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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

First Evidence of Solar Neutrino Interactions on 13 C

The SNO+ Collaboration reports the first evidence of 8 B solar neutrinos interacting on 13 C nuclei. The charged current interaction proceeds through 13 C +𝜈 𝑒 → 13 N+𝑒 − which is followed, with a 10 minute half life, by 13 N → 13 C +𝑒 + +𝜈 𝑒 . The detection strategy is based on the delayed coincidence between the electron and the positron. Evidence for the charged current signal is presented with a significance of 4.2⁢𝜎. Using the natural abundance of 13 C present in the scintillator, 5.7 metric tons of 13 C over 231 days of data were used in this analysis. The 5.6$^{+3.0}_{−2.3}$ observed events in the data set are consistent with the expectation of 4.7$^{+0.6}_{−1.3}$ events. This result is the second real-time measurement of CC interactions of 8 B neutrinos with nuclei and constitutes the lowest energy observation of neutrino interactions on 13 C generally. This enables the first direct measurement of the CC 𝜈 𝑒 reaction to the ground state of 13 N , yielding an average cross section of (16.1$^{+8.5}_{−6.7}$⁢(stat.)$^{+1.6}_{−2.7}$⁢(syst.))×10 −43 cm 2 over the relevant 8 B solar neutrino energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Observation of time-dependent C P violation and measurement of the branching fraction of B 0 → J / ψ π 0 decays

We present a measurement of the branching fraction and time-dependent charge-parity ( C P ) decay-rate asymmetries in B 0 → J / ψ π 0 decays. The data sample was collected with the Belle II detector at the SuperKEKB asymmetric e + e − collider in 2019–2022 and contains ( 387 ± 6 ) × 10 6 B B ¯ meson pairs from ϒ ( 4 S ) decays. We reconstruct 392 ± 24 signal decays and fit the C P parameters from the distribution of the proper-decay-time difference of the two B mesons. We measure the branching fraction to be ( B 0 → J / ψ π 0 ) = ( 2.00 ± 0.12 ± 0.09 ) × 10 − 5 and the direct and mixing-induced C P asymmetries to be C C P = 0.13 ± 0.12 ± 0.03 and S C P = − 0.88 ± 0.17 ± 0.03 , respectively, where the first uncertainties are statistical and the second are systematic. We observe mixing-induced C P violation with a significance of 5.0 standard deviations for the first time in this mode. Published by the American Physical Society 2025

Adachi, I. (ORCID:0000000322870173)↗
DOE OSTI2024

Evidence of the singly Cabibbo suppressed decay Λ c + → p π 0

Evidence for the singly Cabibbo suppressed decay Λ c + → p π 0 is reported for the first time with a statistical significance of 3.7 σ based on 6.0 fb − 1 of e + e − collision data collected at center-of-mass energies between 4.600 and 4.843 GeV with the BESIII detector at the BEPCII collider. The absolute branching fraction of Λ c + → p π 0 is measured to be ( 1.5 6 − 0.58 + 0.72 ± 0.20 ) × 10 − 4 . Combining with the branching fraction of Λ c + → n π + , ( 6.6 ± 1.3 ) × 10 − 4 , the ratio of the branching fractions of Λ c + → n π + and Λ c + → p π 0 is calculated to be 3.2 − 1.2 + 2.2 . As an important input for the theoretical models describing the decay mechanisms of charmed baryons, our result indicates that the nonfactorizable contributions play an essential role and their interference with the factorizable contributions should not be significant. In addition, the absolute branching fraction of Λ c + → p η is measured to be ( 1.63 ± 0.3 1 stat ± 0.1 1 syst ) × 10 − 3 . Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Search for the radiative transition χ c 1 ( 3872 ) → γ ψ 2 ( 3823 )

Using 9.0 f b − 1 of e + e − collision data collected at center-of-mass energies from 4.178 to 4.278 GeV with the BESIII detector at the BEPCII collider, we perform the first search for the radiative transition χ c 1 ( 3872 ) → γ ψ 2 ( 3823 ) . No signal is observed and the upper limit on the ratio of branching fractions B ( χ c 1 ( 3872 ) → γ ψ 2 ( 3823 ) , ψ 2 ( 3823 ) → γ χ c 1 ) / B ( χ c 1 ( 3872 ) → π + π − J / ψ ) is set at 0.075 at the 90% confidence level. Our result contradicts theoretical predictions under the assumption that the χ c 1 ( 3872 ) is the pure charmonium state χ c 1 ( 2 P ) . Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

A possible misaligned orbit for the young planet AU Mic c

ABSTRACT The AU Microscopii planetary system is only 24 Myr old, and its geometry may provide clues about the early dynamical history of planetary systems. Here, we present the first measurement of the Rossiter–McLaughlin effect for the warm sub-Neptune AU Mic c, using two transits observed simultaneously with the European Southern Observatory's (ESO's) Very Large Telescope (VLT)/Echelle SPectrograph for Rocky Exoplanets and Stable Spectroscopic Observations (ESPRESSO), CHaracterising ExOPlanet Satellite (CHEOPS), and Next-Generation Transit Survey (NGTS). After correcting for flares and for the magnetic activity of the host star, and accounting for transit-timing variations, we find the sky-projected spin–orbit angle of planet c to be in the range $\lambda _{\mathrm{c}}=67.8_{-49.0}^{+31.7}$ degrees (1$\sigma$). We examine the possibility that planet c is misaligned with respect to the orbit of the inner planet b ($\lambda _{\mathrm{b}}=-2.96_{-10.30}^{+10.44}$), and the equatorial plane of the host star, and discuss scenarios that could explain both this and the planet’s high density, including secular interactions with other bodies in the system or a giant impact. We note that a significantly misaligned orbit for planet c is in some degree of tension with the dynamical stability of the system, and with the fact that we see both planets in transit, though these arguments alone do not preclude such an orbit. Further observations would be highly desirable to constrain the spin–orbit angle of planet c more precisely.

Yu, H. (ORCID:0000000209716078)↗
DOE OSTI2025

Measurement of C P asymmetries in Λ b 0 → p h − decays

A search for C P violation in Λ b 0 → p K − and Λ b 0 → p π − decays is presented using the full Run 1 and Run 2 data samples of p p collisions collected with the LHCb detector, corresponding to an integrated luminosity of 9 fb − 1 at center-of-mass energies of 7, 8, and 13 TeV. For the Run 2 data sample, the C P -violating asymmetries are measured to be A C P p K − = ( − 1.4 ± 0.7 ± 0.4 ) % and A C P p π − = ( 0.4 ± 0.9 ± 0.4 ) % , where the first uncertainty is statistical and the second is systematic. Following significant improvements in the evaluation of systematic uncertainties compared to the previous LHCb measurement, the Run 1 dataset is reanalyzed to update the corresponding results. When combining the Run 2 and updated Run 1 measurements, the final results are found to be A C P p K − = ( − 1.1 ± 0.7 ± 0.4 ) % and A C P p π − = ( 0.2 ± 0.8 ± 0.4 ) % , constituting the most precise measurements of these asymmetries to date. © 2025 CERN, for the LHCb Collaboration 2025 CERN

Aaij, R. (ORCID:0000000305331952)↗
DOE OSTI2024

Measurement of C P Violation Observables in D + → K − K + π + Decays

A search for violation of the charge-parity ( C P ) symmetry in the D + → K − K + π + decay is presented, with proton-proton collision data corresponding to an integrated luminosity of 5.4 fb − 1 , collected at a center-of-mass energy of 13 TeV with the LHCb detector. A novel model-independent technique is used to compare the D + and D − phase-space distributions, with instrumental asymmetries subtracted using the D s + → K − K + π + decay as a control channel. The p value for the hypothesis of C P conservation is 8.1%. The C P asymmetry observables A C P | S ϕ π + = ( 0.95 ± 0.4 3 stat ± 0.2 6 syst ) × 10 − 3 and A C P | S K ¯ * 0 K + = ( − 0.26 ± 0.5 6 stat ± 0.1 8 syst ) × 10 − 3 are also measured. These results show no evidence of C P violation and represent the most sensitive search performed through the phase space of a multibody decay. © 2024 CERN, for the LHCb Collaboration 2024 CERN

Aaij, R. (ORCID:0000000305331952)↗
DOE OSTI2025

First Determination of the Spin-Parity of Ξ c ( 3055 ) + , 0 Baryons

The Ξ b 0 ( − ) → Ξ c ( 3055 ) + ( 0 ) ( → D + ( 0 ) Λ ) π − decay chains are observed, and the spin-parity of Ξ c ( 3055 ) + ( 0 ) baryons is determined for the first time. The measurement is performed using proton-proton collision data at a center-of-mass energy of s = 13 TeV , corresponding to an integrated luminosity of 5.4 fb − 1 , recorded by the LHCb experiment between 2016 and 2018. The spin-parity of the Ξ c ( 3055 ) + ( 0 ) baryons is determined to be 3 / 2 + with a significance of more than 6.5 σ ( 3.5 σ ) compared to all other tested hypotheses. The up-down asymmetries of the Ξ b 0 ( − ) → Ξ c ( 3055 ) + ( 0 ) π − transitions are measured to be − 0.92 ± 0.10 ± 0.05 ( − 0.92 ± 0.16 ± 0.22 ), consistent with maximal parity violation, where the first uncertainty is statistical and the second is systematic. These results support the hypothesis that the Ξ c ( 3055 ) + ( 0 ) baryons correspond to the first D -wave λ -mode excitation of the Ξ c flavor triplet. © 2025 CERN, for the LHCb Collaboration 2025 CERN

Aaij, R.↗
DOE OSTI2025

Optical 14 C Tracing for Biological and Pharmaceutical Applications Using Two-Color Cavity Ringdown Spectroscopy

Laser-based 14 C quantitation has been proposed as a more affordable, higher-throughput, table-top alternative to accelerator mass spectrometry (AMS). Here, we demonstrate the feasibility of a mid-IR 14 C detector based on two-color cavity ringdown spectroscopy (2C-CRDS) for low-level 14 C isotope tracing in biological studies. The 2C-CRDS technique quantifies the sample 14 C content by measuring the 14 CO 2 absorption signals from the combusted samples with mid-IR lasers. With 2C-CRDS, we previously demonstrated the most sensitive and accurate optical measurements of 14 CO 2 . The current detection sensitivity and quantitation accuracy of the instrument, at a few parts per quadrillion (where a quadrillion = 10 15 ) 14 C/C mole fraction, is competitive against AMS. Here, by applying the 2C-CRDS 14 C sensor to two applications relevant to 14 C-labeled biochemical analysis and pharmaceutical studies, we demonstrate sub-fCi level (where 1 fCi = 10 –15 Ci) quantitation of sample 14 C activity, with a minimum sample-size requirement of 3 mg of carbon. The current measurement throughput, ~25 min/sample, is largely limited by the sampling efficiency of the online combustion and CO 2 processing interface to the 2C-CRDS instrument. The possibility of a significantly improved measurement throughput of a few minutes per sample is suggested by the results of a flow-through 14 CO 2 sampling scheme. In conclusion, this improved measurement efficiency, combined with the relatively low cost and compact size of a 2C-CRDS sensor, could potentially revolutionize high-sensitivity 14 C tracing in biological, pharmaceutical, and clinical studies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Mechanistic Studies of an Iron-Catalyzed Intermolecular C–H Amination Reaction under Catalytic Conditions and Having a Large KIE

The conversion of C–H bonds into amines by nitrene insertion is an attractive transformation since it is both atom- and step-economical, and provides a direct route to functionalizing hydrocarbons. Using an iron catalyst [{( tBu pyrr) 2 pyr}Fe(OEt 2 )] (1-OEt 2 ) (( tBu pyrr) 2 pyr 2– = 3,5- t Bu 2 -bis(pyrrolyl)pyridine), we recently demonstrated the catalytic conversion of weak C–H bonds into secondary amines using aryl azides as the nitrene source [Zars, E.; Angew. Chem., Int. Ed. 2023, 62, e202311749]. Here, we describe detailed mechanistic studies of this intermolecular C–H amination reaction under catalytic conditions. We find by Variable Time Normalization Analysis (VTNA) that the conversion of xanthene (2-H 2 ) and 2,4,6-trimethyl-phenyl azide ( Me 3) catalyzed by 1-OEt 2 is an overall 3/2 order process, being 1 st order in 2-H 2 and half order in Me 3. A kinetic isotope effect study (KIE) using 2-d 2 results in a significant decrease in the rate (KIE = 61(15)), which clearly implicates the C–H insertion step as rate-determining. Furthermore, treatment of 1-OEt 2 with one equivalent of N 3 -2,6- i Pr 2 –C 6 H 3 yields the mixed-valence C–N coupled product [( tBu pyrr) 2 pyrFe-N═C(2,6 i Pr 2 –Ph)═N-(2,6 i Pr 2 –Ph))Fe tBu pyrrpyr(2-H-pyrr)] (5 iPr ). Quantum chemical calculations confirm the electronic structure of the mixed-valence dimer in 5 iPr and rationalize the Hammett correlation by a delicate balance in the dinuclearization of the catalytically active monomers. Calculations further indicate significant tunneling for the pivotal H atom abstraction by the iron-imidyl complex. Combining all these results allows us to propose a mechanism consisting of imido formation in equilibrium with a radical-coupled diiron system, followed by stepwise C–H insertion via a linear H atom abstraction transition state and subsequent radical rebound.

azides↗
DOE OSTI2026

In situ catalyst activation and regeneration enable energy-efficient high-current CO 2 reduction to ethanol-rich C 2+ mixtures

Electrochemical conversion of dissolved CO 2 in bicarbonate electrolytes, i.e., bicarbonate electrolysis, offers distinct advantages over gas diffusion electrode systems by enabling direct utilization of the CO 2 capture electrolyte while bypassing the energy-intensive CO 2 release step. However, bicarbonate electrolysis faces challenges such as CO 2 mass-transfer limitation, local pH-driven CO 2 depletion, and high cathodic potentials. The higher potential often causes catalyst surface reorganization, leading to a gradual loss of active sites and variations in selectivity during CO 2 reduction. Here, we report a directed, in situ activation and regeneration method that allows precatalysts to equilibrate under dynamic (pulsed) electrolysis conditions. We demonstrate in situ activation of a scalable Cu 2 O/Cu mesh that, under short-width (t = 4 s) pulsed electrolysis, provides stable mixed oxidation states of Cu, favoring the formation of an ethanol-rich crude mixture. The pulsed electrolysis waveform, consisting of six distinct segments, is tuned to form Cu + oxides, which are then reduced to generate local alkaline conditions favoring C–C coupling. This synergistic effect results in FEs of 73% for C2+ products and 39% for ethanol at an applied current density of −150 mA cm −2 and a cathodic potential of −1.45 V (vs. RHE). The overall half-cell energy efficiency is ∼30% for C 2+ products. The in situ Raman experiments confirm the role of pCO 2 R in dynamically regenerating Cu+-containing surface species during pulsed operation, thereby steering selectivity towards C 2+ products. A comprehensive multiscale, multiphysics model is developed to investigate the dynamic behavior of copper surface species (Cu, Cu + , and Cu 2+ ) and local microenvironmental conditions during the pCO 2 R. The results reveal that the coexistence of different copper oxidation states, especially the Cu+ intermediate, is critical in steering selectivity towards multicarbon (C 2+ ) products. The dynamic modulation of surface redox states via tailored pulsing strategies favors C–C coupling pathways by inducing localized alkaline conditions and stabilizing reactive intermediates. This work establishes a predictive modeling platform that links pulse waveform design with mechanistic insights into catalyst state evolution and product selectivity. Overall, this study provides valuable insights into the synergistic effect of in situ activation of pre-catalysts and pulsed electrolysis for higher selectivity towards C 2+ products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Structure and tunable temperature coefficient of magnetization of Mn 4-x Ga x C alloys prepared by induction melting method

The magnetization of most magnetic materials decreases monotonically with increasing temperature. In this work, we found that the temperature coefficient of magnetization of Mn 4-x Ga x C alloys can be tuned from negative values to positive values by controlling the composition x. The antiperovskite type Mn 4-x Ga x C (0.05 ≤ x ≤ 0.75) alloys were prepared by using induction melting method, which is more efficient in large-scale production and obtaining full-density alloys in comparison with the traditional solid-state-reaction method. The values of the temperature coefficient of magnetization of Mn 4-x Ga x C change continuously from negative to positive with decreasing x. The Mn 4-x Ga x C alloys with highly thermal-stable magnetization is expected to present in the composition range of 0.15 < x < 0.25. The saturation magnetization of Mn 4-x Ga x C increases with increasing x, owing to the reduced number of antiferromagnetically coupled Mn atoms at the cubic corner with the face centered Mn atoms. Most Mn 4-x Ga x C alloys with varying x display near-zero remanent magnetization and coercivity at room temperature. The Currie temperature of Mn 4-x Ga x C decreases with increasing x. The x-ray photoelectron spectra of Mn 2p, Ga 2p, and C 1 s reveal distinct splitting due to the diverse chemical states of these atoms at different lattice positions and/or phases. Our work has developed a class of alloys capable of offering a desired temperature coefficient of magnetization across a broad temperature range, thereby offering a method to manipulate the thermodynamics of magnetization.

Magnetic properties↗
DOE OSTI2025

Evolutionary and functional relationships between plant and microbial C 1 metabolism in terrestrial ecosystems

One-carbon (C 1 ) metabolism, centered on the universal methyl donor S-adenosyl methionine (SAM), plays critical roles in biosynthesis, redox regulation, and stress responses across plants and microbes. A recently proposed photosynthetic C 1 pathway links SAM methyl groups directly to RuBisCO-mediated CO 2 assimilation and integrates with nitrogen and sulfur metabolism. Light-dependent SAM synthesis may regulate the methylation of biopolymers and specialized metabolites and help mitigate photorespiratory stress under elevated temperature and drought. Phylogenetic analysis of two core enzymes suggests evolutionary continuity from methylotrophic microbes to land plants, supporting microbial origins via endosymbiotic gene transfer. Beyond intracellular roles, C 1 metabolism drives biosphere–atmosphere exchange via gases such as methane, methanol, formic acid, and formaldehyde, and numerous specialized volatiles synthesized through SAM methylation. S-methylmethionine, a mobile C 1 metabolite, may mediate phloem transport of reduced sulfur, nitrogen, and methyl groups, linking above- and belowground C 1 cycling in plants. Advances in real-time gas sensing now allow the high-frequency quantification of C 1 fluxes from leaves, stems, and soils, highlighting C 1 metabolism as a critical and underrecognized component of terrestrial carbon and nutrient cycling. Given its microbial ancestry and the production of diverse volatile biosignatures, C 1 metabolism may also offer unique insights into life's origins and biosignature detection on exoplanets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Simulating High-Frequency Seismograms in Realistic Earth Models to Better Understand Source Discrimination Based on Differential Magnitudes ( M L− M c)

Discriminating low-yield underground nuclear explosions from small earthquakes is a key task in monitoring nuclear test ban treaties. P/S amplitude ratios have been an effective discriminant for moderate-sized events recorded at regional distances, but it is unclear if they are as effective in discriminating small seismic events recorded at local distances (<150 km). The difference between local magnitude (M L ) and coda duration magnitude (M c ) has been proposed as a new discriminant that may complement P/S amplitude ratios at local distances. Here, in this work, we calculate high-frequency (up to ∼4 Hz) synthetic seismograms at epicentral distances of 0–30 km in realistic models of the Salt Lake basin (Utah, United States) to better understand how variations in source type and depth affect M L −M c values. The Earth models incorporate simplified 1D and deterministic 3D structures, small-wavelength stochastic velocity perturbations, and surface topography. Coda waves are enhanced for the more complicated models compared to the base 1D model, but still underpredict observed durations by about a factor of two, which results in overprediction of amplitude to duration ratios (i.e., M L −M c values) for a near-surface explosion and a 7 km deep earthquake. For both source types, the predicted M L and M c values decrease as source depth increases, and M L −M c shows only minor variation with depth; however, M L −M c is on average ∼0.5 units smaller for explosions than earthquakes. This finding may imply that M L −M c has sensitivity to source type, in addition to being a depth discriminant, but more modeling is needed given the limitations of the current study. Future modeling should incorporate higher-frequency (≳5 Hz) simulations over a larger distance range (0–150 km), where M L and M c are commonly measured, while honoring low shear velocities (<300 m/s) near the surface and sampling a wider range of earthquake and explosion source mechanisms.

Hutchings, Sean J. [Univ. of Utah, Salt Lake City,↗
DOE OSTI2024

The multifaceted role of c-di-AMP signaling in the regulation of Porphyromonas gingivalis lipopolysaccharide structure and function

This study unveils the intricate functional association between cyclic di-3’,5’-adenylic acid (c-di-AMP) signaling, cellular bioenergetics, and the regulation of lipopolysaccharide (LPS) profile in Porphyromonas gingivalis, a Gram-negative obligate anaerobe considered as a keystone pathogen involved in the pathogenesis of chronic periodontitis. Previous research has identified variations in P. gingivalis LPS profile as a major virulence factor, yet the underlying mechanism of its modulation has remained elusive. We employed a comprehensive methodological approach, combining two mutants exhibiting varying levels of c-di-AMP compared to the wild type, alongside an optimized analytical methodology that combines conventional mass spectrometry techniques with a novel approach known as FLAT n . We demonstrate that c-di-AMP acts as a metabolic nexus, connecting bioenergetic status to nuanced shifts in fatty acid and glycosyl profiles within P. gingivalis LPS. Notably, the predicted regulator gene cdaR, serving as a potent regulator of c-di-AMP synthesis, was found essential for producing N-acetylgalactosamine and an unidentified glycolipid class associated with the LPS profile. The multifaceted roles of c-di-AMP in bacterial physiology are underscored, emphasizing its significance in orchestrating adaptive responses to stimuli. Furthermore, our findings illuminate the significance of LPS variations and c-di-AMP signaling in determining the biological activities and immunostimulatory potential of P. gingivalis LPS, promoting a pathoadaptive strategy. The study expands the understanding of c-di-AMP pathways in Gram-negative species, laying a foundation for future investigations into the mechanisms governing variations in LPS structure at the molecular level and their implications for host-pathogen interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Benchmarking fast-neutron response of 7 Li-enriched C 7 LYC scintillators: Simulations and experiment

New insights into the fast neutron response of 7 Li-enriched C 7 LYC scintillators have been obtained through detailed Geant4 simulations of 35 Cl(n,p) and 35 Cl(n, α) reactions that are primarily responsible for the fast neutron response of C 7 LYC. The light output of a 1” x1” C 7 LYC detector was simulated using the Birks equation for light quenching in scintillators. The simulations were benchmarked against neutron scattering data from a 12 C target obtained with a white neutron beam at the Los Alamos LANSCE facility and fourteen 1”x1” C 7 LYC detectors. Incident neutron energies extracted from time-of-flight measurements, and appropriate recoil corrections for the different detector angles were used to map the response of C 7 LYC to mono-energetic neutrons. Resonances in the 35 Cl(n,p) reaction cross-section below 3 MeV incident neutron energy were directly observed in C 7 LYC. The experimental data and simulations are compared with ENDF databases, as well as recent direct cross-section measurements of neutrons scattered from a 35 Cl target. In conclusion, the results suggest a scrutiny of the 35 Cl(n,p) and 35 Cl(n, α) cross sections at low energy in the ENDF library.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Higher levels of mixed-linkage (1,3;1,4)-β-glucan in transgenic grasses may impact soil C processing

Carbohydrates, including mixed-linkage glucan (MLG), in grass cell walls make them a valuable potential feedstock for biofuel production. Hence, the development of transgenic grasses with elevated levels of MLG is being actively pursued worldwide. Changes in chemical and physical root characteristics of MLG-overproducing transgenic plants can affect processing of the root-derived carbon (C) by soil microorganisms, impacting soil C cycling. Here, this study is the first attempt to elucidate the impact of MLG-related genetic modifications on root traits, root decomposition, and soil C processing. We explored four genotypes of Brachypodium ( Brachypodium distachyon ): a wildtype, a loss-of-function mutant with low MLG, an MLG overexpressing line, and a line lacking MLG hydrolase (with high MLG), incubating their roots in soils of two contrasting vegetation histories: monoculture switchgrass and polyculture restored prairie. The four genotypes exhibited contrasting root MLG and soluble sugar concentrations, and different growth phenotypes. Roots with the highest MLG content resulted in a ∼55 % increase in microbial biomass C compared to wildtype in both soils. However, the genotype effects on C mineralization rates were influenced by the vegetation history, with significant effects observed only in the soil from switchgrass but not prairie origin. While further work is required to understand the full impact of MLG-overproducing plants on soil C accrual, our findings suggest that their influence on soil C processes cannot be discounted.

Brachypodium distachyon↗
DOE OSTI2025

Constraining the Low-Temperature Oxidation Mechanism of n -Hexanol through the Detection and Identification of C 6 Elusive Intermediates

Alcohol-based fuels are currently considered to be viable energy carriers for the transportation sector. Consequently, a comprehensive mechanistic understanding of the low-temperature oxidation of alcohols is essential for application in advanced low-temperature compression engines. Here, in this work, a multidimensional approach involving experimental investigations, kinetic modeling, and theoretical calculations was used to provide new insights into the low-temperature oxidation mechanism of a C 6 alcohol, n -hexanol (CH 3 (CH 2 ) 5 OH), through the detection and identification of elusive C 6 intermediates. The oxidation of n-hexanol was investigated in a jet-stirred reactor under stoichiometric conditions (ϕ = 1.0), an initial fuel concentration of 2%, a residence time of 2 s, a temperature range between 500 and 660 K, and a pressure of 700 Torr. The reactants, intermediates, and final products were detected and identified by means of molecular-beam mass spectrometry coupled with single-photon ionization employing tunable synchrotron-generated vacuum ultraviolet radiation. Chemical kinetic simulations were performed using a previously published kinetic model (Togbé et al., Energy Fuels 2010, 11, 5859−5875) to predict the reactivity of n-hexanol and elucidate the predominant formation pathways of the observed low-temperature species. Experimental photoionization efficiency curves in conjunction with ab initio calculations, enabled the identification of important low-temperature species, such as C 6 unsaturated alcohols, C 6 olefinic hydroperoxides, C 6 cyclic ethers, C 6 diones, and C 6 ketohydroperoxides. The results of this study provide valuable insight into the mechanism of the low-temperature oxidation chemistry of n -hexanol, contributing to the development of kinetic models for the low-temperature oxidation of n-hexanol and other long-chain linear alcohols.

alcohols↗