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DOE OSTI2022

Island of misfit tortoises: waif gopher tortoise health assessment following translocation

Translocation, the intentional movement of animals from one location to another, is a common management practice for the gopher tortoise (Gopherus polyphemus). Although the inadvertent spread of pathogens is a concern with any translocation effort, waif tortoises—individuals that have been collected illegally, injured and rehabilitated or have unknown origins—are generally excluded from translocation efforts due to heightened concerns of introducing pathogens and subsequent disease to naïve populations. However, repurposing these long-lived animals for species recovery is desirable when feasible, and introducing waif tortoises may bolster small populations facing extirpation. The objective of this study was to assess the health of waif tortoises experimentally released at an isolated preserve in Aiken County, SC, USA. Our assessments included visual examination, screening for 14 pathogens using conventional or quantitative polymerase chain reaction (qPCR) and haematological evaluation. Of the 143 individuals assessed in 2017 and 2018, most individuals (76%; n = 109 of 143) had no overt clinical evidence of disease and, when observed, clinical findings were mild. In both years, we detected two known tortoise pathogens, Mycoplasma agassizii and Mycoplasma testudineum, at a prevalence of 10.2–13.9% and 0.0–0.8%, respectively. Additionally, we found emydid Mycoplasma, a bacterium commonly found in box turtles (Terrapene spp.), in a single tortoise that showed no clinical evidence of infection. The presence of nasal discharge was an important, but imperfect, predictor of Mycoplasma spp. infection in translocated tortoises. Hemogram data were comparable with wild populations. Our study is the first comprehensive effort to assess pathogen prevalence and hemogram data of waif gopher tortoises following translocation. Although caution is warranted and pathogen screening necessary, waif tortoises may be an important resource for establishing or augmenting isolated populations when potential health risks can be managed.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Compilation and Evaluation of Isomeric Fission Yield Ratios

Fission yields are essential data for reactor physics, forensics, and astrophysics. In some cases, the fission yield of a fragment is divided between the ground state and a long-lived excited state, and the relative population of the two states is referred to as the isomeric ratio. In this work, we present a comprehensive compilation of experimental isomeric fission yield ratios for all target and projectile combinations. When possible, these data are combined to provide recommended isomeric fission yield ratios for low energy neutron-induced fission and spontaneous fission. The recommended ratios are compared to the traditional Madland-England model, which attempts to describe the isomeric ratios with a single parameter relating to the angular momentum of the fragment. It is found that the model does not reliably reproduce isomeric ratios outside the few nuclei it was fitted to, and its simplified treatment of the statistical process following population in fission results in average spin values, which are neither constant nor follow a recently observed saw-tooth pattern.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Training Population Optimization for Genomic Selection in Miscanthus

Miscanthus is a perennial grass with potential for lignocellulosic ethanol production. To ensure its utility for this purpose, breeding efforts should focus on increasing genetic diversity of the nothospecies Miscanthus × giganteus (M×g) beyond the single clone used in many programs. Germplasm from the corresponding parental species M. sinensis (Msi) and M. sacchariflorus (Msa) could theoretically be used as training sets for genomic prediction of M×g clones with optimal genomic estimated breeding values for biofuel traits. To this end, we first showed that subpopulation structure makes a substantial contribution to the genomic selection (GS) prediction accuracies within a 538-member diversity panel of predominately Msi individuals and a 598-member diversity panels of Msa individuals. We then assessed the ability of these two diversity panels to train GS models that predict breeding values in an interspecific diploid 216-member M×g F2 panel. Low and negative prediction accuracies were observed when various subsets of the two diversity panels were used to train these GS models. To overcome the drawback of having only one interspecific M×g F2 panel available, we also evaluated prediction accuracies for traits simulated in 50 simulated interspecific M×g F2 panels derived from different sets of Msi and diploid Msa parents. The results revealed that genetic architectures with common causal mutations across Msi and Msa yielded the highest prediction accuracies. Ultimately, these results suggest that the ideal training set should contain the same causal mutations segregating within interspecific M×g populations, and thus efforts should be undertaken to ensure that individuals in the training and validation sets are as closely related as possible.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Collective effect of thermal plumes on temperature fluctuations in a closed Rayleigh–Benard convection cell

Here, we report a systematic study of the collective effect of thermal plumes on the probability density function (PDF) P(δT) of temperature fluctuations δT(t) in turbulent Rayleigh-Benard convection. By decomposing δT(t) into four basic fluctuation modes associated with single and multiple warm and cold plumes and a turbulent background, we derive an analytic form of P(δT) based on the convolutions of the five independent modes. To test the derived form of P(δT) in the multiple-plume regions, where the thermal plumes are heavily populated, we conduct time series measurements of temperature fluctuations in two convection cells; one is a vertical thin disk and the other is an upright cylinder of aspect ratio unity. For a given normalized position in most regions of the convection cell, all of the measured PDFs P(δT) for different Rayleigh numbers fall onto a single master curve, once δT is normalized by its rms value σ T . It is found that the measured P(δT / σT ) at different locations along the symmetric horizontal and vertical axes of the convection cells can all be well described by the derived form of P(δT / σT ). The fitted values of the parameters associated with the number of plumes in multiple plume clusters and their relative strengths and degrees of intermittency are closely linked to the spatial distribution of thermal plumes and local dynamics of the large-scale circulation in a closed convection cell. Our work thus provides a unified theoretical approach for understanding scalar PDFs in a turbulent field, which is very useful not only for the present study but also for the study of many turbulent mixing problems of practical interest.

42 ENGINEERING↗

DOE OSTI2022

Linkage map construction using limited parental genotypic information

Abstract Genetic linkage maps based on single nucleotide polymorphisms (SNPs) represent an essential tool for a variety of genomic analyses. Today, next-generation sequencing (NGS) enables rapid genotyping of different mapping populations based on thousands of SNPs and the construction of highly saturated linkage maps. Nevertheless, missing data in the genotyping of the parental lines creates a bottleneck that determines the number of SNPs that can be used for the linkage map. As a proof of concept, a highly saturated genetic linkage map was constructed using the imputed genotypic data of a recombinant inbred line (RIL) population and the limited genotypic information of its parental lines. Two ABH genotype files were created from a pseudo-parental genotypic data set that includes all the SNPs present in the RIL population. In the first ABH file pseudo-parental 1 was considered parental A, while in the second pseudo-parental 1 was considered parental B. These two duplicate ABH genotype files were merged by chromosome and subjected to linkage map analysis. Since the ABH data were duplicated, two mirrored linkage groups were generated per chromosome. The correct linkage map was identified and selected based on the partial genotypic data of the parental lines. This strategy was effective for constructing a highly saturated linkage map of 33,421 SNPs based on the genotyping of 205 RILs and a limited number of 100 SNPs present in the parental lines. This strategy enables the use of all the NGS SNP data obtained from a low-coverage sequencing experiment in the mapping population.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Expanding the color palette of bicolor-emitting nanocrystals

Owing to their bright and tunable luminescence spectra, nanocrystals appear as a unique playground for light source design. Displays and lighting require white light sources that combine several narrow lines. As Kasha's rule prevents the emission of hot carriers, blends of multiple nanocrystal populations are currently the obvious strategy for broad-band source design. However, a few reports suggest that bicolor emission can also be obtained from a single particle even under weak excitation if a careful design of the exciton scattering mechanism sufficiently slows down its relaxation pathways. A key challenge remains to maintain quantum confinement for color tunability in the same structure, while simultaneously achieving a large size to leverage the critical, slower exciton diffusion or relaxation down to the ground state. In this work, we demonstrate that 2D nanoplatelets offer an original opportunity for the design of confined and large heterostructures. We demonstrate that bicolor emission is not limited to green–red pair and show that blue–yellow and purple–green emissions can be obtained from CdSe/CdTe/CdSe core/crown/crown and CdSe/CdS core/crown heterostructures, respectively.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2023

The Origin of Star Formation in Early-type Galaxies Inferred from Spatially Resolved Spectroscopy

Abstract We investigate the origin of star formation activity in early-type galaxies with current star formation using spatially resolved spectroscopic data from the Mapping Nearby Galaxies at Apache Point Observatory in the Sloan Digital Sky Survey (SDSS). We first identify star-forming early-type galaxies from the SDSS sample, which are morphologically early-type but show current star formation activity in their optical spectra. We then construct comparison samples with different combinations of star formation activity and morphology, which include star-forming late-type galaxies, quiescent early-type galaxies, and quiescent late-type galaxies. Our analysis of the optical spectra reveals that the star-forming early-type galaxies have two distinctive episodes of star formation, which is similar to late-type galaxies but different from quiescent early-type galaxies with a single star formation episode. Star-forming early-type galaxies have properties in common with star-forming late-type galaxies, which include stellar population, gas and dust content, mass, and environment. However, the physical properties of star-forming early-type galaxies derived from spatially resolved spectroscopy differ from those of star-forming late-type galaxies in the sense that the gas in star-forming early-type galaxies is more concentrated than their stars, and is often kinematically misaligned with stars. The age gradient of star-forming early-type galaxies also differs from those of star-forming late-type galaxies. Our findings suggest that the current star formation in star-forming early-type galaxies has an external origin including galaxy mergers or accretion gas from the cosmic web.

Astronomy & Astrophysics↗

NASA NTRS1980

Image processing of HCMM-satellite thermal images for superposition with other satellite imagery and topographic and thematic maps

The southwestern part of Central Europe between Basal and Frankfurt was used in a study to determine the accuracy with which a regionally bounded HCMM scene could be rectified with respect to a preassigned coordinate system. The scale to which excerpts from HCMM data can be sensibly enlarged and the question of how large natural structures must be in order to be identified in a satellite thermal image with the given resolution were also examined. Relief and forest and population distribution maps and a land use map derived from LANDSAT data were digitalized and adapted to a common reference system and then combined in a single multichannel data system. The control points for geometrical rectification were determined using the coordinates of the reference system. The multichannel scene was evaluated in several different manners such as the correlation of surface temperature and relief, surface temperature and land use, or surface temperature and built up areas.

Gossmann, H.↗

NASA NTRS2019

Understanding the Impact of Meteorological Spatiotemporal Variability on Distant Focusing Overpressure Risk

Since the 1950s, the amplification of blast energy from explosions has been understood to be a significant hazard to public safety at launch ranges. Historically, the risk assessment of the Distant Focusing Overpressure (DFO) hazard started with a single temperature and wind profile (e.g., a radiosonde launch) as input to acoustic 1-D ray tracing models. By analyzing rays propagation and performing ray tracing, population centers under high DFO risk can be identified. Although this method is useful, less is known about how the blast waves can be focused when the spatiotemporal variability of the input profiles are considered. In summary, this work aims to consider how realistic atmospheric boundary layer variability (e.g., turbulence, land-surface contrasts) may affect blast waves propagation and focusing and, as a result, DFO risk assessment results.

Blumberg, W. Greg↗

DOE OSTI2026

Explainable machine learning reveals that local structural motifs encode the thermodynamic state across the CuZr metallic glass-forming range

Metallic glasses derive their properties from the statistics of local atomic motifs rather than from long-range order, yet a quantitative, chemistry-specific link between motif populations and the underlying glassy state has remained elusive. In this work we combine large-scale molecular dynamics, Voronoi tessellation, deep neural networks, and SHapley Additive exPlanations (SHAP) to identify which local structural motifs define the glassy state of Cu—Zr metallic glasses. A dataset of 17,180 atomistic configurations spanning ten compositions (Cu 20 Zr 80 –Cu 80 Zr 20 ) and four quench rates (10 9 –10 12 K/s) is used to train a feed-forward neural network that regresses temperature across the 50–2000 K liquid–supercooled–glass range, achieving a mean absolute error of 19.89 K and R 2 = 0.9974, confirming that the local structural state is faithfully encoded in motif-level structure. SHAP analysis then reveals that a tightly coupled near-icosahedral family of motifs (coordination numbers (CN) 11–13, including the full icosahedron 001200 and its single-atom-perturbation sibling 10930) collectively encodes the thermodynamic state of the system across the full glass-forming range. The CN = 11–13 ordered members carry negative SHAP values at high populations, tracking the most deeply-quenched configurations, while 10930 shows the reversed signature consistent with its role as a soft-spot host whose population shrinks as the icosahedral network deepens. The analysis demonstrates that explainable machine learning can isolate the minimal motif vocabulary defining the glassy state and recovers the near-icosahedral building blocks previously identified by data-driven analyses of Cu—Zr. The approach provides a general, chemistry-specific route for characterizing the structural state of disordered materials.

36 MATERIALS SCIENCE↗

DOE OSTI2023

A subcellular biochemical model for T6SS dynamics reveals winning competitive strategies

Abstract The type VI secretion system (T6SS) is a broadly distributed interbacterial weapon that can be used to eliminate competing bacterial populations. Although unarmed target populations are typically used to study T6SS function in vitro, bacteria most likely encounter other T6SS-armed competitors in nature. However, the connection between subcellular details of the T6SS and the outcomes of such mutually lethal battles is not well understood. Here, we incorporate biological data derived from natural competitors of Vibrio fischeri light organ symbionts to build a biochemical model for T6SS at the single-cell level, which we then integrate into an agent-based model (ABM). Using the ABM, we isolate and experiment with strain-specific physiological differences between competitors in ways not possible with biological samples to identify winning strategies for T6SS-armed populations. Through in vitro experiments, we discover that strain-specific differences exist in T6SS activation speed. ABM simulations corroborate that faster activation is dominant in determining survival during competition. Once competitors are fully activated, the energy required for T6SS creates a tipping point where increased weapon building and firing becomes too costly to be advantageous. Through ABM simulations, we identify the threshold where this transition occurs in the T6SS parameter space. We also find that competitive outcomes depend on the geometry of the battlefield: unarmed target cells survive at the edges of a range expansion where unlimited territory can be claimed. Alternatively, competitions within a confined space, much like the light organ crypts where natural V. fischeri compete, result in the rapid elimination of the unarmed population.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Exploring single-cell biosynthetic noise and dynamics for enhanced betaxanthin production in Escherichia coli

Cell-to-cell variability often limits the efficiency of microbial bioproduction, yet how individual cells fluctuate over time and how these fluctuations shape population-level output remain unclear. To address this issue, we tracked a heterologous betaxanthin pathway in Escherichia coli using microfluidics-assisted time-lapse microscopy, allowing simultaneous measurement of fluctuations in betaxanthin, its biosynthetic enzyme DOD and growth across generations. Here we show that over 50% of high betaxanthin producers become medium or low producers after two divisions. Betaxanthin variation primarily originates from DOD noise, with a smaller contribution from growth rate fluctuations. We further develop a stochastic model to explore various control circuits and find that pathway enzyme or metabolite-based growth selection strategies are most effective in enhancing production. We experimentally validate the model by coupling enzyme expression to nutrient availability, which enriches high producers and boosts titer by 4.4-fold. Our results highlight key sources of metabolic heterogeneity and provide a framework for designing robust microbial processes.

Bacterial systems biology↗

DOE OSTI2025

Isotopic analysis of Nd nanoparticles using single particle MC-ICP-MS: A comparative study with single particle-ICP-TOF-MS

Single particle - inductively coupled plasma - mass spectrometry (SP-ICP-MS) is a powerful technique for characterization of the elemental and isotopic composition of individual particles. In this work, the capabilities of the newest generation of MC-ICP-MS with acquisition rates down to 50 ms were evaluated for single particle analysis, with a focus on isotopic precision achievable on a single-particle level. Nd (NdVO 4 ) nanoparticles (~120 nm in diameter) were used as case study and were first characterized in terms of mass (respective size) and particle number concentration by SP-ICP-TOF-MS and then by SP-MC-ICP-MS for isotopic precision. For the isotopic ratio measurements, the MC-ICP-MS performance was compared to the ICP-TOF-MS and it was found that the isotope ratio precision was increased (R 2 between 0.98 and 0.99) compared to ICP-TOF-MS (R 2 between 0.88 and 0.97). The accuracy attained on a single particle level, was compared to bulk digestion followed by MC-ICP-MS analysis, and the SP-MC-ICP-MS technique was able to determine the particle population average to be <4 %, percent relative differences for the 142 Nd/ 144 Nd, 143 Nd/ 144 Nd, 145 Nd/ 144 Nd, 146 Nd/ 144 Nd, and 148 Nd/ 144 Nd ratios The detection limit for the SP-MC-ICP-MS approach was also assessed. Here, when utilizing an all Faraday-cup based detection scheme the determined LOD for the measurements was 0.2fg for Nd, per particle. Based on these results, the newest generation of MC-ICP-MS has demonstrated its utility for performing SP measurement, particularly when high precision isotopic determination is warranted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Life cycle of a cyanobacterial carboxysome

Carboxysomes, prototypical bacterial microcompartments (BMCs) found in cyanobacteria, are large (~1 GDa) and essential protein complexes that enhance CO 2 fixation. While carboxysome biogenesis has been elucidated, the activity dynamics, lifetime, and degradation of these structures have not been investigated, owing to the inability of tracking individual BMCs over time in vivo. In this work, we have developed a fluorescence-imaging platform to simultaneously measure carboxysome number, position, and activity over time in a growing cyanobacterial population, allowing individual carboxysomes to be clustered on the basis of activity and spatial dynamics. We have demonstrated both BMC degradation, characterized by abrupt activity loss followed by polar recruitment of the deactivated complex, and a subclass of ultraproductive carboxysomes. Together, our results reveal the BMC life cycle after biogenesis and describe the first method for measuring activity of single BMCs in vivo.

09 BIOMASS FUELS↗

DOE OSTI2022

Comparing Life Histories of the Shortest-Lived Turtle Known (Chicken Turtles, Deirochelys reticularia ) with Long-Lived Blanding's Turtles ( Emydoidea blandingii )

Evolutionary theories predict major differences in life-history trait values of long- and short-lived organisms. Such comparisons have not been possible for chelonians because no shortlived turtle was known until research revealed that chicken turtles (Deirochelys reticularia; DR) have a maximum longevity of 21 yrs. Life-history trait values of DR females are 1) age at maturity of females = 5–6 yrs; 2) clutches per season = 1.6; 3) annual fecundity = 6–8 female eggs per female; 4) average juvenile survivorship from age 1 to maturity = 0.60; and 5) low average annual adult survivorship = 0.66. We compared DR with the very long-lived Blanding’s turtles (Emydoidea blandingii; EB) in Michigan. Over 14 yrs with no mortality (the minimum age at maturity of EB), the maximum potential fecundity produced by a single female embryo and her mature female offspring was 5 female eggs for EB and 1040 eggs for DR. Comparisons of life table output for approximately stable populations of DR and EB resulted in cohort generation times of 7 and 37 yrs, respectively. The life-history prediction that short-lived organisms should produce smaller offspring was not supported. Average wet mass of eggs is 10 g (8.4–11.3 g) for DR and 12 g (10–14 g) for EB; and average wet mass of hatchlings is 7.3 g (6–9 g) for DR and 9.3 g (6–13 g) for EB. Both differences are smaller than expected based on the difference in longevity. Here, short-lived female DR have an unusual tactic of investing in high fecundity and making substantial body sizespecific investment in large eggs, which may reflect why juvenile survivorship had greater influence on population change rates than did adult survivorship. In contrast, adult survivorship had the greatest influence on population change rates of EB. Comparison of cohorts of 1000 female DR and EB hatchlings highlights the differences in life histories of short- and long-lived turtles: all DR would be dead by the time the last female EB had reached maturity at 21 yrs of age.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1971

Probe and radar electron temperatures in an isotropic nonequilibrium plasma.

Electron temperatures measured by electrostatic probes and radar backscatter are distinct physical quantities, the temperature from each technique determined from a different moment of the electron-distribution function. Numerical inequality of temperatures results from a non-Maxwellian electron-distribution function or, equivalently, from a nonequilibrium electron plasma. Probe and backscatter electron temperatures are studied for low- and high-energy (isotropic) distortions of the distribution function. The nonequilibrium plasma generally produces higher probe than backscatter temperatures; however, the temperature difference is small for distortions due to realistic photoelectron populations. If the ionosphere is in a highly nonequilibrium state, probe and backscatter temperatures would differ from the temperature characterizing the average electron kinetic energy, and a single temperature applicable to a variety of physical processes would no longer exist.

Hoegy, W. R.↗

NASA NTRS1976

Petrographic and petrological study of lunar rock materials

Samples returned from Apollo 14 (14171, 14305, 14319), Apollo 15 (15255), Apollo 16 (61175, 67455), and Apollo 17 (77215) were studied optically and selected polished sections by SEM/Microprobe. Splits and separates from 77215, 67455, 61175 and 15255 were prepared; 77215 and 67455 were analyzed for major, minor and LIL trace elements. The data indicate that 77215, a noritic breccia clast found in the Station7 boulder, is a norite cumulate similar to and probably derived from the same body as 78235. The Apollo 17 boulders are found to be part of the same melt sheet, which was formed by a major impact event, possibly Serenitatis, about 4 B. Y. ago. The Apollo 14 and 16 breccias are polymict, their clast populations indicating quite different provenance. The Apollo 14 breccias are possibly the result of multiple impacts, while the other breccias studied appear to have been formed by single impacts. ANT suite clasts included in 61175 are, for the most part, granulites resulting from subsolidus recrystallization of norites, anorthosites or gabbros. This metamorphism appears to have occurred prior to the impact event forming 61175.

Winzer, S. R.↗

NASA NTRS1994

Theoretical studies of a molecular beam generator

We consider the problem of modeling a high temperature diatomic gas N2 flowing through a converging-diverging high expansion nozzle. The problem is modeled in two ways. The first model uses a single temperature with variable specific heats as functions of this temperature. For the second model we assume that the various degrees of freedom all have a Boltzmann population distribution which means that each degree of freedom has its own temperature and consequently each system state can be characterized by these temperatures. This suggests the formulation of a second model with a vibrational degree of freedom as having its own temperature along with a rotational-translational degree of freedom with its own temperature. Initially the vibrational degree of freedom is excited by heating the gas to a high temperature. As the high temperature gas expands through the nozzle throat there is a sudden drop in the rotational-translational temperature along with a finite relaxation time for the vibrational degree of freedom to achieve equilibrium with the rotational-translational degree of freedom. That is, the temperature change that occurs when the N2 gas passes through the nozzle throat is so great that the changes in the vibrational degree of freedom lags behind the rotational-translational energy changes. The resulting relaxation time is finite. It is in this context that the term nonequilibrium is used. That is, the term nonequilibrium denotes the fact that the energy content of the various degrees of freedom are characterized by two temperatures. We neglect any chemical reactions resulting from the high temperatures which could also add nonequilibrium effects. We develop the basic equations for the two models in various forms in order to check the derivations with other sources. The final form which is solved numerically consists of the scaled equations in a conservative dimensionless form.

Heinbockel, John H.↗