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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 73 records · Page 4

Cyclotron production of a 204 Bi/ 204m Pb generator by 24 MeV proton irradiation of natural Pb foil targets

This work focuses on the formation of a generator of 204 Bi/ 204m Pb for future applications in perturbed angular correlation spectroscopy and biological radiotracing with lead and bismuth isotopes. Generators were formed from the irradiation of natural Pb targets with 24 MeV protons producing 203,204,205,206,207 Bi that were rapidly dissolved in 3 M HNO 3 and 30 % H 2 O 2 and exchanged into a 0.1 M HCl matrix. Use of 100 mg anion exchange resin (AG 1-x8) allowed 203,204m Pb to be eluted in 600 μL of 0.1 M HCl. Furthermore, the longer-lived 205,206 Bi were eluted in 5 mL or 3 mL of either 0.25 M sodium acetate buffer pH 4.4 or 1.0 M H 2 SO 4 . Initial radiolabeling was conducted with eluted 206 Bi using DTPA and DOTA and 203 Pb using TCMC-Azide.

07 ISOTOPE AND RADIATION SOURCES↗

Focused interplanetary transport of approximately 1 MeV solar energetic protons through self-generated Alfven waves

We present a model of the focused transport of approximately 1 MeV solar energetic protons through interplanetary Alfven waves that the protons themselves amplify or damp. It is based on the quasi-linear theory but with a phenomenological pitch angle diffusion coefficient in the 'resonance gap.' For initial Alfven wave distributions that give mean free paths greater than approximately 0.5 AU for approximately 1 MeV protons in the inner heliosphere, the model predicts greater than roughly an order of magnitude amplification (damping) in the outward (inward) propagating resonant Alfven waves at less than or approximately equal to o.3 AU heliocentric distance. As the strength of proton source is increased, the peak differential proton intensity at approximately 1 MeV at 1 AU increases to a maximum of approximately 250 particles (/(sq cm)(s)(sr)(MeV)) and then decreases slowly. It may be attenuated by a factor of 5 or more relative to the case without wave evolution, provided that the proton source is sufficiently intense that the resulting peak differential intensity of approximately 1 MeV protons at 1 AU exceeds approximately 200 particles (/(sq cm)(s)(sr)(MeV)). Therefore, in large solar proton events, (1) one may have to take into account self-amplified waves in studying solar particle propagation, (2) the number of accelerated protons escaping from a flare or interplanetary shock may have been underestimated in past studies by a significant factor, and (3) accelerated protons escaping from a traveling interplanetary shock at r less than or approximately equal to 0.3 AU should amplify the ambient hydromagnetic waves siginificantly to make the shock an efficient accelerator, even if initially the mean free path is greater than or approximately equal to 1 AU.

Ng, C. K.↗

Direct Evidence for Buffer-Enhanced Proton-Coupled Electron Transfer Generation of a High-Valent Metal-Oxo Complex

Here, the oxidation of metal-aquo and -hydroxo complexes to generate the high-valent metal-oxo species used in oxidative catalysis is often kinetically slow due to sluggish proton transfer between ligated −H 2 O/–OH in the proton-coupled electron transfer (PCET) chemistry. In this research, a ruthenium water oxidation catalyst anchored to a conductive tin-doped indium oxide (ITO) thin film, abbreviated ITO|Ru II –OH 2 , was characterized by spectroscopic and electrochemical methods in acetate or phosphate buffers. The deprotonated intermediate, Ru II –OH, was observed spectroscopically in the PCET half-reaction ITO(e – )|Ru III –OH + H + → ITO|Ru II –OH 2 indicating an underlying stepwise ET-PT mechanism. In contrast, at elevated buffer concentrations, this intermediate was absent, and a 2–4 order of magnitude increase in the proton transfer rate constant was observed. Kinetic data for this PCET reaction measured as a function of the driving force provided the reorganization energy λ = 1.05 eV and was assigned to a concerted electron–proton transfer (EPT) mechanism. In addition, the standard heterogeneous rate constants for two PCET equilibria, Ru III –OH + H + + e – ⇌ Ru II –OH 2 and Ru IV = O + H + + e – ⇌ Ru III –OH were enhanced by these same buffers. Collectively, the data show that the added buffers can enhance the kinetics and thermodynamics for PCET reactions relevant to oxidative catalysis.

Catalysts↗

Diffusion model approach to simulating electron-proton scattering events

Generative artificial intelligence is a fast-growing area of research offering various avenues for exploration in high-energy nuclear physics. In this work, we explore the use of generative models for simulating electron-proton collisions relevant to experiments like the Continuous Electron Beam Accelerator Facility and the future Electron-Ion Collider (EIC). These experiments play a critical role in advancing our understanding of nucleons and nuclei in terms of quark and gluon degrees of freedom. The use of generative models for simulating collider events faces several challenges such as the sparsity of the data, the presence of global or eventwide constraints, and steeply falling particle distributions. In this work, we focus on the implementation of diffusion models for the simulation of electron-proton scattering events at EIC energies. Our results demonstrate that diffusion models can reproduce relevant observables such as momentum distributions and correlations of particles, momentum sum rules, and the leading electron kinematics, all of which are of particular interest in electron-proton collisions. Although the sampling process is relatively slow compared to other machine-learning architectures, we find diffusion models can generate high-quality samples. We foresee various applications of our work including inference for nuclear structure, interpretable generative machine learning, and searches of physics beyond the Standard Model. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Structure of Self-Generated Magnetic Fields in Laser-Solid Interaction from Proton Tomography

Self-generated magnetic fields in laser-solid interactions are experimentally characterized to reveal the 3D location and local field strength, rather than path-integrated quantities, using multi-view proton radiography and tomographic inversion. We infer magnetic fields that extend several millimeters off the target into the hot, rarefied corona, sufficient to strongly magnetize the plasma (Ω e τ e ≫ 1). The data are compared to MHD simulations incorporating recent improvements in modeling magnetic field generation and transport; the volume-averaged coronal field strength and magnetic flux agree to within 25% using a model with magnetic re-localization of transport, although the near-target morphology is not reproduced. This work demonstrates tomographic proton radiography as a valuable tool for investigating magnetic fields in laser-produced plasmas.

High-energy-density plasmas↗

Identification of a key water molecule involved in the macrophage migration inhibitory factor‐catalyzed tautomerization of para ‐hydroxyphenylpyruvate using neutron crystallography

Abstract Neutron crystallography was used to determine a 2.5‐Å resolution all‐atom structure of macrophage migration inhibitory factor (MIF) interacting with 3‐(4‐hydroxyphenyl)‐pyruvate (HPP). MIF is a pro‐inflammatory, pro‐tumorigenic protein that may be an attractive therapeutic target. MIF catalyzes the interconversion of the keto and enol forms of HPP by a tautomerase reaction. Although HPP is evidently not a physiological substrate of MIF, many compounds that inhibit this activity in enzymatic assays have been found also to inhibit physiological activities of MIF. Therefore, the MIF‐catalyzed HPP tautomerization reaction is used in initial screening of compounds in the search for inhibitors of MIF physiological activity. The neutron diffraction‐derived crystal structure reveals the position of a water molecule involved in the tautomerization reaction, and also confirms the charged state of lysine‐32 in the active site. The structure confirms the previously proposed catalytic mechanism of MIF, with the N‐terminal Pro‐1 abstracting a proton to generate an HPP enolate intermediate which is subsequently protonated. The structure reported herein reveals that this proton is supplied by a neighboring water molecule. Along with the neutron structure, a room‐temperature synchrotron x‐ray crystal structure reveals a covalent adduct between HPP and MIF. While this adduct is a result of radiation‐induced chemistry, its formation confirms the catalytic role of the active site residue because a covalent complex could only form if the reactive carbon of the substrate is correctly positioned by the enzyme.

Schröder, Gabriela C. [Department of Molecular and↗

Search for singly and pair-produced leptoquarks coupling to third-generation fermions in proton-proton collisions at $ \sqrt{s}$=13 TeV

A search for leptoquarks produced singly and in pairs in proton-proton collisions is presented. We consider the leptoquark (LQ) to be a scalar particle of charge -1/3e coupling to a top quark plus a tau lepton ( t τ ) or a bottom quark plus a neutrino ( b ν ), or a vector particle of charge +2/3e, coupling to t ν or b τ . These choices are motivated by models that can explain a series of anomalies observed in the measurement of B meson decays. In this analysis the signatures t τ ν b and t τ ν are probed, using data recorded by the CMS experiment at the CERN LHC at s = 13 TeV and that correspond to an integrated luminosity of 137 fb -1 . These signatures have not been previously explored in a dedicated search. The data are found to be in agreement with the standard model prediction. Lower limits at 95% confidence level are set on the LQ mass in the range 0.98–1.73 TeV, depending on the LQ spin and its coupling λ to a lepton and a quark, and assuming equal couplings for the two LQ decay modes considered. These are the most stringent constraints to date on the existence of leptoquarks in this scenario.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for strongly interacting massive particles generating trackless jets in proton–proton collisions at $\sqrt{s} = 13\,\text {TeV}$

A search for dark matter in the form of strongly interacting massive particles (SIMPs) using the CMS detector at the LHC is presented. The SIMPs would be produced in pairs that manifest themselves as pairs of jets without tracks. The energy fraction of jets carried by charged particles is used as a key discriminator to suppress efficiently the large multijet background, and the remaining background is estimated directly from data. The search is performed using proton–proton collision data corresponding to an integrated luminosity of 16.1 fb -1 , collected with the CMS detector in 2016. No significant excess of events is observed above the expected background. For the simplified dark matter model under consideration, SIMPs with masses up to 100 GeV are excluded and further sensitivity is explored towards higher masses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

PIP-II 800 MeV Proton Linac Beam Pattern Generator

The PIP2 IT Beam Pattern Generator is the system that synchronizes beam injection and the RF systems between the PIP2 LINAC to the Booster. The RF frequencies of these two accelerator systems are not harmonically related. Synchronization is accomplished by controlling two MEBT Beam Choppers, which select 162.5MHz beam bunches from the LEBT and RFQ to produce an appropriate reduced beam bunch pattern that enables bucket-to-bucket transfer to the Booster RF at 46.46MHz (84th harmonic). This chopping pattern also reduces the beam current to an average of 2mA over the Booster injection, matching the Linac nominal beam current. The BPG also generates the RF frequency/phase reference which the Booster will phase lock to during injection. The BPG is fully programmable, allowing for arbitrary beam patterns with adjustable timing parameters, having a fine adjustment resolution of 38ps. The latter is accomplished using digital signal processing techniques. This paper discusses the design of the BPG, its construction, test results, and operational experience after being integrated into the PIP2 IT test accelerator and concludes with a discussion of the system’s performance and future plans.

43 PARTICLE ACCELERATORS↗

Investigation of Proton Beam-Driven Fusion Reactions Generated by an Ultra-Short Petawatt-Scale Laser Pulse

We present results from a pitcher-catcher experiment utilizing a proton beam generated with nanostructured targets at a petawatt-class, short-pulse laser facility to induce proton-boron fusion reactions in a secondary target. A 45-fs laser pulse with either 400 nm wavelength and 7 J energy, or 800 nm and 14 J, and an intensity of up to 5 × 10 21 W/cm 2 was used to irradiate either thin foil targets or near-solid density, nanostructured targets made of boron nitride (BN) nanotubes. In particular, for 800 nm wavelength irradiation, a BN nanotube target created a proton beam with about five times higher maximum energy and about ten times more protons than a foil target. This proton beam was used to irradiate a thick plate made of boron nitride placed in close proximity to trigger 11 B (p, α) 2α fusion reactions. A suite of diagnostics consisting of Thomson parabola ion spectrometers, postshot nuclear activation measurements, neutron time-of-flight detectors, and differentially filtered solid-state nuclear track detectors were used to measure both the primary proton spectrum and the fusion products. From the primary proton spectrum, we calculated (p, n) and (α,n) reactions in the catcher and compare with our measurements. The nuclear activation results agree quantitatively and neutron signals agree qualitatively with the calculations, giving confidence that primary particle distributions can be obtained from such measurements. These results provide new insights for measuring the ion distributions inside of proton-boron fusion targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Changes within the central stalk of E. coli F 1 F o ATP synthase observed after addition of ATP

F 1 F o ATP synthase functions as a biological generator and makes a major contribution to cellular energy production. Proton flow generates rotation in the F o motor that is transferred to the F 1 motor to catalyze ATP production, with flexible F 1 /F o coupling required for efficient catalysis. F 1 F o ATP synthase can also operate in reverse, hydrolyzing ATP and pumping protons, and in bacteria this function can be regulated by an inhibitory ε subunit. Here we present cryo-EM data showing E. coli F 1 F o ATP synthase in different rotational and inhibited sub-states, observed following incubation with 10 mM MgATP. Our structures demonstrate how structural transitions within the inhibitory ε subunit induce torsional movement in the central stalk, thereby enabling its rotation within the F ο motor. This highlights the importance of the central rotor for flexible coupling of the F 1 and F o motors and provides further insight into the regulatory mechanism mediated by subunit ε.

59 BASIC BIOLOGICAL SCIENCES↗

Proton transfer reactions in donor site mutants of ESR, a retinal protein from Exiguobacterium sibiricum

Light-driven proton transport by microbial retinal proteins such as archaeal bacteriorhodopsin involves carboxylic residues as internal proton donors to the catalytic center which is a retinal Schiff base (SB). The proton donor, Asp96 in bacteriorhodopsin, supplies a proton to the transiently deprotonated Schiff base during the photochemical cycle. Subsequent proton uptake resets the protonated state of the donor. Here this two step process became a distinctive signature of retinal based proton pumps. Similar steps are observed also in many natural variants of bacterial proteorhodopsins and xanthorhodopsins where glutamic acid residues serve as a proton donor. Recently, however, an exception to this rule was found. A retinal protein from Exiguobacterium sibiricum, ESR, contains a Lys residue in place of Asp or Glu, which facilitates proton transfer from the bulk to the SB. Lys96 can be functionally replaced with the more common donor residues, Asp or Glu. Proton transfer to the SB in the mutants containing these replacements (K96E and K96D/A47T) is much faster than in the proteins lacking the proton donor (K96A and similar mutants), and in the case of K96D/A47T, comparable with that in the wild type, indicating that carboxylic residues can replace Lys96 as proton donors in ESR. We show here that there are important differences in the functioning of these residues in ESR from the way Asp96 functions in bacteriorhodopsin. Reprotonation of the SB and proton uptake from the bulk occur almost simultaneously during the M to N transition (as in the wild type ESR at neutral pH), whereas in bacteriorhodopsin these two steps are well separated in time and occur during the M to N and N to O transitions, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hydration-Controlled Proton Transport in Respiratory Complex I

Proton pumping by respiratory complex I is one essential element for generating the proton motive force that drives ATP synthesis in mitochondria. Although it is understood that electrons from NADH reduce ubiquinone at the peripheral arm and that four protons are transferred in the membrane domain, the mechanism by which this redox reaction initiates proton translocation remains unclear. A lateral pathway linking the quinone binding site to the membrane domain via ND1, ND3, and ND4L subunits has been proposed as a possible initial path of an excess proton. However, experimental structures indicate that the hydration connectivity between D66 ND3 and E34 ND4L is comparatively weaker than in neighboring segments, suggesting a potential regulatory point for proton transfer. Using multiscale reactive molecular dynamics (MS-RMD) and a water wire connectivity metric, we directly simulate proton transport through this region as coupled to the hydration by water molecules. Our results reveal that proton transfer is thermodynamically feasible when transient hydration aligns with the presence of an excess proton, revealing the strong coupling between hydration and proton transfer (PT) in this region of Complex I. These findings support a model where proton injection enhances local hydration, dynamically opening the pathway for proton transfer and regulating the onset of proton pumping in Complex I.

Chemical structure↗

Wave generation in the transport of particles from large solar flares

The growth rate of Alfven waves produced by energetic solar protons streaming outward from large solar flares is estimated. The mathematical development is directly analogous to that used to describe the self-containment of cosmic rays in the Galaxy. It is found that sufficient intensities of streaming protons can generate Alfven waves that reduce the scattering mean free path of the particles that produce the waves. This scattering impedes further flow of particles. The estimated growth rate of the waves depends linearly upon the particle intensity so that lower energy particles are much more strongly affected than high-energy particles for typical solar spectra.

Reames, Donald V.↗

Reconstructing magnetic deflections from sets of proton images using differential evolution

Proton imaging is a powerful technique for imaging electromagnetic fields within an experimental volume, in which spatial variations in proton fluence are a result of deflections to proton trajectories due to interaction with the fields. When deflections are large, proton trajectories can overlap, and this nonlinearity creates regions of greatly increased proton fluence on the image, known as caustics. The formation of caustics has been a persistent barrier to reconstructing the underlying fields from proton images. We have developed a new method for reconstructing the path-integrated magnetic fields, which begins to address the problem posed by caustics. Our method uses multiple proton images of the same object, each image at a different energy, to fill in the information gaps and provide some uniqueness when reconstructing caustic features. We use a differential evolution algorithm to iteratively estimate the underlying deflection function, which accurately reproduces the observed proton fluence at multiple proton energies simultaneously. We test this reconstruction method using synthetic proton images generated for three different, cylindrically symmetric field geometries at various field amplitudes and levels of proton statistics and present reconstruction results from a set of experimental images. Here, the method we propose requires no assumption of deflection linearity and can reliably solve for fields underlying linear, nonlinear, and caustic proton image features for the selected geometries and is shown to be fairly robust to noise in the input proton intensity.

47 OTHER INSTRUMENTATION↗

Quantum water desalination: Water generation through separate pathways for protons and hydroxide ions in membranes

Much of the water desalination strategies has focused on designing pores and membranes that transport water and reject ions and other molecules at a high rate. In this paper, we discuss an approach where protons (H+) and hydroxide (OH−) ions are transported via different mechanisms through a porous membrane, and subsequently, once they have been transported through the membrane, they recombine to generate water. 2D materials such as graphene and MoS2 have generated significant interest for applications such as desalination. Here, we explore the applicability of one such 2D material—a cubic Ti2C MXene membrane—in desalination by creating a OH− ion selective pore, which significantly suppresses protons but allows OH− ions and water to go through. The catalytic properties of MXenes enable the dissociation of water on the surface, and the dissociated protons translocate through the membrane via quantum-dominated phenomena such as hopping from interstitial-to-interstitial. OH− ions translocate through a positively charged pore and recombine with protons on the other side of the membrane to form water. Our results indicate that water molecules generated via quantum processes can significantly enhance the overall transport of water across the membrane.

Physics↗