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NASA NTRS2015

The Impact of Assimilating Precipitation-affected Radiance on Cloud and Precipitation in Goddard WRF-EDAS Analyses

High-frequency TMI and AMSR-E radiances, which are sensitive to precipitation over land, are assimilated into the Goddard Weather Research and Forecasting Model- Ensemble Data Assimilation System (WRF-EDAS) for a few heavy rain events over the continental US. Independent observations from surface rainfall, satellite IR brightness temperatures, as well as ground-radar reflectivity profiles are used to evaluate the impact of assimilating rain-sensitive radiances on cloud and precipitation within WRF-EDAS. The evaluations go beyond comparisons of forecast skills and domain-mean statistics, and focus on studying the cloud and precipitation features in the jointed rainradiance and rain-cloud space, with particular attentions on vertical distributions of height-dependent cloud types and collective effect of cloud hydrometers. Such a methodology is very helpful to understand limitations and sources of errors in rainaffected radiance assimilations. It is found that the assimilation of rain-sensitive radiances can reduce the mismatch between model analyses and observations by reasonably enhancing/reducing convective intensity over areas where the observation indicates precipitation, and suppressing convection over areas where the model forecast indicates rain but the observation does not. It is also noted that instead of generating sufficient low-level warmrain clouds as in observations, the model analysis tends to produce many spurious upperlevel clouds containing small amount of ice water content. This discrepancy is associated with insufficient information in ice-water-sensitive radiances to address the vertical distribution of clouds with small amount of ice water content. Such a problem will likely be mitigated when multi-channel multi-frequency radiances/reflectivity are assimilated over land along with sufficiently accurate surface emissivity information to better constrain the vertical distribution of cloud hydrometers.

WRF-EDAS Analyses↗
NASA NTRS2015

Final Report on the Detection of Green Monopropellants

In 2014, National Aeronautics and Space Administration (NASA) Kennedy Space Center (KSC) funded a project titled "Familiarization and Detection of Green Monopropellants" utilizing Independent Research and Technology Development (IR&TD) and Center Innovation Fund (CIF) funding. The purpose of the project was to evaluate methods of detection for ammonium dinitramide (ADN) and hydroxylammonium nitrate (HAN). An Engineering Services Contract (ESC) task order was created with the scope of evaluation of several methods of detecting ADN- and HAN-based propellants, as well as development of methods for detection. Detection methods include developed methods such as colorimetric indicating absorbent socks, and commercial-off-the- shelf (COTS) units for ammonia detection. An additional goal of the task order was for ESC to become familiar with ADN's and HAN's material properties and material compatibility. Two approaches were initially investigated as possible methods for the detection of HAN (or AFM315E) and ADN (or LMP-103S). These approaches were colorimetric analysis and instrumentation-based COTS vapor sensors utilization. Initial testing showed that the relatively non-existent vapor pressure of the AF-M315E (of which HAN is a major component) propellant would make the use of COTS sensors difficult for real-time area monitoring of HAN; a small response was detected through the use of active COTS sensors, including the RAE Systems MultiRAE Lite and Drager X-act (registered) 5000, but the levels detected were below the threshold limit value for the toxic gas ammonia. Therefore, a detection system ased upon a colorimetric indicator impregnated into an absorbent material was developed. Preliminary analysis (ESC-245-FDG-001) identified a particularly outstanding candidate as a colorimetric indicator for the detection of the presence of AF-M315E in the form of a Methyl Red (Basic) indicator. Materials impregnated with this indicator exhibit significant color change and the materials are not susceptible to interference from exposure to water or carbon dioxide. The completed detection system for HAN/AF-M315E consists of absorbent socks packed with Fisher Universal Spill Absorbent capable of absorbing and containing any propellant spills that they come into contact with along with indicating wipes. The absorbent socks are also chemically treated with a Methyl Red (Basic) indicator solution to provide the end user with a visual indication that a leak has occurred and proper protective precautions must be undertaken. An added benefit of this detection system is that the absorbent socks should neutralize/absorb any commodity that it comes into contact with (until saturation is reached). Additional adsorbent socks can be deployed until a color change is not seen, indicating that the HAN/AF-M315E contamination has been contained. The indicating wipes provide the user the opportunity to wipe surfaces to determine if there is any HAN/AF-M315E or HAN/AFM315E residue present. The wipes should allow the detection of fuel levels that may be too small to detect with the absorbent socks. The development of a detection system for the ADN/LMP-103S focused on the use of various COTS sensors used as real-time area monitoring devices and personal dosimeters. These COTS based sensor systems were of several different types, including both actively pumped and diffusion-based passive systems, as well as a "rope"-type chemical sensing cable. The results highlighted some of the major differences between the two monopropellants undergoing evaluation. Unlike HAN, ADN (which is the major constituent of LMP-103S) exhibits a much more volatile nature in comparison to AF-M315E. In fact, testing showed that a large percentage of the fuel was lost during the sampling measurement (greater than 10 percent by mass); although this testing cannot tell if the volatile component is the ADN itself or another component of the monopropellant solution. Not surprisingly, all four of the procured vapor-based COTS sensors showed positive results when exposed to solutions of the LMP-103S (ESC-245-FDG-002). The completed detection system for ADN/LMP-103S consists of a combination of two of the tested COTS sensor systems, the RAE Systems MultiRAE Lite and the BW Technologies GasAlert Extreme. These systems are meant to be used in conjunction with one another, which allows for the end-user to have both real-time area monitoring (MultiRAE Lite) as well as a personal dosimeter device (GasAlert Extreme) which can be worn as additional personal protective equipment. An stainless steel extension wand was fabricated and included in the detection system for the MultiRAE Lite to allow for more remote sensing, and connects via the active pumping inlet of the sensor. As stated, the final results of this testing resulted in the production of two "kits" which can be used for the detection of HAN/AF-M315E and ADN/LMP-103s (ESC-245-FDG-003).

Detection↗
NASA NTRS2016

Technical Reference Suite Addressing Challenges of Providing Assurance for Fault Management Architectural Design

Research into complexities of software systems Fault Management (FM) and how architectural design decisions affect safety, preservation of assets, and maintenance of desired system functionality has coalesced into a technical reference (TR) suite that advances the provision of safety and mission assurance. The NASA Independent Verification and Validation (IVV) Program, with Software Assurance Research Program support, extracted FM architectures across the IVV portfolio to evaluate robustness, assess visibility for validation and test, and define software assurance methods applied to the architectures and designs. This investigation spanned IVV projects with seven different primary developers, a wide range of sizes and complexities, and encompassed Deep Space Robotic, Human Spaceflight, and Earth Orbiter mission FM architectures. The initiative continues with an expansion of the TR suite to include Launch Vehicles, adding the benefit of investigating differences intrinsic to model-based FM architectures and insight into complexities of FM within an Agile software development environment, in order to improve awareness of how nontraditional processes affect FM architectural design and system health management.

Fitz, Rhonda↗
DOE OSTI2020

Regulatory Decision-Making Process Using 'Weight of Evidence: An Evidence Integration Approach' by the State of Washington at the Hanford Site - 20163

Performance Assessment and Environmental Impact Statement Modeling, Human and Ecological Risk Assessments are the tools used by the Washington State Department of Ecology (Ecology) to make regulatory decisions for permitting and cleanup. These efforts all inherently have large amounts of uncertainty no matter how many alternative approaches are attempted. Professional feedback from tribal governments, stakeholders, federal and state regulators, the public and independent peer review groups are taken into account in this process of informed decision making. The process also includes full evaluation of the comments and the associated reviews made by the various peer review groups such as the Low -Level Waste Disposal Facility Federal Review Group (DOE order 435.1) and the Nuclear Regulatory Commission (NRC). The evolution of technology has produced quicker and more efficient fate and transport modeling tools with related quantification of uncertainties and their significance. Groundwater and vadose zone models have been expanded across the entire Hanford site. Many of the technical approaches identified in the Washington State Regulations are updated using current knowledge to better understand the complexities of the Hanford Site using the latest state of the art tools for risk assessment and modeling. More emphasis and time are directed on defining uncertainty and then managing the uncertainty. One added tool is to run sensitivity cases based on informed decision making. The weight of evidence approach considers all relevant information in an integrative assessment that takes into account the kinds of evidence available, the quality and quantity, the uncertainty and error associated with each type, and how they fit together. Evidence of integration involves looking at systematic reviews and evaluating their strengths and weaknesses. In conclusion, Ecology, Washington State's lead regulatory agency at the Hanford site, has had to modify its site closure approach compared to the rest of the state. A more holistic approach dealing with the Hanford site as an integrated system has evolved leading to a defensible informed approach for regulatory closure decisions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

An Observational Evaluation of RKW Theory over the U.S. Southern Great Plains

The theory of Rotunno et al. (“RKW” theory) addresses the behavior of squall-line cold pools in vertically sheared flows. It predicts that, within a given thermodynamic environment, a balance between baroclinic vorticity generation by the cold pool and low-level environmental vertical wind shear induces an upright updraft along the gust front that maximizes the initiation of new convective cells. Although this theory has been evaluated numerically, its applicability to observed systems remains unclear and is limited by a lack of critical measurements, including high-frequency thermodynamic and wind profiles across the gust front. Herein, observations from the Atmospheric Radiation Measurement Southern Great Plains (ARM-SGP) observatory near Lamont, Oklahoma, are used to evaluate RKW theory for 10 well-observed squall lines over a 11-yr period. For this evaluation, RKW parameters including cold-pool intensity (c), low-level ambient, line-normal vertical shear (ΔV n ), subcloud and cloud-layer updraft tilts, and multiple measures of system intensity are estimated. Furthermore, the c estimates rely on thermodynamic retrievals from the Atmosphere Emitted Radiance Interferometer (AERI), which are uncertain but verify reasonably well against independent observations. As predicted by the theory, for c/ΔV n ≥ 1, c/ΔV n correlates positively with updraft tilt and negatively with system intensity, but these results are not always statistically significant and are also sensitive to the method by which ΔV n is evaluated. Specifically, ΔV n evaluations that extend above the cold-pool top yield greater consistency with RKW predictions. Also, some measures of intensity correlate more strongly with standard moist instability metrics than with RKW parameters.

Cold pools↗
NASA NTRS1975

Crop status evaluations and yield predictions

A model was developed for predicting the day 50 percent of the wheat crop is planted in North Dakota. This model incorporates location as an independent variable. The Julian date when 50 percent of the crop was planted for the nine divisions of North Dakota for seven years was regressed on the 49 variables through the step-down multiple regression procedure. This procedure begins with all of the independent variables and sequentially removes variables that are below a predetermined level of significance after each step. The prediction equation was tested on daily data. The accuracy of the model is considered satisfactory for finding the historic dates on which to initiate yield prediction model. Growth prediction models were also developed for spring wheat.

Haun, J. R.↗
NASA NTRS1990

Design, analysis, and testing of a reusable wingbox for ballistic evaluation of composite structures

Future fighter aircraft will continue to be subjected to severe mechanical loading and ballistic impact. In the past aircraft primary wing structure was constructed predominantly with aluminum, but with increasing aircraft performance the need for more structurally efficient materials is necessary. In an attempt to achieve structural efficiency requirements, aircraft designers have begun using an increasing amount of composite materials. Composite materials were indicated to have a low level of ballistic tolerance in some applications. Composite materials possess the characteristic of structural tailoring, which was utilized to demonstrate that survivability can be designed into a structure. The combat flight environment subjects fighter aircraft wing structures to the effects of combined loading during ballistic impact. These loads were previously demonstrated independently, i.e., the application of structural load, hydrodynamic ram damage, and the effects of airflow. The objective was to design a reusable test fixture for the ballistic evaluation of advanced composite structures under all the effects of combined loading. The fixture that was developed provides a test bed that can completely simulate the flight environment of a generic fighter aircraft wing, but can be used for an indefinite number and variety of tests. It is intended that this fixture will provide a standardized method of ballistically evaluating an advanced composite primary wing structure. This fixture will be used to accomplish the development of designs and/or advanced concepts that lead to a survivable composite wing structure.

Baron, W. G.↗
NASA NTRS2019

ESD Reviews: Model Dependence in Multi-Model Climate Ensembles: Weighting, Sub-Selection and Out-Of-Sample Testing

The rationale for using multi-model ensembles in climate change projections and impacts research is often based on the expectation that different models constitute independent estimates; therefore, a range of models allows a better characterisation of the uncertainties in the representation of the climate system than a single model. However, it is known that research groups share literature, ideas for representations of processes, parameterisations, evaluation data sets and even sections of model code. Thus, nominally different models might have similar biases because of similarities in the way they represent a subset of processes, or even be near-duplicates of others, weakening the assumption that they constitute independent estimates. If there are near-replicates of some models, then treating all models equally is likely to bias the inferences made using these ensembles. The challenge is to establish the degree to which this might be true for any given application. While this issue is recognised by many in the community, quantifying and accounting for model dependence in anything other than an ad-hoc way is challenging. Here we present a synthesis of the range of disparate attempts to define, quantify and address model dependence in multi-model climate ensembles in a common conceptual framework, and provide guidance on how users can test the efficacy of approaches that move beyond the equally weighted ensemble. In the upcoming Coupled Model Intercomparison Project phase 6 (CMIP6), several new models that are closely related to existing models are anticipated, as well as large ensembles from some models. We argue that quantitatively accounting for dependence in addition to model performance, and thoroughly testing the effectiveness of the approach used will be key to a sound interpretation of the CMIP ensembles in future scientific studies.

Abramowitz, Gab↗
DOE OSTI2026

Beyond Contrast Transfer: Spectral SNR as a Finite-Dose Metric for STEM Phase Retrieval

The contrast transfer function (CTF) is widely used to evaluate phase retrieval methods in scanning transmission electron microscopy (STEM), including center-of-mass imaging, parallax imaging, direct ptychography, and iterative ptychography. However, the CTF reflects only the maximum usable signal, neglecting the effects of finite electron fluence and the Poisson-limited nature of detection. As a result, it can significantly overestimate practical performance, especially in low-dose regimes. Here, we employ the spectral signal-to-noise ratio (SSNR), as a finite-dose statistical framework to evaluate the recoverable signal as a function of spatial frequency. Using numerical reconstructions of white-noise objects, we show that center-of-mass, parallax, and direct ptychography exhibit dose-independent SSNRs, with close-form analytic expressions. In contrast, iterative ptychography exhibits a surprising dose dependence: at low fluence, its SSNR converges to that of direct ptychography; at high fluence, it saturates at a value consistent with the maximum detective quantum efficiency predicted by recent quantum Fisher information bounds. The results highlight the limitations of CTF-based evaluation and motivate SSNR as a more accurate, finite-dose metric for assessing STEM phase retrieval methods.

STEM phase retrieval↗
NASA NTRS2021

Probabilistic Processing of Asynchronous Geiger-Mode Avalanche Photodiode Arrays for Background Rate Measurements

A system-level performance evaluation of Geiger-mode avalanche photodiode (GmAPD) arrays requires accurate measurement and prediction of the background rate of the device due to dark counts and other spurious detection events. Since a GmAPD detector reports only a binary value and timestamp associated with an avalanche event, dark count rates are typically measured by averaging thousands of frames to support a statistically significant measurement. For both synchronous and asynchronous detector, the Poisson distributed background rates are referenced to the time each pixel is armed. Unlike for synchronous GmAPD imagers where all the pixels are armed to an array-wide arm signal, an asynchronous pixel operates independently from its neighboring pixels; requiring the background rates to be calculated using an interarrival histogram. For both types of imagers, the background rate is typically evaluated by fitting an exponential distribution to a fixed window within a measured histogram of time intervals between detection events However, if the statistics of the background rate are insufficient – whether that is due to low population sizes, saturation, or a large dynamic range of population size across the array, the pixel, or array-wide, performance metrics may report results with varying accuracy. This paper reports on an implementation of an algorithm that evaluates GmAPD background rates based on statistical metrics rather than fixed windows. The algorithm functions by determining the appropriate integration window within the interarrival time histogram based on a per-pixel count rate set by a predetermined tolerable measurement error. The implementation of the algorithm allows us to characterize GmAPD arrays with orders of magnitude spread in background rates across the detector using common statistical parameters.

Mumolo, J.↗
NASA NTRS1981

Development and evaluation of a prototype in-flight instrument flight rules (IFR) procedures trainer

An in-flight instrument flight rules (IFR) procedures trainer capable of providing simulated indications of instrument flight in a typical general aviation aircraft independent of ground based navigation aids was developed. The IFR navaid related instruments and circuits from an ATC 610J table top simulator were installed in a Cessna 172 aircraft and connected to its electrical power and pitot static systems. The benefits expected from this hybridization concept include increased safety by reducing the number of general aviation aircraft conducting IFR training flights in congested terminal areas, and reduced fuel use and instruction costs by lessening the need to fly to and from navaid equipped airports and by increased efficiency of the required in-flight training. Technical feasibility was demonstrated and the operational feasibility of the concept was evaluated. Results indicated that the in-flight simulator is an effective training device for teaching IFR procedural skills.

Aaron, J. B., Jr.↗
DOE OSTI2021

OBO Foundry in 2021: operationalizing open data principles to evaluate ontologies

Biological ontologies are used to organize, curate and interpret the vast quantities of data arising from biological experiments. While this works well when using a single ontology, integrating multiple ontologies can be problematic, as they are developed independently, which can lead to incompatibilities. The Open Biological and Biomedical Ontologies (OBO) Foundry was created to address this by facilitating the development, harmonization, application and sharing of ontologies, guided by a set of overarching principles. One challenge in reaching these goals was that the OBO principles were not originally encoded in a precise fashion, and interpretation was subjective. Here, we show how we have addressed this by formally encoding the OBO principles as operational rules and implementing a suite of automated validation checks and a dashboard for objectively evaluating each ontology’s compliance with each principle. This entailed a substantial effort to curate metadata across all ontologies and to coordinate with individual stakeholders. We have applied these checks across the full OBO suite of ontologies, revealing areas where individual ontologies require changes to conform to our principles. Our work demonstrates how a sizable, federated community can be organized and evaluated on objective criteria that help improve overall quality and interoperability, which is vital for the sustenance of the OBO project and towards the overall goals of making data Findable, Accessible, Interoperable, and Reusable (FAIR).

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
NASA NTRSDate not supplied

TriTruss Packaging and Deployment Trade Study

A trade study was conducted that evaluated viable concepts of operation for the packaging and deployment (P&D) of novel deployable modular truss modules, called TriTruss modules, that can be assembled to form a large aperture In-Space Assembled Telescopes (iSAT). In this first phase of an ongoing more comprehensive trade study, concepts were proposed and then evaluated based on initial metrics representing features of an ideal P&D concept. The ideal TriTruss P&D concept is defined as one that: allows for efficient packaging, has sufficient geometric versatility to be launch vehicle independent, provides a stiff and lightweight structure, has low mechanical complexity, and has component modularity. The P&D concept should allow for prelaunch subsystem or utility integration if required. The concept should be kinematically simple and be robotically deployed using a minimum number of specialized tools. The P&D concepts evaluated are categorized as: core collapse, face collapse, and erectable structures. Sub-scale models were constructed to help understand the kinematics and mechanical complexity required to enable P&D. Based on a weighting scale, the most promising candidate P&D concepts have been selected and will undergo more rigorous structural design, analysis, and testing in the study’s next phase. The ultimate goal of the comprehensive trade study will be to recommend a single TriTruss design and associated P&D concept that will be built and evaluated at NASA Langley Research Center’s In-Space Assembly Laboratory.

in-space assembly (ISA)↗
DOE OSTI2020

Reactions of Propyl Radicals: A Shock Tube - VUV Photoionization Mass Spectrometry Study

The pyrolytic reactions of n-propyl and i-propyl radicals and their precursors have been investigated at elevated temperatures and pressures (600 – 900 K and 5 – 8 bar). The studies were performed in a miniature high repetition rate shock tube with synchrotron vacuum ultraviolet photoionization mass spectrometry yielding comprehensive datasets of temporal and photoionization energy dependencies of reagents and products. The propyl radicals were generated by pyrolysis of alkyl nitrites. In addition to the main decomposition path, NO elimination, the mass spectra allowed an alternative minor path via HNO elimination to be identified and quantified. For the n-propyl precursor the HNO elimination route accounted for 9% of the alkyl nitrite while for the i-propyl precursor it was 2.5%. These values are in good agreement with a recent study on i-butyl radicals in the same apparatus at similar conditions. The ratio of disproportionation/recombination was obtained for n- propyl from the relative concentrations of n-hexane and propene and for i-propyl from 2,3-dimethyl butane and propene. For n-propyl the ratio is 0.3 and 1.2 for i-propyl, both are independent of temperature and pressure over the experimental range. The disproportionation/recombination ratios are about a factor of 2 higher than prior evaluations that are based mainly on room temperature data. The experimental results are some of the first from the apparatus used and comments are made about the technique, challenges encountered, and suggestions for future developments.

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

Benchmarking Correlation-Consistent Basis Sets for Frequency-Dependent Polarizabilities with Multiresolution Analysis

This paper presents the first converged frequency-dependent HF polarizability results for general molecules, on a set of 89 closed-shell atoms and molecules. The solver employs multiresolution analysis (MRA) in a multiwavelet basis to compute both ground and response states to a guaranteed precision, which are validated against independent numerical grid calculations on atoms and linear molecules. The MRA ground-state energies and response properties are used to evaluate results in correlation-consistent basis sets up to 5Z augmented with either single or double diffuse functions and core-polarization functions. Systematic trends are revealed through consideration of chemical composition as well as the use of machine learning to cluster convergence trends, the latter suggesting the possibility of learning and correcting basis-set error.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Cancer genomics predicts disease relapse and therapeutic response to neoadjuvant chemotherapy of hormone sensitive breast cancers

Several studies provide insight into the landscape of breast cancer genomics with the genomic characterization of tumors offering exceptional opportunities in defining therapies tailored to the patient’s specific need. However, translating genomic data into personalized treatment regimens has been hampered partly due to uncertainties in deviating from guideline based clinical protocols. Here we report a genomic approach to predict favorable outcome to treatment responses thus enabling personalized medicine in the selection of specific treatment regimens. The genomic data were divided into a training set of N = 835 cases and a validation set consisting of 1315 hormone sensitive, 634 triple negative breast cancer (TNBC) and 1365 breast cancer patients with information on neoadjuvant chemotherapy responses. Patients were selected by the following criteria: estrogen receptor (ER) status, lymph node invasion, recurrence free survival. The k-means classification algorithm delineated clusters with low- and high- expression of genes related to recurrence of disease; a multivariate Cox’s proportional hazard model defined recurrence risk for disease. Classifier genes were validated by Immunohistochemistry (IHC) using tissue microarray sections containing both normal and cancerous tissues and by evaluating findings deposited in the human protein atlas repository. Based on the leave-on-out cross validation procedure of 4 independent data sets we identified 51-genes associated with disease relapse and selected 10, i.e. TOP2A, AURKA, CKS2, CCNB2, CDK1 SLC19A1, E2F8, E2F1, PRC1, KIF11 for in depth validation. Expression of the mechanistically linked disease regulated genes significantly correlated with recurrence free survival among ER-positive and triple negative breast cancer patients and was independent of age, tumor size, histological grade and node status. Importantly, the classifier genes predicted pathological complete responses to neoadjuvant chemotherapy (P < 0.001) with high expression of these genes being associated with an improved therapeutic response toward two different anthracycline-taxane regimens; thus, highlighting the prospective for precision medicine. Our study demonstrates the potential of classifier genes to predict risk for disease relapse and treatment response to chemotherapies. The classifier genes enable rational selection of patients who benefit best from a given chemotherapy thus providing the best possible care. The findings encourage independent clinical validation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Transport of metformin metabolites by guanidinium exporters of the small multidrug resistance family

Proteins from the small multidrug resistance (SMR) family are frequently associated with horizontally transferred multidrug resistance gene arrays found in bacteria from wastewater and the human-adjacent biosphere. Recent studies suggest that a subset of SMR transporters might participate in the metabolism of the common pharmaceutical metformin by bacterial consortia. Here, we show that both genomic and plasmid-associated transporters of the SMRGdx functional subtype export byproducts of microbial metformin metabolism, with particularly high export efficiency for guanylurea. We use solid-supported membrane electrophysiology to evaluate the transport kinetics for guanylurea and native substrate guanidinium by four representative SMRGdx homologs. Using an internal reference to normalize independent electrophysiology experiments, we show that transport rates are comparable for genomic and plasmid-associated SMRGdx homologs, and using a proteoliposome-based transport assay, we show that 2 proton:1 substrate transport stoichiometry is maintained. Additional characterization of guanidinium and guanylurea export properties focuses on the structurally characterized homolog, Gdx-Clo, for which we examined the pH dependence and thermodynamics of substrate binding and solved an x-ray crystal structure with guanylurea bound. Together, these experiments contribute in two main ways. By providing the first detailed kinetic examination of the structurally characterized SMRGdx homolog Gdx-Clo, they provide a functional framework that will inform future mechanistic studies of this model transport protein. Second, this study casts light on a potential role for SMRGdx transporters in microbial handling of metformin and its microbial metabolic byproducts, providing insight into how native transport physiologies are co-opted to contend with new selective pressures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The impact of new d(p,γ)3 rates on Big Bang Nucleosynthesis

We consider the effect on Big Bang Nucleosynthesis (BBN) of new measurements of the d(p,γ) 3 He cross section by the LUNA Collaboration. These have an important effect on the primordial abundance of D/H which is also sensitive to the baryon density at the time of BBN. We have re-evaluated the thermal rate for this reaction, using a world average of cross section data, which we describe with model-independent polynomials; our results are in good agreement with a similar analysis by LUNA. We then perform a full likelihood analysis combining BBN and Planck cosmic microwave background (CMB) likelihood chains using the new rate combined with previous measurements and compare with the results using previous rates. Concordance between BBN and CMB measurements of the anisotropy spectrum using the old rates was excellent. The predicted deuterium abundance at the Planck value of the baryon density was (D/H) BBN+CMB old = (2.57 ± 0.13) × 10 –5 which can be compared with the value determined from quasar absorption systems (D/H) obs = (2.55 ± 0.03) × 10 –5 . Using the new rates we find (D/H) BBN+CMB = (2.51 ± 0.11) × 10 –5 . We thus find consistency among BBN theory, deuterium and 4He observations, and the CMB, when using reaction rates fit in our data-driven approach. We also find that the new reaction data tightens the constraints on the number of relativistic degrees of freedom during BBN, giving the effective number of light neutrino species N ν = 2.880 ± 0.144 in good agreement with the Standard Model of particle physics. Lastly, we note that the observed deuterium abundance continues to be more precise than the BBN+CMB prediction, whose error budget is now dominated by d(d,n) 3 He and d(d,p) 3 H.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗