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DOE OSTI2025

Microstructural features and deuterium diffusion in lithium penta-aluminate pellets under He + and D + ion irradiation

Lithium (Li) penta-aluminate (LiAl 5 O 8 ) is investigated as a potential tritium (T) breeding material, with a focus on microstructural response to ion irradiation and deuterium (D) diffusion behavior. Under high-fluence ion irradiation (2 x 10 17 (He + +D + )/cm 2 ) at 773 K, LiAl 5 O 8 exhibits significant disorder on the Li sublattice, as revealed by atomic-resolution scanning transmission electron microscopy, while the Al and O sublattices remain stable, demonstrating strong resistance to structural amorphization. Irradiation induces the formation of platelet-shaped antiphase boundaries (APBs), which may serve as effective D trapping sites. Atom probe tomography suggests the presence of 6 LiD clusters in the mass spectra, though definite conclusions regarding APB composition are hindered by signal overlap and limited data statistics. Time-of-flight secondary ion mass spectrometry reveals that D retention approaches to saturation at 3 x 10 17 (He + +D + )/cm 2 . Isothermal and isochronal annealing studies determine an average diffusivity of 1.6 x 10 -13 at 773 K and an effective activation energy of 0.8 ± 0.1 eV for D migration. Compared to γ-LiAlO 2 , LiAl 5 O 8 demonstrates superior irradiation resistance, minimal Li loss, and enhanced D retention, underscoring its potential as a durable breeder material for T production. In conclusion, these findings provide key insights into the microstructural evolution, defect dynamics, and D retention mechanisms in LiAl 5 O 8 under reactor-relevant conditions.

42 ENGINEERING↗

DOE OSTI2021

A novel d-xylose isomerase from the gut of the wood feeding beetle Odontotaenius disjunctus efficiently expressed in Saccharomyces cerevisiae

Carbohydrate rich substrates such as lignocellulosic hydrolysates remain one of the primary sources of potentially renewable fuel and bulk chemicals. The pentose sugar d-xylose is often present in significant amounts along with hexoses. Saccharomyces cerevisiae can acquire the ability to metabolize d-xylose through expression of heterologous d-xylose isomerase (XI). This enzyme is notoriously difficult to express in S. cerevisiae and only fourteen XIs have been reported to be active so far. We cloned a new d-xylose isomerase derived from microorganisms in the gut of the wood-feeding beetle Odontotaenius disjunctus. Although somewhat homologous to the XI from Piromyces sp. E2, the new gene was identified as bacterial in origin and the host as a Parabacteroides sp. Expression of the new XI in S. cerevisiae resulted in faster aerobic growth than the XI from Piromyces on d-xylose media. The d-xylose isomerization rate conferred by the new XI was also 72% higher, while absolute xylitol production was identical in both strains. Interestingly, increasing concentrations of xylitol (up to 8 g L –1 ) appeared not to inhibit d-xylose consumption. The newly described XI displayed 2.6 times higher specific activity, 37% lower KM for d-xylose, and exhibited higher activity over a broader temperature range, retaining 51% of maximal activity at 30 °C compared with only 29% activity for the Piromyces XI.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Combining different 3-D global and regional seismic wave propagation solvers towards box tomography in the deep Earth

SUMMARY In previous publications, we presented a general framework, which we called ‘box tomography’, that allows the coupling of any two different numerical seismic wave propagation solvers, respectively outside and inside a target region, or ‘box’. The goal of such hybrid wavefield computations is to reduce the cost of computations in the context of full-waveform inversion for structure within the target region, when sources and/or receivers are located at large distances from the box. Previously, we had demonstrated this approach with sources and receivers outside the target region in a 2-D acoustic spherical earth model, and demonstrated and applied this methodology in the 3-D spherical elastic Earth in a continental scale inversion in which all stations were inside the target region. Here we extend the implementation of the approach to the case of a 3-D global elastic earth model in the case where both sources and stations are outside the box. We couple a global 3-D solver, SPECFEM3D_GLOBE, for the computation of the wavefield and Green’s functions in a reference 3-D model, with a regional 3-D solver, RegSEM, for the computation of the wavefield within the box, by means of time-reversal mirrors. We briefly review key theoretical aspects, showing in particular how only the displacement is needed to be stored at the boundary of the box. We provide details of the practical implementation, including the geometrical design of the mirrors, how we deal with different sizes of meshes in the two solvers, and how we address memory-saving through the use of B-spline compression of the recorded wavefield on the mirror. The proposed approach is numerically efficient but also versatile, since adapting it to other solvers is straightforward and does not require any changes in the solver codes themselves, as long as the displacement can be recovered at any point in time and space. We present benchmarks of the hybrid computations against direct computations of the wavefield between a source and an array of stations in a realistic geometry centred in the Yellowstone region, with and without a hypothetical plume within the ‘box’, and with a 1-D or a 3-D background model, down to a period of 20 s. The ultimate goal of this development is for applications in the context of imaging of remote target regions in the deep mantle, such as, for example, Ultra Low Velocity Zones.

Geochemistry & Geophysics↗

DOE OSTI2020

Biophysical and Biochemical Characterization of TP0037, a D-Lactate Dehydrogenase, Supports an Acetogenic Energy Conservation Pathway in Treponema pallidum

A longstanding conundrum in Treponema pallidum biology concerns how the spirochete generates sufficient energy to fulfill its complex pathogenesis processes during human syphilitic infection. For decades, it has been assumed that the bacterium relies solely on glucose catabolism (via glycolysis) for generation of its ATP. However, the organism’s robust motility, believed to be essential for human tissue invasion and dissemination, would require abundant ATP likely not provided by the parsimony of glycolysis. As such, additional ATP generation, either via a chemiosmotic gradient, substrate-level phosphorylation, or both, likely exists in T. pallidum. Along these lines, we have hypothesized that T. pallidum exploits an acetogenic energy conservation pathway that relies on the redox chemistry of flavins. Central to this hypothesis is the apparent existence in T. pallidum of an acetogenic pathway for the conversion of d-lactate to acetate. Herein we have characterized the structural, biophysical, and biochemical properties of the first enzyme (d-lactate dehydrogenase [d-LDH]; TP0037) predicted in this pathway. Binding and enzymatic studies showed that recombinant TP0037 consumed d-lactate and NAD+ to produce pyruvate and NADH. The crystal structure of TP0037 revealed a fold similar to that of other d-acid dehydrogenases; residues in the cofactor-binding and active sites were homologous to those of other known d-LDHs. The crystal structure and solution biophysical experiments revealed the protein’s propensity to dimerize, akin to other d-LDHs. This study is the first to elucidate the enzymatic properties of T. pallidum’s d-LDH, thereby providing new compelling evidence for a flavin-dependent acetogenic energy conservation (ATP-generating) pathway in T. pallidum.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Genomewide and Enzymatic Analysis Reveals Efficient D-Galacturonic Acid Metabolism in the Basidiomycete Yeast Rhodosporidium toruloides

Biorefining of renewable feedstocks is one of the most promising routes to replace fossil-based products. Since many common fermentation hosts, such as Saccharomyces cerevisiae , are naturally unable to convert many component plant cell wall polysaccharides, the identification of organisms with broad catabolism capabilities represents an opportunity to expand the range of substrates used in fermentation biorefinery approaches. The red basidiomycete yeast Rhodosporidium toruloides is a promising and robust host for lipid- and terpene-derived chemicals. Previous studies demonstrated assimilation of a range of substrates, from C 5 /C 6 sugars to aromatic molecules similar to lignin monomers. In the current study, we analyzed the potential of R. toruloides to assimilate d -galacturonic acid, a major sugar in many pectin-rich agricultural waste streams, including sugar beet pulp and citrus peels. d -Galacturonic acid is not a preferred substrate for many fungi, but its metabolism was found to be on par with those of d -glucose and d -xylose in R. toruloides . A genomewide analysis by combined transcriptome sequencing (RNA-seq) and RB-TDNA-seq revealed those genes with high relevance for fitness on d -galacturonic acid. While R. toruloides was found to utilize the nonphosphorylative catabolic pathway known from ascomycetes, the maximal velocities of several enzymes exceeded those previously reported. In addition, an efficient downstream glycerol catabolism and a novel transcription factor were found to be important for d -galacturonic acid utilization. These results set the basis for use of R. toruloides as a potential host for pectin-rich waste conversions and demonstrate its suitability as a model for metabolic studies with basidiomycetes. The switch from the traditional fossil-based industry to a green and sustainable bioeconomy demands the complete utilization of renewable feedstocks. Many currently used bioconversion hosts are unable to utilize major components of plant biomass, warranting the identification of microorganisms with broader catabolic capacity and characterization of their unique biochemical pathways. d -Galacturonic acid is a plant component of bioconversion interest and is the major backbone sugar of pectin, a plant cell wall polysaccharide abundant in soft and young plant tissues. The red basidiomycete and oleaginous yeast Rhodosporidium toruloides has been previously shown to utilize a range of sugars and aromatic molecules. Using state-of-the-art functional genomic methods and physiological and biochemical assays, we elucidated the molecular basis underlying the efficient metabolism of d -galacturonic acid. This study identified an efficient pathway for uronic acid conversion to guide future engineering efforts and represents the first detailed metabolic analysis of pectin metabolism in a basidiomycete fungus.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Anomalies of non-invertible symmetries in (3+1)d

Anomalies of global symmetries are important tools for understanding the dynamics of quantum systems. We investigate anomalies of non-invertible symmetries in 3+1d using 4+1d bulk topological quantum field theories given by Abelian two-form gauge theories, with a 0-form permutation symmetry. Gauging the 0-form symmetry gives the 4+1d “inflow” symmetry topological field theory for the non-invertible symmetry. We find a two levels of anomalies: (1) the bulk may fail to have an appropriate set of loop excitations which can condense to trivialize the boundary dynamics, and (2) the “Frobenius-Schur indicator” of the non-invertible symmetry (generalizing the Frobenius-Schur indicator of 1+1d fusion categories) may be incompatible with trivial boundary dynamics. As a consequence we derive conditions for non-invertible symmetries in 3+1d to be compatible with symmetric gapped phases, and invertible gapped phases. Along the way, we see that the defects characterizing \mathbb{Z}_{4} ℤ 4 ordinary symmetry host worldvolume theories with time-reversal symmetry \mathsf{T} 𝖳 obeying the algebra \mathsf{T}^{2}=C 𝖳 2 = C or \mathsf{T}^{2}=(-1)^{F}C, 𝖳 2 = ( − 1 ) F C , with C C a unitary charge conjugation symmetry. We classify the anomalies of this symmetry algebra in 2+1d and further use these ideas to construct 2+1d topological orders with non-invertible time-reversal symmetry that permutes anyons. As a concrete realization of our general discussion, we construct new lattice Hamiltonian models in 3+1d with non-invertible symmetry, and constrain their dynamics.

Córdova, Clay↗

DOE OSTI2024

Stream water sourcing from high-elevation snowpack inferred from stable isotopes of water: a novel application of d-excess values

About 80 % of the precipitation at the Colorado River's headwaters is snow, and the resulting snowmelt-driven hydrograph is a crucial water source for about 40 million people. Snowmelt from alpine and subalpine snowpack contributes substantially to groundwater recharge and river flow. However, the dynamics of snowmelt progression are not well understood because observations of the high-elevation snowpack are difficult due to challenging access in complex mountainous terrain as well as the cost and labor intensity of currently available methods. We present a novel approach to infer the processes and dynamics of high-elevation snowmelt contributions predicated upon stable hydrogen and oxygen isotope ratios observed in streamflow. We show that deuterium-excess (d-excess) values of stream water could serve as a comparatively cost-effective proxy for a catchment-integrated signal of high-elevation snowmelt contributions to catchment runoff. We sampled stable hydrogen and oxygen isotope ratios of the precipitation, snowpack, and stream water in the East River, a headwater catchment of the Colorado River, and the stream water of larger catchments at sites on the Gunnison River and Colorado River. The d-excess of snowpack increased with elevation; the upper subalpine and alpine snowpack (> 3200 m) had substantially higher d-excess compared to lower elevations (< 3200 m) in the study area. The d-excess values of stream water reflected this because d-excess values increased as the higher-elevation snowpack contributed more to stream water generation later in the snowmelt/runoff season. End-member mixing analyses based on the d-excess data showed that the share of high-elevation snowmelt contributions within the snowmelt hydrograph was on average 44 % and generally increased during melt period progression, up to 70 %. The observed pattern was consistent during 6 years for the East River, and a similar relation was found for the larger catchments on the Gunnison and Colorado rivers. High-elevation snowpack contributions were found to be higher for years with lower snowpack and warmer spring temperatures. Thus, we conclude that the d-excess of stream water is a viable proxy to observe changes in high-elevation snowmelt contributions in catchments at various scales. Inter-catchment comparisons and temporal trends of the d-excess of stream water could therefore serve as a catchment-integrated measure to monitor if mountain systems rely on high-elevation water inputs more during snow drought compared to years of average snowpack depths.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Measurement of the CKM angle γ in B ± → DK ± and B ± → Dπ ± decays with D → $ {K}_{\mathrm{S}}^0 $h + h -

A measurement of CP -violating observables is performed using the decays B ± → DK ± and B ± → Dπ ± , where the D meson is reconstructed in one of the self-conjugate three-body final states $ {K}_{\mathrm{S}}^0 $ π + π - and $ {K}_{\mathrm{S}}^0 $ K + K - (commonly denoted $ {K}_{\mathrm{S}}^0 $ h + h - ). The decays are analysed in bins of the D -decay phase space, leading to a measurement that is independent of the modelling of the D -decay amplitude. The observables are inter- preted in terms of the CKM angle γ . Using a data sample corresponding to an integrated luminosity of 9 fb - 1 collected in proton-proton collisions at centre-of mass energies of 7, 8, and 13 TeV with the LHCb experiment, γ is measured to be $ \left({68.7}_{-5.1}^{+5.2}\right){}^{\circ} $ . The hadronic parameters $ {r}_B^{D K},{r}_B^{D\pi},{\delta}_B^{D K},\kern0.5em \mathrm{and}\kern0.5em {\delta}_B^{D\pi} $ , which are the ratios and strong-phase differences of the suppressed and favoured B ± decays, are also reported.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Measurement of the branching fraction of the ${{B} ^0} {\rightarrow }{{D} ^+_{s}} {{\pi } ^-} $ decay

A branching fraction measurement of the ${{B} ^0} {\rightarrow }{{D} ^+_{s}} {{\pi } ^-} $ decay is presented using proton–proton collision data collected with the LHCb experiment, corresponding to an integrated luminosity of $5.0\,\text {fb} ^{-1} $ . The branching fraction is found to be ${\mathcal {B}} ({{B} ^0} {\rightarrow }{{D} ^+_{s}} {{\pi } ^-} ) =(19.4 \pm $ $1.8\pm 1.3 \pm 1.2)\times 10^{-6}$ , where the first uncertainty is statistical, the second systematic and the third is due to the uncertainty on the ${{B} ^0} {\rightarrow }{{D} ^-} {{\pi } ^+} $ , ${{D} ^+_{s}} {\rightarrow }{{K} ^+} {{K} ^-} {{\pi } ^+} $ and ${{D} ^-} {\rightarrow }{{K} ^+} {{\pi } ^-} {{\pi } ^-} $ branching fractions. This is the most precise single measurement of this quantity to date. As this decay proceeds through a single amplitude involving a $b{\rightarrow }u$ charged-current transition, the result provides information on non-factorisable strong interaction effects and the magnitude of the Cabibbo–Kobayashi–Maskawa matrix element $V_{ub}$ . Additionally, the collision energy dependence of the hadronisation-fraction ratio $f_s/f_d$ is measured through ${{\overline{B}} {}^0_{s}} {\rightarrow }{{D} ^+_{s}} {{\pi } ^-} $ and ${{B} ^0} {\rightarrow }{{D} ^-} {{\pi } ^+} $ decays.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Test of lepton flavor universality with a measurement of R ( D * ) using hadronic B tagging at the Belle II experiment

The ratio of branching fractions R ( D * ) = B ( B ¯ → D * τ − ν ¯ τ ) / B ( B ¯ → D * ℓ − ν ¯ ℓ ) , where ℓ is an electron or muon, is measured using a Belle II data sample with an integrated luminosity of 189 fb − 1 at the SuperKEKB asymmetric-energy e + e − collider. Data is collected at the ϒ ( 4 S ) resonance, and one B meson in the ϒ ( 4 S ) → B B ¯ decay is fully reconstructed in hadronic decay modes. The accompanying signal B meson is reconstructed as B ¯ → D * τ − ν ¯ τ using leptonic τ decays. The normalization decay, B ¯ → D * ℓ − ν ¯ ℓ , produces the same observable final-state particles. The ratio of branching fractions is extracted in a simultaneous fit to two signal-discriminating variables in both channels and yields R ( D * ) = 0.262 − 0.039 + 0.041 ( stat ) − 0.032 + 0.035 ( syst ) . This result is consistent with the current world average and with Standard Model predictions. Published by the American Physical Society 2024

Adachi, I. (ORCID:0000000322870173)↗

DOE OSTI2023

Measurement of differential distributions of B → D*$\ell\bar{v}_{\ell}$ and implications on | V cb |

We present a measurement of the differential shapes of exclusive B → D*$\ell\bar{v}_{\ell}$ (B = B - , $\bar{B}$ 0 and $\ell$ = e, μ) decays with hadronic tag-side reconstruction for the full 711 fb -1 Belle dataset. We extract the Caprini-Lellouch-Neubert (CLN) and Boyd-Grinstein-Lebed (BGL) form factor parameters and use an external input for the absolute branching fractions to determine the Cabibbo-Kobayashi-Maskawa matrix element and find |V cb | CLN = (40.2 ± 0.9) x 10 -3 and |V cb | BGL = (40.7 ± 1.0) x 10 -3 with the zero-recoil lattice QCD point $\mathcal{F}$(1) = 0.906 ± 0.013. We also perform a study of the impact of beyond zero-recoil lattice QCD calculations on the |V cb | determinations. Additionally, we present the lepton-flavor universality ratio R eμ = $\mathcal{B}$(B → D*e$\bar{v}$ e )/$\mathcal{B}$(B → D*μ$\bar{v}$ μ ) = 0.993 ± 0.023 ± 0.023, the electron and muon forwardbackward asymmetry and their difference ΔA FB = 0.028 ± 0.028 ± 0.008, and the electron and muon D* longitudinal polarization fraction and their difference ΔF$^{D*}_L$ = 0.030 ± 0.025 ± 0.007. The uncertainties quoted correspond to the statistical and systematic uncertainties, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Combined analysis of Belle and Belle II data to determine the CKM angle φ 3 using B + → D($ {K}_S^0 $h + h – )h + decays

We present a measurement of the Cabibbo-Kobayashi-Maskawa unitarity triangle angle φ 3 (also known as γ) using a model-independent Dalitz plot analysis of B + → D($ {K}_S^0 $h + h – )h + , where D is either a D o or D o ¯ meson and h is either a π or K. This is the first measurement that simultaneously uses Belle and Belle II data, combining samples corresponding to integrated luminosities of 711 fb –1 and 128 fb –1 , respectively. All data were accumulated from energy-asymmetric e + e – collisions at a centre-of-mass energy corresponding to the mass of the Υ(4S) resonance. We measure φ 3 = (78.4 ± 11.4 ± 0.5 ± 1.0)°, where the first uncertainty is statistical, the second is the experimental systematic uncertainty and the third is from the uncertainties on external measurements of the D-decay strong-phase parameters.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Measurements of azimuthal anisotropy of nonprompt D 0 mesons in PbPb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV

Measurements of the elliptic ($v$ 2 ) and triangular ($v$ 3 ) azimuthal anisotropy coefficients are presented for D 0 mesons produced in b hadron decays (nonprompt D 0 mesons) in lead-lead collisions at $\sqrt{s_{NN}}$ = 5.02 TeV. The results are compared with previously published charm meson anisotropies measured using prompt D 0 mesons. The data were collected with the CMS detector in 2018 with an integrated luminosity of 0.58 nb –1 . Azimuthal anisotropy is sensitive to the interactions of quarks with the hot and dense medium created in heavy ion collisions. Comparing results for prompt and nonprompt D 0 mesons can assist in understanding the mass dependence of these interactions. The nonprompt results show lower magnitudes of $v$ 2 and $v$ 3 and weaker dependences on the meson transverse momentum and collision centrality than those found for prompt D 0 mesons. The results are in agreement with theoretical predictions that include a mass dependence in the interactions of quarks with the medium

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Measurement of g 9/2 strength in the stretched 8 – state and other negative parity states via the 51 V (d,p) 52 V reaction

We performed a measurement of the 51 V (d,p) 52 V reaction at 16 MeV using the Florida State University Super-Enge Split-Pole Spectrograph (SE-SPS) to search for single-neutron transfer strength for the g 9/2 intruder orbit. Measurements of νg 9/2 strength with (d, p) reactions in the N = 29 isotones 49 Ca, 51 Ti, 53 Cr, and 55 Fe have concluded that much of the expected νg 9/2 strength is “missing”; that is, the summed strength is much smaller than the sum rule. In odd-odd N = 29 isotones, we expect a significant amount of νg 9/2 strength to be located in the “stretched” 8 – states with π $f$$^{n}_{7/2}$νg 9/2 structure that were systematically observed in the odd-odd N = 29 isotones via the (α,d) reaction. 52 V is the only one of these odd-odd isotones in which a stable target is available for single-neutron transfer reactions. We report on a determination of νg 9/2 strength for the stretched 8 – state and ten other negative parity states populated via L = 4 transfer in the 51 V(d, p) 52 V reaction. Furthermore, this is the first measurement of spectroscopic strength for L = 4 states in 52 V via (d, p). In total, the L = 4 strength observed here sums to only 28.9(11)% of the sum rule for g 9/2 neutron strength, a result that is consistent with the summed strengths observed in recent (d, p) measurements of the even-Z N = 29 isotones 51 Ti, 53 Cr, and 55 Fe. The (α,3 He) reaction and the use of particle-γ coincidences would provide more sensitivity to search for the missing g 9/2 strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Search for D 0 meson decays to π + π − e + e − and K + K − e + e − final states

A search for D 0 meson decays to the π + π − e + e − and K + K − e + e − final states is reported using a sample of proton-proton collisions collected by the LHCb experiment at a center-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 6 fb − 1 . The decay D 0 → π + π − e + e − is observed for the first time when requiring that the two electrons are consistent with coming from the decay of a ϕ or ρ 0 / ω meson. The corresponding branching fractions are measured relative to the D 0 → K − π − [ e + e − ] ρ 0 / ω decay, where the two electrons are consistent with coming from the decay of a ρ 0 or ω meson. No evidence is found for the D 0 → K + K − e + e − decay and world-best limits are set on its branching fraction. The results are compared to, and found to be consistent with, the branching fractions of the D 0 → π + π − μ + μ − and D 0 → K + K − μ + μ − decays recently measured by LHCb and confirm lepton universality at the current precision. © 2025 CERN, for the LHCb Collaboration 2025 CERN

Aaij, R. (ORCID:0000000305331952)↗

DOE OSTI2024

Search for Time-Dependent C P Violation in D 0 → π + π − π 0 Decays

A measurement of time-dependent C P violation in D 0 → π + π − π 0 decays using a p p collision data sample collected by the LHCb experiment in 2012 and from 2015 to 2018, corresponding to an integrated luminosity of 7.7 fb − 1 , is presented. The initial flavor of each D 0 candidate is determined from the charge of the pion produced in the D * ( 2010 ) + → D 0 π + decay. The decay D 0 → K − π + π 0 is used as a control channel to validate the measurement procedure. The gradient of the time-dependent C P asymmetry Δ Y in D 0 → π + π − π 0 decays is measured to be Δ Y = ( − 1.3 ± 6.3 ± 2.4 ) × 10 − 4 , where the first uncertainty is statistical and the second is systematic, which is compatible with C P conservation. © 2024 CERN, for the LHCb Collaboration 2024 CERN

Aaij, R. (ORCID:0000000305331952)↗

DOE OSTI2024

Overview of results from the 2023 DIII-D negative triangularity campaign

Negative triangularity (NT) is a potentially transformative configuration for tokamak-based fusion energy with its high-performance core, edge localized mode (ELM)-free edge, and low-field-side divertors that could readily scale to an integrated reactor solution. Previous NT work on the TCV and DIII-D tokamaks motivated the installation of graphite-tile armor on the low-field-side lower outer wall of DIII-D. A dedicated multiple-week experimental campaign was conducted to qualify the NT scenario for future reactors. During the DIII-D NT campaign, high confinement ($H_\mathrm{98y,2}\gtrsim$ 1), high current ($q_\mathrm{95} \lt$ 3), and high normalized pressure plasmas ($\beta_\mathrm{N} \gt$ 2.5) were simultaneously attained in strongly NT-shaped discharges with average triangularity $\delta_\mathrm{avg}$ = −0.5 that were stably controlled. Experiments covered a wide range of DIII-D operational space (plasma current, toroidal field, electron density and pressure) and did not trigger an ELM in a single discharge as long as sufficiently strong NT was maintained; in contrast, to other high-performance ELM-suppression scenarios that have narrower operating windows. These strong NT plasmas had a lower outer divertor X-point shape and maintained a non-ELMing edge with an electron temperature pedestal, exceeding that of typical L-mode plasmas. Also, the following was achieved during the campaign: high normalized density ($n_\mathrm{e}$/$n_\mathrm{GW}$ of at least 1.7), particle confinement comparable to energy confinement with $Z_\mathrm{eff}\sim2$ , a detached divertor without impurity seeding, and a mantle radiation scenario using extrinsic impurities. These results are promising for a NT fusion pilot plant but further questions on confinement extrapolation and core-edge integration remain, which motivate future NT studies on DIII-D and beyond.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Mutation of an active site-adjacent residue in VIM indirectly dictates interactions with and blunts inhibition by D-captopril

Activity assays and X-ray crystallographic studies were undertaken to elucidate the inhibitory mechanism of captopril stereoisomers on Verona integron-encoded metallo-β-lactamases, specifically VIM-20, VIM-31, and VIM-15. All three VIM-2-like variants (VIM-20, VIM-31, and VIM-15) and VIM-2 expressed in Escherichia coli exhibited catalytic activity with comparable steady-state kinetic parameters. Among the tested thiol drugs (L- and D-captopril, D,L-thiorphan, and 2,3-dimercaprol), IC50 analyses indicated that D-captopril and 2,3-dimercaprol were more potent inhibitors against the VIM enzymes examined in this study. Notably, the IC50 value of D-captopril against VIM-31 was an exception, closely resembling that of L-captopril. To elucidate this exceptional inhibitory potency of D-captopril and its binding mode in the active site of VIM-31, high-resolution crystal structures of VIM-20, VIM-31, and VIM-15 in complex with both L- and D-captopril are reported. These findings will help evaluate whether the identified potent inhibitor D-captopril could be further developed as a pan inhibitor targeting the VIM-family enzymes.

Silwal, Surendra Bikram↗