to the standard model background predictions is observed. Model independent upper limits at 95% confidence level are reported on the product of the cross section and branching fraction for vector boson fusion production of charged Higgs bosons as a function of mass, from 200 to 3000GeV. The results are interpreted in the context of the Georgi–Machacek model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Investigating Kinetic Mechanisms of Soot Formation in Plasma Pyrolysis of Methane via Active Learning (Final Technical Report)

Plasma pyrolysis of methane is an effective route for zero-carbon hydrogen production. Yet, soot generated from pyrolysis of hydrocarbons is detrimental to the climate and human health. There is ample experimental and theoretical evidence that suggests polycyclic aromatic hydrocarbons (PAHs) are the molecular precursors to soot particles. The reaction pathways of PAH formation are intricately dependent on a multitude of process parameters, whose kinetic mechanisms are not well-understood in plasma pyrolysis. This project aims to leverage advances in the kinetic modeling of soot formation in combustion, as well as in surrogate modeling and active learning, to systematically investigate the effects of process parameter on the kinetics of PAH formation in plasma pyrolysis of methane. To this end, we propose to use the PAH formation kinetics model developed by the PPPL/PU group based on the well-established ABF and HACA mechanisms, coupled with low-temperature plasma models. We will develop an active learning (AL) framework based on Bayesian optimization to systematically and data-efficiently explore the complex and multivariable parameter space of plasma pyrolysis in order to quantify the effects of plasma and feed parameters on the ABF and HACA kinetic pathways. AL is the branch of machine learning concerned with systematically querying samples from a system (experimental or computational) to train a data-driven model that maps design parameters to a performance criterion. We will use the data generated via AL to perform global sensitivity analysis, combined with uncertainty quantification, to elucidate the impact of different reaction pathways on minimizing formation of soot precursors. This study will result in an improved understanding of kinetics of PAH formation in plasma pyrolysis and can pave the way for more advanced mechanistic studies (e.g., soot nucleation mechanisms). Additionally, the findings will be useful for establishing practical strategies for increasing the pyrolysis efficiency and producing high-grade carbon for synthesis of nanomaterials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Relating ground truth collection to model sensitivity

The importance of collecting high quality ground truth before a SAR mission over a forested area is two fold. First, the ground truth is used in the analysis and interpretation of the measured backscattering properties; second, it helps to justify the use of a scattering model to fit the measurements. Unfortunately, ground truth is often collected based on visual assessment of what is perceived to be important without regard to the mission itself. Sites are selected based on brief surveys of large areas, and the ground truth is collected by a process of selecting and grouping different scatterers. After the fact, it may turn out that some of the relevant parameters are missing. A three-layer canopy model based on the radiative transfer equations is used to determine, before hand, the relevant parameters to be collected. Detailed analysis of the contribution to scattering and attenuation of various forest components is carried out. The goal is to identify the forest parameters which most influence the backscattering as a function of frequency (P-, L-, and C-bands) and incident angle. The influence on backscattering and attenuation of branch diameters, lengths, angular distribution, and permittivity; trunk diameters, lengths, and permittivity; and needle sizes, their angular distribution, and permittivity are studied in order to maximize the efficiency of the ground truth collection efforts. Preliminary results indicate that while a scatterer may not contribute to the total backscattering, its contribution to attenuation may be significant depending on the frequency.

Amar, Faouzi↗

Improved filters for angular filter refractometry

Angular filter refractometry is an optical diagnostic that measures the absolute contours of a line-integrated density gradient by placing a filter with alternating opaque and transparent zones in the focal plane of a probe beam, which produce corresponding alternating light and dark regions in the image plane. Identifying transitions between these regions with specific zones on the angular filter (AF) allows the line-integrated density to be determined, but the sign of the density gradient at each transition is degenerate and must be broken using other information about the object plasma. Additional features from diffraction in the filter plane often complicate data analysis. Here, in this paper, we present an improved AF design that uses a stochastic pixel pattern with a sinusoidal radial profile to minimize unwanted diffraction effects in the image caused by the sharp edges of the filter bands. We also present a technique in which a pair of AFs with different patterns on two branches of the same probe beam can be used to break the density gradient degeneracy. Both techniques are demonstrated using a synthetic diagnostic and data collected on the OMEGA EP (extended performance) laser.

47 OTHER INSTRUMENTATION↗

Ignition and combustion of bulk metals at normal, elevated and reduced gravity

Knowledge of the oxidation, ignition, and combustion of bulk metals is important for fire safety in the production, management, and utilization of liquid and gaseous oxygen for ground based and space applications. This proposal outlines studies in continuation of research initiated earlier under NASA support to investigate the ignition and combustion characteristics of bulk metals under varying gravity conditions. Metal ignition and combustion have not been studied previously under these conditions and the results are important not only for improved fire safety but also to increase knowledge of basic ignition and combustion mechanisms. The studies completed to date have led to the development of a clean and reproducible ignition source and diagnostic techniques for combustion measurements and have provided normal, elevated, and reduced gravity combustion data on a variety of different pure metals. The research conducted under this grant will use the apparatus and techniques developed earlier to continue the elevated and low gravity experiments, and to develop the overall modeling of the ignition and combustion process. Metal specimens are to be ignited using a xenon short-arc lamp and measurements are to be made of the ignition energy, surface temperature history, burning rates, spectroscopy of surface and gas products, and surface morphology and chemistry. Elevated gravity will be provided by the University of Colorado Geotechnical Centrifuge and microgravity will be obtained in NASA's DC-9 Reduced Gravity aircraft.

Branch, Melvyn C.↗

Measurement of the cross sections of $$ {e}^{+}{e}^{-}\to {K}^{-}{\overline{\Xi}}^{+}\Lambda /{\Sigma}^0 $$ at center-of-mass energies between 3.510 and 4.914 GeV

Abstract Usinge + e − collision data collected with the BESIII detector at the BEPCII collider at center-of-mass energies between 3.510 and 4.914 GeV, corresponding to an integrated luminosity of 25 fb −1 , we measure the Born cross sections for the process$$ {e}^{+}{e}^{-}\to {K}^{-}{\overline{\Xi}}^{+}\Lambda /{\Sigma}^0 $$ e + e − → K − Ξ ¯ + Λ / Σ 0 at thirty-five energy points with a partial-reconstruction strategy. By fitting the dressed cross sections of$$ {e}^{+}{e}^{-}\to {K}^{-}{\overline{\Xi}}^{+}\Lambda /{\Sigma}^0 $$ e + e − → K − Ξ ¯ + Λ / Σ 0 , evidence for$$ \psi (4160)\to {K}^{-}{\overline{\Xi}}^{+}\Lambda $$ ψ 4160 → K − Ξ ¯ + Λ is found for the first time with a significance of 4.4σ, including systematic uncertainties. No evidence for other possible resonances is found. In addition, the products of electronic partial width and branching fraction for all assumed resonances decaying into$$ {K}^{-}{\overline{\Xi}}^{+}\Lambda /{\Sigma}^0 $$ K − Ξ ¯ + Λ / Σ 0 are determined.

Physics↗

Machine learning-based discovery of molecular descriptors that control polymer gas permeation

While machine learning has found increasing use in predicting the properties of polymeric materials with only a knowledge of chain architecture, determining the molecular factors underpinning properties (“interpretable AI”) has remained less well explored. We show that encoding chain chemistry in commonly employed formats, e.g., binary-valued fingerprints, leads to uniqueness issues during the hashing process to save storage space. This is because the hashing algorithm can map several chemical moieties into the same bit. These issues carry over into the ML algorithms, especially for “inverse” design and interpretable AI, and cannot be avoided by changing the length of the fingerprint. Using MACCS key featurizations of monomer repeats resolves some of these issues, and we show that a few substructures consistently appear in top features for maximizing permeability across several gases and ML models. These are carbon–carbon double bonds (as in polyacetylenes) especially when they are associated with methyl groups (found in branching architectures). Here these results, derived from the limited data set of ~ 500 polymers with experimental gas permeation data, are in agreement with physical insight and thus provide a robust foundation which could further enable study of these material classes through detailed experiments and simulations.

36 MATERIALS SCIENCE↗