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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
DOE OSTI2021

A structural explanation for the mechanism and specificity of plant branching enzymes I and IIb

Branching enzymes (BEs) are essential in the biosynthesis of starch and glycogen and play critical roles in determining the fine structure of these polymers. The substrates of these BEs are long carbohydrate chains that interact with these enzymes via multiple binding sites on the enzyme’s surface. By controlling the branched-chain length distribution, BEs can mediate the physiological properties of starch and glycogen moieties; however, the mechanism and structural determinants of this specificity remain mysterious. In this study, we identify a large dodecaose binding surface on rice BE I (BEI) that reaches from the outside of the active site to the active site of the enzyme. Mutagenesis activity assays confirm the importance of this binding site in enzyme catalysis, from which we conclude that it is likely the acceptor chain binding site. Comparison of the structures of BE from Cyanothece and BE1 from rice allowed us to model the location of the donor-binding site. We also identified two loops that likely interact with the donor chain and whose sequences diverge between plant BE1, which tends to transfer longer chains, and BEIIb, which transfers exclusively much shorter chains. When the sequences of these loops were swapped with the BEIIb sequence, rice BE1 also became a short-chain transferring enzyme, demonstrating the key role these loops play in specificity. Taken together, these results provide a more complete picture of the structure, selectivity, and activity of BEs.

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

Evaluation of several relevant fractionation processes as possible explanation for radioxenon isotopic activity ratios in samples taken near underground nuclear explosions in shafts and tunnels

Gas samples taken from two historic underground nuclear tests done in 1989 at the Nevada National Security Site (NNSS), formerly the Nevada Test Site (NTS), were examined to determine how xenon isotopes fractionate because of early-time cavity processes, transport through the rock, or dispersal through tunnels. Xenon isotopes are currently being used to distinguish civilian sources of xenon in the atmosphere from sources associated with underground nuclear explosions (UNEs). The two nuclear tests included (1) BARNWELL, a test conducted in a vertical shaft approximately 600 m below ground surface at Pahute Mesa, and (2) DISKO ELM, a horizontal line-of-sight test done in P-tunnel approximately 261 m below the surface of Aqueduct Mesa. Numerical flow and transport models developed for the two sites had mixed success when attempting to match the observed xenon isotope ratios. At the BARNWELL site, the simulated xenon isotope ratios were consistent with measurements from the chimney and ground surface and appeared to have been affected primarily by fractionation during subsurface transport. At the DISKO ELM site, samples taken from two elevations in the chimney failed to show the degree of fractionation predicted by the models during transport and did not show evidence for significant fractionation due to early-time condensation of refractory xenon-precursor radionuclides into the melt glass. Gas samples taken from the adjacent tunnels in the days following the test showed mixed evidence for early-time separation of xenon isotopes from their iodine precursors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Entropy-Driven Charge Separation: A Potential Explanation for the Low Energy Loss Found in OPVs with Non-fullerene Acceptors

The recent development of non-fullerene acceptors (NFA) has led to an abrupt increase in the organic photovoltaic (OPV) efficiency from ~12% to ~20%. NFA OPVs can generate photocurrent efficiently without much energy loss, which contrasts with the large energy loss often needed for generating free charges from excitons in fullerene OPVs. Here, we argue that entropy-driven charge separation, which allows excitons to spontaneously gain heat from the environment, is responsible for the exceptionally low energy loss found in NFA OPVs. The entropic driving force is maximized when the delocalized electron and hole wave functions in the CT exciton intersect each other via pointlike junctions. Furthermore, these pointlike junctions are abundant in the polymer/NFA bulk heterojunction which consists of intertwined, stringlike donor and acceptor domains in which electron delocalizes anisotropically. Such microstructure favors entropy-driven charge separation, which can enable charge separation with a minimal energy loss.

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

A thermodynamic explanation of the Invar effect

The anomalously low thermal expansion of Fe–Ni Invar has long been associated with magnetism, but to date, the microscopic underpinnings of the Invar behaviour have eluded both theory and experiment. Here we present nuclear resonant X-ray scattering measurements of the phonon and magnetic entropies under pressure. By applying a thermodynamic Maxwell relation to these data, we obtain the separate phonon and magnetic contributions to thermal expansion. We find that the Invar behaviour stems from a competition between phonons and spins. In particular, the phonon contribution to thermal expansion cancels the magnetic contribution over the 0–3 GPa pressure range of Invar behaviour. At pressures above 3 GPa, the cancellation is lost, but our analysis reproduces the positive thermal expansion measured separately by synchrotron X-ray diffractometry. Ab initio calculations informed by experimental data show that spin–phonon interactions improve the accuracy of this cancellation over the range of Invar behaviour. Further, spin–phonon interactions also explain how different phonon modes have different energy shifts with pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2021

An ecophysiological explanation for manganese enrichment in rock varnish

Significance Rock varnish is a prominent feature of desert landscapes and the canvas for many prehistoric petroglyphs. How it forms—and, in particular, the basis for its extremely high manganese content—has been an enduring mystery. The work presented here establishes a biological mechanism for this manganese enrichment, underpinned by an apparent antioxidant strategy that enables microbes to survive in the harsh environments where varnish forms. The understanding that varnish is the residue of life using manganese to thrive in the desert illustrates that, even in extremely stark environments, the imprint of life is omnipresent on the landscape.

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

Toward a Robust Confirmation or Refutation of the Sterile-Neutrino Explanation of Short-Baseline Anomalies

The sterile neutrino interpretation of the LSND and MiniBooNE neutrino anomalies is currently being tested at three liquid argon detectors: MicroBooNE, SBND, and ICARUS. It has been argued that a degeneracy between 𝜈 𝜇 → 𝜈 𝑒 and 𝜈 𝑒 → 𝜈 𝑒 oscillations significantly degrades their sensitivity to sterile neutrinos. Through an independent study, we show two methods to eliminate this concern. First, we resolve this degeneracy by including external constraints on 𝜈𝑒 disappearance from the PROSPECT reactor experiment. Second, by properly analyzing the full three-dimensional parameter space, we demonstrate that the stronger-than-sensitivity exclusion from MicroBooNE alone already covers the entire 2⁢𝜎 preferred regions of MiniBooNE at the level of 2−3⁢𝜎. We show that upcoming searches at SBND and ICARUS can improve on this beyond the 4⁢𝜎 level, thereby providing a rigorous test of short-baseline anomalies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Panorama of new-physics explanations to the MiniBooNE excess

The MiniBooNE low-energy excess stands as an unexplained anomaly in short-baseline neutrino oscillation experiments. It has been shown that it can be explained in the context of dark sector models. Here, we provide an overview of the possible new-physics solutions based on electron, photon, and dilepton final states. We systematically discuss the various production mechanisms for dark particles in neutrino-nucleus scattering. Our main result is a comprehensive fit to the MiniBooNE energy spectrum in the parameter space of dark neutrino models, where short-lived heavy neutral leptons are produced in neutrino interactions and decay to e + e - pairs inside the detector. For the first time, other experiments will be able to directly confirm or rule out dark neutrino interpretations of the MiniBooNE low-energy excess.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Joint explanation of the B → π K puzzle and the B → K ν ν ¯ excess

In light of the recent branching fraction measurement of the B + → K + ν ν ¯ decay by Belle II and its poor agreement with the Standard Model expectation, we analyze the effects of an axionlike particle (ALP) in B meson decays. We assume a long-lived ALP with a mass of the order of the pion mass that decays to two photons. We focus on a scenario where the ALP decay length is of the order of meters such that the ALP has a non-negligible probability to decay outside the detector volume of Belle II, mimicking the B + → K + ν ν ¯ signal. Remarkably, such an arrangement is also relevant for the long-standing B → π K puzzle by noting that the measured B 0 → π 0 K 0 and B + → π 0 K + decays could have a B 0 → a K 0 and B + → a K + component, respectively. We also argue based on our results that the required ALP-photon effective coupling belongs to a region of parameter space that can be extensively probed in future beam dump experiments like SHiP. Published by the American Physical Society 2025

Altmannshofer, W. (ORCID:0000000316212561)↗