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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 19 records

Ultrafast population and structural dynamics of a Ni-bipyridine photoredox catalyst reveal a significant deactivation pathway

The ultrafast excited state pathways and dynamics of NiII-bipyridine complexes influence the yield of photochemical processes involved in their catalytic cross-coupling reactions. Here we present ultrafast Ni K x-ray emission spectroscopy (XES) and x-ray solution scattering (XSS) of a NiII-bipyridine aryl halide complex, [Ni(t-Bubpy)(o-tol)Br], to quantify the excited state population dynamics and structural changes of the pre-catalyst. Due to the local spin-sensitivity of XES, the population dynamics of metal-to-ligand charge transfer (MLCT) and metal-centered (MC) excited states is established. A rapid ground state recovery pathway is newly identified, representing a significant deactivation pathway during photocatalysis. Furthermore, the pseudotetrahedral structure of the long-lived MC excited state is unambiguously identified and refined by XSS. The results advance our understanding of the ultrafast relaxation mechanisms that impact the photocatalytic mechanism and yield for NiII-bipyridine aryl halide cross-coupling catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Frequency of Sex: Population Genomics Reveals Differences in Recombination and Population Structure of the Aflatoxin-Producing Fungus Aspergillus flavus

The apparent rarity of sex in many fungal species has raised questions about how much sex is needed to purge deleterious mutations and how differences in frequency of sex impact fungal evolution. We sought to determine how differences in the extent of recombination between populations of Aspergillus flavus impact the evolution of genes associated with the synthesis of aflatoxin, a notoriously potent carcinogen. We sequenced the genomes of, and quantified aflatoxin production in, 94 isolates of A. flavus sampled from seven states in eastern and central latitudinal transects of the United States. The overall population is subdivided into three genetically differentiated populations (A, B, and C) that differ greatly in their extent of recombination, diversity, and aflatoxin-producing ability. Estimates of the number of recombination events and linkage disequilibrium decay suggest relatively frequent sex only in population A. Population B is sympatric with population A but produces significantly less aflatoxin and is the only population where the inability of nonaflatoxigenic isolates to produce aflatoxin was explained by multiple gene deletions. Population expansion evident in population B suggests a recent introduction or range expansion. Population C is largely nonaflatoxigenic and restricted mainly to northern sampling locations through restricted migration and/or selection. Despite differences in the number and type of mutations in the aflatoxin gene cluster, codon optimization and site frequency differences in synonymous and nonsynonymous mutations suggest that low levels of recombination in some A. flavus populations are sufficient to purge deleterious mutations.

59 BASIC BIOLOGICAL SCIENCES↗

Supersonically expanded sodium metal-dilute halogen gas interactions. The importance of reaction populated and energy storing reservoir states and population inversion created amplification in Na2

The reactions of Cl, Br, and I with Nan=2,3 produced in a supersonic expansion form Na2* and Na* excited states extending across the visible and ultraviolet regions. Emission in the region extending from 410 to 600 nm indicates selectively formed excited state Na2 emission features. Experimental evidence suggests that this emission is associated with Na3 + X reactions. Broadband (0.5 cm−1) laser measurements demonstrate gain (population inversion) for select features at∼524–528(1%), ∼492(0.3%), and ∼458.7–461(0.8%) nm. Single mode (0.007 cm−1) measurements extending from 528.03 to 527.63 nm demonstrate amplification involving five to six individual rovibronic levels with a maximum gain close to 3% recorded at 527.9 nm. The observed gain is associated with select transitions from levels of the Na2 11Πu state populated, via identified curve crossings, through collision induced transfer from long-lived Na2 21Σg+ and 11Πg reservoir states. Collision induced population buildup in the lowest vibrational levels of these reservoir states and collision induced transfer to the Na2 11Πu state create a population inversion in transitions to the X 1Σg+ state of Na2. The observed amplification is aided by rapid vibrational and rotational relaxation in both the Na2 ground and excited reservoir states producing amplifiers in the visible region like the HF amplifier in the infrared. This study suggests the importance of reaction populated and energy storing long-lived reservoir states in small sodium molecule combustion processes and indicates the potential for providing new short wavelength visible and ultraviolet amplifiers for future laser-based chemical propulsion concepts.

Chemistry↗

Encounters of spherical galaxies. I - Galaxy models with one stellar population. II - Galaxy models with two stellar populations

Close encounters between two spherical galaxies of equal size and consisting of only one stellar population are calculated using models of elliptical galaxies constructed according to King's (1966) method. The mass loss and the change in internal energy are computed under the assumption that the stars do not change their velocity or density distributions during the encounters. The results for a specific case are compared with the calculations of Gallagher and Ostriker (1972), who employed the observed brightness distribution and the derived density distribution of the E1 galaxy NGC 3379. For models with one stellar population, the results suggest that the radius of a galactic halo would have to be at least 200 kpc for appreciable mass loss to occur over the history of a galaxy in a rich cluster. The calculations are then extended to include a halo population characterized by a high central velocity dispersion. In this case, it is found that the halo population of sufficiently large galaxies can be dispersed without appreciably affecting the main population. It is suggested that the missing mass of many clusters of galaxies may be located in an intergalactic sea of faint stars making up an envelope for the centrally located gE galaxies.

Biermann, P.↗

Microcoleus (Cyanobacteria) form watershed-wide populations without strong gradients in population structure

The relative importance of separation by distance and by environment to population genetic diversity can be conveniently tested in river networks, where these two drivers are often independently distributed over space. To evaluate the importance of dispersal and environmental conditions in shaping microbial population structures, we performed genome-resolved metagenomic analyses of benthic Microcoleus -dominated cyanobacterial mats collected in the Eel and Russian River networks (California, USA). The 64 Microcoleus genomes were clustered into three species that shared >96.5% average nucleotide identity (ANI). Most mats were dominated by one strain, but minor alleles within mats were often shared, even over large spatial distances (>300 km). Within the most common Microcoleus species, the ANI between the dominant strains within mats decreased with increasing spatial separation. However, over shorter spatial distances (tens of kilometres), mats from different subwatersheds had lower ANI than mats from the same subwatershed, suggesting that at shorter spatial distances environmental differences between subwatersheds in factors like canopy cover, conductivity, and mean annual temperature decreases ANI. Since mats in smaller creeks had similar levels of nucleotide diversity (π) as mats in larger downstream subwatersheds, within-mat genetic diversity does not appear to depend on the downstream accumulation of upstream-derived strains. The four-gamete test and sequence length bias suggest recombination occurs between almost all strains within each species, even between populations separated by large distances or living in different habitats. Overall, our results show that, despite some isolation by distance and environmental conditions, sufficient gene-flow occurs among cyanobacterial strains to prevent either driver from producing distinctive population structures across the watershed.

59 BASIC BIOLOGICAL SCIENCES↗

Host population diversity as a driver of viral infection cycle in wild populations of green sulfur bacteria with long standing virus-host interactions

Abstract Temperate phages are viruses of bacteria that can establish two types of infection: a lysogenic infection in which the virus replicates with the host cell without producing virions, and a lytic infection where the host cell is eventually destroyed, and new virions are released. While both lytic and lysogenic infections are routinely observed in the environment, the ecological and evolutionary processes regulating these viral dynamics are still not well understood, especially for uncultivated virus-host pairs. Here, we characterized the long-term dynamics of uncultivated viruses infecting green sulfur bacteria (GSB) in a model freshwater lake (Trout Bog Lake, TBL). As no GSB virus has been formally described yet, we first used two complementary approaches to identify new GSB viruses from TBL; one in vitro based on flow cytometry cell sorting, the other in silico based on CRISPR spacer sequences. We then took advantage of existing TBL metagenomes covering the 2005–2018 period to examine the interactions between GSB and their viruses across years and seasons. From our data, GSB populations in TBL were constantly associated with at least 2-8 viruses each, including both lytic and temperate phages. The dominant GSB population in particular was consistently associated with two prophages with a nearly 100% infection rate for >10 years. We illustrate with a theoretical model that such an interaction can be stable given a low, but persistent, level of prophage induction in low-diversity host populations. Overall, our data suggest that lytic and lysogenic viruses can readily co-infect the same host population, and that host strain-level diversity might be an important factor controlling virus-host dynamics including lytic/lysogeny switch.

59 BASIC BIOLOGICAL SCIENCES↗

Millimeter-wave Point Sources from the 2500 Square Degree SPT-SZ Survey: Catalog and Population Statistics

In this work, we present a catalog of emissive point sources detected in the SPT-SZ survey, a contiguous 2530- square-degree area surveyed with the South Pole Telescope (SPT) from 2008 - 2011 in three bands centered at 95, 150, and 220GHz. The catalog contains 4845 sources measured at a significance of 4.5σ or greater in at least one band, corresponding to detections above approximately 9.8, 5.8, and 20.4 mJy in 95, 150, and 220 GHz, respectively. Spectral behavior in the SPT bands is used for source classification into two populations based on the underlying physical mechanisms of compact, emissive sources that are bright at millimeter wavelengths: synchrotron radiation from active galactic nuclei and thermal emission from dust. The latter population includes a component of high-redshift sources often referred to as submillimeter galaxies (SMGs). In the relatively bright flux ranges probed by the survey, these sources are expected to be magnified by strong gravitational lensing. The survey also contains sources consistent with protoclusters, groups of dusty galaxies at high redshift undergoing collapse. We cross-match the SPT-SZ catalog with external catalogs at radio, infrared, and X-ray wavelengths and identify available redshift information. The catalog splits into 3980 synchrotron-dominated and 865 dust-dominated sources and we determine a list of 506 SMGs. Ten sources in the catalog are identified as stars. We calculate number counts for the full catalog, and synchrotron and dusty components, using a bootstrap method and compare our measured counts with models. This paper represents the third and final catalog of point sources in the SPT-SZ survey.

79 ASTRONOMY AND ASTROPHYSICS↗

Spin-squeezing-induced enhancement of the sensitivity of an atomic clock using coherent population trapping

The coherent population trapping (CPT) effect is used for making compact atomic clocks. There are two types of CPT clocks: the one in which the Raman beams are applied continuously and the one in which two CPT pulses separated by a dark period are applied (Ramsey scheme). It is obvious that the technique of spin squeezing can only be applied to the Ramsey CPT clock to enhance the sensitivity. However, it is not apparent how to adapt to the CPT clock the protocols for the microwave clock using one-axis-twist squeezing (OATS), since the Ramsey CPT clock is not trivially equivalent to the Ramsey microwave clock. In this paper, we show explicitly how to adapt two protocols using OATS, namely, the Schrödinger cat state protocol (SCSP) and the generalization thereof, and the echo squeezing protocol (ESP), to the CPT clock. The ESP magnifies the phase shift by a factor of N / e , while the SCSP magnifies the phase shift by a factor of N / 2 , making it able to achieve a higher sensitivity in the presence of excess noise.

Li, Jinyang↗

Data for "Genetics of flooding tolerance in an F2 Miscanthus sacchariflorus ssp. lutarioriparius × M. sinensis population"

This dataset contains all data and supplementary materials from "Genetics of flooding tolerance in an F2 Miscanthus sacchariflorus ssp. lutarioriparius × M. sinensis population". 1. The dataset S1 table contains the raw phenotypic data collected during the experiment. 2. The dataset S2 table contains the LSmean values for the 24 traits studied. 3. The dataset S3 table contains the TASSEL GBSv2 map, marker information, and genotype data used for mapping. 4. The dataset S4 table contains information on candidate genes found in each of the QTL intervals. 5. The dataset S5 table contains the GO annotations and KEGG enrichment analyses for those candidate genes. 6. The dataset S6 table contains information on the sequences used to classify AP2 ERF transcription factors. 7. The dataset S7 table contains information on AP2 ERF orthologs between Miscanthus and rice based on synteny. 8. Supplementary file 1 contains the ANOVA results using the raw phenotypic data collected from protocol "A". 9. Supplementary file 2 contains the ANOVA results using the raw phenotypic data collected from protocol "B". 10. Supplementary file 3 contains notes on the comparison of SNP calling methods. 11. Supplementary file 4 is a script for analyzing candidate genes found in QTL intervals.

Miscanthus, flood, partial submergence, complete s↗

Initial Mobility Analysis for ORNL VA-EDH Synthetic Populations

Travel burdens are a major barrier to healthcare access among US Veteran patient populations, particularly those residing in rural areas. Spatial accessibility to points of care for US Veteran populations is commonly assessed in two ways. The first approach uses open data from the US Census to represent collective travel burdens, for example the distance between population-weighted census tract centroids and VHA points of care. The second approach uses restricted-access VHA patient data to measure travel costs (e.g., distance, time) for accessing points of care with respect to geolocated patient addresses and real or approximated transportation networks. While the advantage of the open data approach lies in its reproducibility, it has notable limitations in its tendency to infer individual travel behavior from aggregate population characteristics, a problem known as ecological fallacy. Conversely, while the patient data approach is able to account for individual travel behavior, its ability to account for localized access disparities (e.g., a neighborhood with exceptionally high transportation costs) and patient demographics is limited as protecting individual patient data requires their storage in closed systems with limited capacity for adequately modeling real-world travel patterns or for supplementing patient attributes. Additionally, the patient data approach cannot account for veterans who are not enrolled in the VHA system but who may be eligible for care. These challenges limit the ability to perform “what if” analyses on the effects of place-specific interventions on veteran populations with high access barriers to healthcare. To address these challenges, we explore the application of realistic synthetic populations to examine travel burdens and spatial accessibility issues among veteran patient populations. Synthetic populations provide a virtual, individually-resolved and cross-sectional representation of the veteran patient population that enables investigation of spatial access to points of care in ways in which aggregate data and patient data do not. First, synthetic populations allow one to directly assess how individuals access points of care, from synthesized residential locations to outpatient facilities on real-world transportation networks. Modeling access to points of care at the individual scale addresses the ecological fallacy problem associated with using aggregated census data to represent veteran populations and patterns of movement. Second, synthetic populations provide a means of completely representing an area’s veteran population using only publicly available, anonymized census microdata from the American Community Survey (ACS) to ensure the privacy of real-world individuals. Generating synthetic populations from the ACS also expands descriptive characteristics beyond what patient data typically offers to include socio-demographic, economic, housing, and mobility attributes. More detailed profiles of both VHA patient populations and veterans not enrolled in the VA system will provide a comprehensive picture of groups that may benefit from interventions or outreach. As an initial exercise for using synthetic populations to measure veteran travel burdens to VA care, we apply Oak Ridge National Laboratory’s (ORNL) UrbanPop capability to generate a series of synthetic VHA patient populations for 9 Veterans Integrated Services Networks (VISN) market areas in 9 Census Divisions across the continental United States, which are listed in Table 1. We use UrbanPop to produce synthetic populations for the VISN markets selected for each US Census Division, then assign VA outpatient clinic destinations to synthetic VHA patients based on travel about each VISN market’s road network. To demonstrate using the synthetic populations to evaluate healthcare travel burdens, we compare the time-based impedance between simulated home locations and VA outpatient clinics in each VISN market. We then perform validation exercises on the synthetic populations with respect to neighborhood (block group) demographic composition as well as patient mobility, comparing aggregate origin-destination statistics for the synthetic population to outpatient visits available in restricted patient data from the VA’s Corporate Data Warehouse (CDW) database.

97 MATHEMATICS AND COMPUTING↗

Rapid recovery of invasive wild pig (Sus scrofa) populations following density reduction

Abstract Trapping is an effective strategy for control of invasive wild pig (Sus scrofa), but eradication of populations via trapping alone typically is impractical throughout much of the species’ introduced range. Consequently, recovery of wild pig populations to pre-trapping levels following control is a major impediment to success of long-term control. In this study, we conducted camera-trap surveys to monitor recovery of two wild pig populations immediately following density reductions achieved via trapping on two sites on the Savannah River Site, SC. We used spatial capture-recapture models to estimate wild pig density during seven 3 week periods spanning 12 months to: (1) determine the time required for populations to recover to pre-trapping levels; and (2) evaluate trends in population growth, density, and distribution during recovery. Recovery of both wild pig populations started immediately after trapping ceased, with populations reaching pre-trapping levels in 3 and 5 months. Threeweek population growth rates for each wild pig population during recovery averaged 1.28 (range = 1.11–1.39 on site 1) and 1.24 (range = 0.64–1.92 on site 2), which corresponded to a 345% and 132% increase in abundance (an increase of 141 and 126 individual wild pigs on site 1 and 2, respectively) of each population by the last survey period. Rapid recovery and growth beyond pre-trapping levels of wild pig populations likely were driven by residual wild pigs not removed by trapping and compensatory reproduction and immigration. Our study is one of the first to provide information on how quickly wild pig populations can recover following overall density reductions of 54–68% and indicates practitioners should be prepared to reinitiate trapping efforts in as little as 3 months to prevent recovery of wild pig populations following control.

Biodiversity & Conservation↗