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At least 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Characterizing Greater Houston's Aerosol by Air Mass During TRACER

During the TRacking Aerosol and Convection interaction ExpeRiment (TRACER), a suite of aerosol and cloud measurements were made using the Texas A&M Rapid Onsite Atmospheric Measurement Van (ROAM-V) mobile instrument platform. Joint ROAM-V/radiosonde deployments focused on sampling polluted marine and continental air masses to understand summertime convection along and across the sea-breeze front as it propagated through Houston. The polluted marine air mass at Seawolf Park, Galveston, TX was defined by two characteristic aerosol populations. Although the background total particle concentrations averaged 2,500 cm −3 , the air mass was also influenced by frequent but irregular periods of ship emission with significantly higher aerosol concentrations at times exceeding 34,000 cm −3 . Ship emission influenced periods, typically lasting <10 min, contained smaller, less hygroscopic particles resulting in a 69% relative decline in cloud condensation nuclei (CCN) activated fraction at 1% supersaturation compared to background periods. Measurements in continental air masses northwest of Houston revealed an average aerosol concentration of 5,208 cm −3 with a κ value near 0.1 reasonably describing the CCN population, independent of particle size. In continental air masses, substantial differences in particle size and CCN activation over small distances (<42 miles between sites) suggest considerable site-to-site variability in addition to the expected day-to-day differences. This small-scale variability makes it difficult to generalize continental air mass aerosol properties. Both coastal and inland locations had effective ice nucleating particles, but inland deployments observed the warmest nucleation temperature at −15.6°C compared to −17.8°C close to the coast. These measurements can reduce uncertainties in regional convection allowing models to improve understanding of aerosol-cloud interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Cooking methods and kitchen ventilation availability, usage, perceived performance and potential in Canadian homes

Cooking is a substantial contributor to air pollutant exposures in many residences. Effective use of kitchen ventilation can mitigate exposure; however, information on its availability, usage, and potential to increase its use across the population has been limited. This study aimed to obtain nationally representative information on cooking methods, kitchen ventilation availability and usage, and the potential for education to increase effective usage. An online survey was sent to a representative sample of Canadian homes to collect data on cooking methods, the presence and use of mechanical kitchen ventilation devices, perceived device performance, and willingness to implement mitigation strategies. Responses were weighted to match key demographic factors and analyzed using non-parametric statistics. Among the 4500 respondents, 90% had mechanical ventilation devices over the cooktop (66% of which were vented to the outside), and 30% reported regularly using their devices. Devices were used most often for deep-frying, followed by stir-frying, sautéing or pan-frying, indoor grilling, boiling or steaming. Almost half reported rarely or never using their ventilation devices during baking or oven self-cleaning. Only 10% were fully satisfied with their devices. More frequent use was associated with the device being vented to the outdoors, having more than two speed settings, quiet operation if only one speed, covering over half of the cooktop, and higher perceived effectiveness. After being informed of the benefits of kitchen ventilation, 64% indicated they would consider using their devices more often, preferentially using back burners with ventilation, and/or using higher ventilation device settings when needed. This study provides population-representative data on the most used cooking methods, kitchen ventilation availability and usage, and influencing factors in Canadian homes. Such data are needed for exposure assessments and evaluating the potential to mitigate cooking-related pollutant exposures via more effective use of kitchen ventilation. The data can be reasonably extrapolated to the United States, given the similarities in residential construction practices and cultural norms between the two countries.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy

The conversion of photon energy into other energetic forms in molecules is accompanied by charge moving on ultrafast timescales. We directly observe the charge motion at a specific site in an electronically excited molecule using time-resolved x-ray photoelectron spectroscopy (TR-XPS). We extend the concept of static chemical shift from conventional XPS by the excited-state chemical shift (ESCS), which is connected to the charge in the framework of a potential model. This allows us to invert TR-XPS spectra to the dynamic charge at a specific atom. We demonstrate the power of TR-XPS by using sulphur 2p-core-electron-emission probing to study the UV-excited dynamics of 2-thiouracil. The method allows us to discover that a major part of the population relaxes to the molecular ground state within 220–250 fs. In addition, a 250-fs oscillation, visible in the kinetic energy of the TR-XPS, reveals a coherent exchange of population among electronic states.

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

Cross-protective antibodies against common endemic respiratory viruses

Respiratory syncytial virus (RSV), human metapneumovirus (HMPV), and human parainfluenza virus types one (HPIV1) and three (HPIV3) can cause severe disease and death in immunocompromised patients, the elderly, and those with underlying lung disease. A protective monoclonal antibody exists for RSV, but clinical use is limited to high-risk infant populations. Hence, therapeutic options for these viruses in vulnerable patient populations are currently limited. Here, we present the discovery, in vitro characterization, and in vivo efficacy testing of two cross-neutralizing monoclonal antibodies, one targeting both HPIV3 and HPIV1 and the other targeting both RSV and HMPV. The 3 × 1 antibody is capable of targeting multiple parainfluenza viruses; the MxR antibody shares features with other previously reported monoclonal antibodies that are capable of neutralizing both RSV and HMPV. We obtained structures using cryo-electron microscopy of these antibodies in complex with their antigens at 3.62 Å resolution for 3 × 1 bound to HPIV3 and at 2.24 Å for MxR bound to RSV, providing a structural basis for in vitro binding and neutralization. Together, a cocktail of 3 × 1 and MxR could have clinical utility in providing broad protection against four of the respiratory viruses that cause significant morbidity and mortality in at-risk individuals.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Swift and extensive Omicron outbreak in China after sudden exit from ‘zero-COVID’ policy

In late 2022, China transitioned from a strict ‘zero-COVID’ policy to rapidly abandoning nearly all interventions and data reporting. This raised great concern about the presumably-rapid but unreported spread of the SARS-CoV-2 Omicron variant in a very large population of very low pre-existing immunity. By modeling a combination of case count and survey data, we show that Omicron spread extremely rapidly, at a rate of 0.42/day (95% credibility interval: [0.35, 0.51]/day), translating to an epidemic doubling time of 1.6 days ([1.6, 2.0] days) after the full exit from zero-COVID on Dec. 7, 2022. Consequently, we estimate that the vast majority of the population (97% [95%, 99%], sensitivity analysis lower limit of 90%) was infected during December, with the nation-wide epidemic peaking on Dec. 23. Overall, our results highlight the extremely high transmissibility of the variant and the importance of proper design of intervention exit strategies to avoid large infection waves.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Excitonic Mott insulator in a Bose-Fermi-Hubbard system of moiré WS 2 /WSe 2 heterobilayer

Understanding the Hubbard model is crucial for investigating various quantum many-body states and its fermionic and bosonic versions have been largely realized separately. Recently, transition metal dichalcogenides heterobilayers have emerged as a promising platform for simulating the rich physics of the Hubbard model. In this work, we explore the interplay between fermionic and bosonic populations, using a WS 2 /WSe 2 heterobilayer device that hosts this hybrid particle density. We independently tune the fermionic and bosonic populations by electronic doping and optical injection of electron-hole pairs, respectively. This enables us to form strongly interacting excitons that are manifested in a large energy gap in the photoluminescence spectrum. The incompressibility of excitons is further corroborated by observing a suppression of exciton diffusion with increasing pump intensity, as opposed to the expected behavior of a weakly interacting gas of bosons, suggesting the formation of a bosonic Mott insulator. We explain our observations using a two-band model including phase space filling. Our system provides a controllable approach to the exploration of quantum many-body effects in the generalized Bose-Fermi-Hubbard model.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state

Excitation energy transfer (EET) is a key photoinduced process in biological chromophoric assemblies. Here we investigate the factors which can drive EET into efficient ultrafast sub-ps regimes. We demonstrate how a coherent transport of electronic population could facilitate this in water solvated NADH coenzyme and uncover the role of an intermediate dark charge-transfer state. High temporal resolution ultrafast optical spectroscopy gives a 54 ± 11 fs time constant for the EET process. Nonadiabatic quantum dynamical simulations computed through the time-evolution of multidimensional wavepackets suggest that the population transfer is mediated by photoexcited molecular vibrations due to strong coupling between the electronic states. The polar aqueous solvent environment leads to the active participation of a dark charge transfer state, accelerating the vibronically coherent EET process in favorably stacked conformers and solvent cavities. Our work demonstrates how the interplay of structural and environmental factors leads to diverse pathways for the EET process in flexible heterodimers and provides general insights relevant for coherent EET processes in stacked multichromophoric aggregates like DNA strands.

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

Variations of organic functional chemistry in carbonaceous matter from the asteroid 162173 Ryugu

Abstract Primordial carbon delivered to the early earth by asteroids and meteorites provided a diverse source of extraterrestrial organics from pre-existing simple organic compounds, complex solar-irradiated macromolecules, and macromolecules from extended hydrothermal processing. Surface regolith collected by the Hayabusa2 spacecraft from the carbon-rich asteroid 162173 Ryugu present a unique opportunity to untangle the sources and processing history of carbonaceous matter. Here we show carbonaceous grains in Ryugu can be classified into three main populations defined by spectral shape: Highly aromatic (HA), Alkyl-Aromatic (AA), and IOM-like (IL). These carbon populations may be related to primordial chemistry, since C and N isotopic compositions vary between the three groups. Diffuse carbon is occasionally dominated by molecular carbonate preferentially associated with coarse-grained phyllosilicate minerals. Compared to related carbonaceous meteorites, the greater diversity of organic functional chemistry in Ryugu indicate the pristine condition of these asteroid samples.

Science & Technology - Other Topics↗
DOE OSTI2024

Dynamic gain and frequency comb formation in exceptional-point lasers

Abstract Exceptional points (EPs)—singularities in the parameter space of non-Hermitian systems where two nearby eigenmodes coalesce—feature unique properties with applications such as sensitivity enhancement and chiral emission. Existing realizations of EP lasers operate with static populations in the gain medium. By analyzing the full-wave Maxwell–Bloch equations, here we show that in a laser operating sufficiently close to an EP, the nonlinear gain will spontaneously induce a multi-spectral multi-modal instability above a pump threshold, which initiates an oscillating population inversion and generates a frequency comb. The efficiency of comb generation is enhanced by both the spectral degeneracy and the spatial coalescence of modes near an EP. Such an “EP comb” has a widely tunable repetition rate, self-starts without external modulators or a continuous-wave pump, and can be realized with an ultra-compact footprint. We develop an exact solution of the Maxwell–Bloch equations with an oscillating inversion, describing all spatiotemporal properties of the EP comb as a limit cycle. We numerically illustrate this phenomenon in a 5-μm-long gain-loss coupled AlGaAs cavity and adjust the EP comb repetition rate from 20 to 27 GHz. This work provides a rigorous spatiotemporal description of the rich laser behaviors that arise from the interplay between the non-Hermiticity, nonlinearity, and dynamics of a gain medium.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Developmental assembly of multi-component polymer systems through interconnected synthetic gene networks in vitro

Abstract Living cells regulate the dynamics of developmental events through interconnected signaling systems that activate and deactivate inert precursors. This suggests that similarly, synthetic biomaterials could be designed to develop over time by using chemical reaction networks to regulate the availability of assembling components. Here we demonstrate how the sequential activation or deactivation of distinct DNA building blocks can be modularly coordinated to form distinct populations of self-assembling polymers using a transcriptional signaling cascade of synthetic genes. Our building blocks are DNA tiles that polymerize into nanotubes, and whose assembly can be controlled by RNA molecules produced by synthetic genes that target the tile interaction domains. To achieve different RNA production rates, we use a strategy based on promoter “nicking” and strand displacement. By changing the way the genes are cascaded and the RNA levels, we demonstrate that we can obtain spatially and temporally different outcomes in nanotube assembly, including random DNA polymers, block polymers, and as well as distinct autonomous formation and dissolution of distinct polymer populations. Our work demonstrates a way to construct autonomous supramolecular materials whose properties depend on the timing of molecular instructions for self-assembly, and can be immediately extended to a variety of other nucleic acid circuits and assemblies.

Science & Technology - Other Topics↗
DOE OSTI2025

Rising infrastructure inequalities accompany urbanization and economic development

Impending global urban population growth is expected to occur with considerable infrastructure expansion. However, our understanding of attendant infrastructure inequalities is limited, highlighting a critical knowledge gap in the sustainable development implications of urbanization. Using satellite data from 2000 to 2019, we examine country-level population-adjusted biases in infrastructure distribution within and between regions of varying urbanization levels and derive four key findings. First, we find long-run positive associations between infrastructure inequalities and both urbanization and economic development. Second, our estimates highlight increasing infrastructure inequalities across most of the countries examined. Third, we find greater future infrastructure inequality increases in the global south, where inequalities will rise more in countries with substantial urban primacy. Fourth, we find that infrastructure inequality may evolve differently than economic inequalities. Overall, advancing sustainable development vis-à-vis urbanization and economic development will require intentional infrastructure planning for spatial equity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Moiré-controllable exciton localization and dynamics through spatially-modulated inter- and intralayer excitons in a MoSe 2 /WS 2 heterobilayer

Moiré heterobilayers exhibiting spatially varying exciton localization that can be precisely controlled through the twist angle have emerged as exciting platforms for studying complex quantum phenomena. Here, we study the exciton landscape in MoSe 2 /WS 2 heterobilayers through synergistic first-principles GW plus Bethe Salpeter equation (GW-BSE) calculations and complementary time- and angle-resolved photoemission spectroscopy (tr-ARPES). We find that the MoSe 2 /WS 2 heterobilayer has a type I band alignment at large twist angles. In contrast, at small twist angles, there exist simultaneous spatially modulated regions of local type I band alignment, hosting bright intralayer excitons, and local type II band alignment, hosting long-lived interlayer excitons, due to lattice reconstruction in different high-symmetry regions. In tr-ARPES this manifests in the observation of long-lived excitons with electron population in only MoSe 2 at large twist angles, while in samples with small twist angles, signals from two distinct long-lived exciton states with electron population in both layers are observed. Contrary to earlier studies, we find no excitonic hybridization near the low-energy absorption peaks in MoSe 2 /WS 2 , whose splitting can, instead, be explained by the lattice reconstruction.

Electronic properties and materials↗
DOE OSTI2026

Quantitative stable isotope probing (qSIP)-informed metagenomics identifies viruses infecting chemoautotrophs

Aquatic environments absorb ~2.5 gigatonnes of atmospheric carbon each year1, more than the carbon stored in the atmosphere, soils, and all biomass combined. Primary producers transform this dissolved inorganic carbon into biomass that can subsequently flow into other trophic levels, or be released back into the environment through viral lysis. While there is substantial knowledge about the diversity and activity of viruses infecting photoautotrophic primary producers and the ecosystem impact, little is known about viruses infecting chemoautotrophs, representing a gap in our understanding of key processes driving microbial carbon cycling. Here, we combine metagenomics with quantitative 12/13C stable isotopic probing (qSIP) mesocosm experiments in a marine-derived meromictic pond to quantify population-specific isotopic enrichment, identify key chemoautotrophic primary producers, and virus-host dynamics. Isotopically enriched carbon is tracked from the genomes of chemoautotrophs to putative viruses, showing that active populations of hydrogen/sulfur-oxidizing chemoautotrophs (Thiomicrorhabdus, Hydrogenovibrio, Sulfurimonas, Sulfurovum) are targeted by viruses. This work provides the foundation for revealing the diversity and activity of viruses infecting globally-widespread chemoautotrophs. Our study sheds light on trophic interactions that impact microbial carbon cycling in aphotic environments and builds toward biogeochemical models that incorporate viral impacts on chemoautotrophic microbial communities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Subsurface hydrocarbon degradation strategies in low- and high-sulfate coal seam communities identified with activity-based metagenomics

Environmentally relevant metagenomes and BONCAT-FACS derived translationally active metagenomes from Powder River Basin coal seams were investigated to elucidate potential genes and functional groups involved in hydrocarbon degradation to methane in coal seams with high- and low-sulfate levels. An advanced subsurface environmental sampler allowed the establishment of coal-associated microbial communities under in situ conditions for metagenomic analyses from environmental and translationally active populations. Metagenomic sequencing demonstrated that biosurfactants, aerobic dioxygenases, and anaerobic phenol degradation pathways were present in active populations across the sampled coal seams. In particular, results suggested the importance of anaerobic degradation pathways under high-sulfate conditions with an emphasis on fumarate addition. Under low-sulfate conditions, a mixture of both aerobic and anaerobic pathways was observed but with a predominance of aerobic dioxygenases. The putative low-molecular-weight biosurfactant, lichysein, appeared to play a more important role compared to rhamnolipids. The methods used in this study—subsurface environmental samplers in combination with metagenomic sequencing of both total and translationally active metagenomes—offer a deeper and environmentally relevant perspective on community genetic potential from coal seams poised at different redox conditions broadening the understanding of degradation strategies for subsurface carbon.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Classifying handedness in chiral nanomaterials using label error robust deep learning

Abstract High-throughput scanning electron microscopy (SEM) coupled with classification using neural networks is an ideal method to determine the morphological handedness of large populations of chiral nanoparticles. Automated labeling removes the time-consuming manual labeling of training data, but introduces label error, and subsequently classification error in the trained neural network. Here, we evaluate methods to minimize classification error when training from automated labels of SEM datasets of chiral Tellurium nanoparticles. Using the mirror relationship between images of opposite handed particles, we artificially create populations of varying label error. We analyze the impact of label error rate and training method on the classification error of neural networks on an ideal dataset and on a practical dataset. Of the three training methods considered, we find that a pretraining approach yields the most accurate results across label error rates on ideal datasets, where size and other morphological variables are held constant, but that a co-teaching approach performs the best in practical application.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nonlocal Coulomb interaction and spin-freezing crossover as a route to valence-skipping charge order

Abstract Multiorbital systems away from global half-filling host intriguing physical properties promoted by Hund’s coupling. Despite increasing awareness of this regime dubbed Hund’s metal, effect of nonlocal interaction is still elusive. Here we study a three-orbital model with 1/3 filling (two electrons per site) including the intersite Coulomb interaction ( V ). Using the G W plus extended dynamical mean-field theory, the valence-skipping charge order transition is shown to be driven by V . Most interestingly, the instability to this transition is significantly enhanced in the spin-freezing crossover regime, thereby lowering the critical V to the formation of charge order. This behavior is found to be closely related to the population profile of the atomic multiplet states in the spin-freezing regime. In this regime, maximum spin states are dominant in each total charge subspace with substantial amount of one- and three-electron occupations, which leads to almost equal population of one- and the maximum spin three-electron state. Our finding unveils another feature of the Hund’s metal and has potential implications for the broad range of multiorbital systems as well as the recently discovered charge order in iron pnictides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Incorporation of 16 O-rich anhydrous silicates in the protolith of highly hydrated asteroid Ryugu

The abundant phyllosilicate and carbonate minerals characterizing most of the returned particles from asteroid Ryugu suggest a history of extensive aqueous alteration on its parent body, similar to the rare mineralogically altered, but chemically primitive, CI (Ivuna-type) chondrite meteorites. Particle C0009 differs mineralogically from other Ryugu particles examined so far by containing anhydrous silicates at a level of ~0.5 vol%, and thus can help shed light on the unaltered original materials that constituted Ryugu’s protolith. In situ oxygen isotope measurements of the most Mg-rich olivine and pyroxene in C0009 reveal two populations of Δ 17 O: –25‰ to –15‰ and –8‰ to –3‰. The former and the latter populations correlate well with silicate morphologies similar to those seen in amoeboid olivine aggregates and chondrule phenocrysts, respectively, both of which are abundant in less aqueously altered carbonaceous chondrites. Here, this result also highlights the presence of olivine with Δ 17 O close to the solar value in either a CI chondrite or an asteroid with CI-chondrite characteristics, and provides strong evidence that amoeboid olivine aggregates and Mg-rich chondrules accreted into Ryugu’s protolith. Our data also raise the possibility that the protoliths of CI and other carbonaceous chondrites incorporated similar anhydrous silicates.

58 GEOSCIENCES↗
DOE OSTI2021

Threatened salmon rely on a rare life history strategy in a warming landscape

We report that rare phenotypes and behaviours within a population are often overlooked, yet they may serve a heightened role for species imperilled by rapid warming. In threatened spring-run Chinook salmon spawning at the southern edge of the species range, we show late-migrating juveniles are critical to cohort success in years characterized by droughts and ocean heatwaves. Late migrants rely on cool river temperatures over summer, increasingly rare due to the combined effects of warming and impassable dams. Despite the dominance of late migrants, other strategies played an important role in many years. Our results suggest that further loss of phenotypic diversity will have critical impacts on population persistence in a warming climate. Predicted thermally suitable river conditions for late migrants will shrink rapidly in the future and will be largely relegated above impassable dams. Reconnecting diverse habitat mosaics to support phenotypic diversity will be integral to the long-term persistence of this species.

54 ENVIRONMENTAL SCIENCES↗