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At least 181 records · Page 10

X-ray fluorescence microscopy methods for biological tissues

Abstract Synchrotron-based X-ray fluorescence microscopy is a flexible tool for identifying the distribution of trace elements in biological specimens across a broad range of sample sizes. The technique is not particularly limited by sample type and can be performed on ancient fossils, fixed or fresh tissue specimens, and in some cases even live tissue and live cells can be studied. The technique can also be expanded to provide chemical specificity to elemental maps, either at individual points of interest in a map or across a large field of view. While virtually any sample type can be characterized with X-ray fluorescence microscopy, common biological sample preparation methods (often borrowed from other fields, such as histology) can lead to unforeseen pitfalls, resulting in altered element distributions and concentrations. A general overview of sample preparation and data-acquisition methods for X-ray fluorescence microscopy is presented, along with outlining the general approach for applying this technique to a new field of investigation for prospective new users. Considerations for improving data acquisition and quality are reviewed as well as the effects of sample preparation, with a particular focus on soft tissues. The effects of common sample pretreatment steps as well as the underlying factors that govern which, and to what extent, specific elements are likely to be altered are reviewed along with common artifacts observed in X-ray fluorescence microscopy data.

Pushie, M. Jake (ORCID:0000000174945427)↗

Large scale 20mm photography for range resources analysis in the Western United States

Large scale 70mm aerial photography is a valuable supplementary tool for rangeland studies. A wide assortment of applications were developed varying from vegetation mapping to assessing environmental impact on rangelands. Color and color infrared stereo pairs are useful for effectively sampling sites limited by ground accessibility. They allow an increased sample size at similar or lower cost than ground sampling techniques and provide a permanent record.

Tueller, P. T.↗

An iterative procedure for obtaining maximum-likelihood estimates of the parameters for a mixture of normal distributions, 2

The problem of obtaining numerically maximum likelihood estimates of the parameters for a mixture of normal distributions is addressed. In recent literature, a certain successive approximations procedure, based on the likelihood equations, is shown empirically to be effective in numerically approximating such maximum-likelihood estimates; however, the reliability of this procedure was not established theoretically. Here, a general iterative procedure is introduced, of the generalized steepest-ascent (deflected-gradient) type, which is just the procedure known in the literature when the step-size is taken to be 1. With probability 1 as the sample size grows large, it is shown that this procedure converges locally to the strongly consistent maximum-likelihood estimate whenever the step-size lies between 0 and 2. The step-size which yields optimal local convergence rates for large samples is determined in a sense by the separation of the component normal densities and is bounded below by a number between 1 and 2.

Peters, B. C., Jr.↗

A Comparison Study of Normal-Incidence Acoustic Impedance Measurements of a Perforate Liner

The eduction of the acoustic impedance for liner configurations is fundamental to the reduction of noise from modern jet engines. Ultimately, this property must be measured accurately for use in analytical and numerical propagation models of aircraft engine noise. Thus any standardized measurement techniques must be validated by providing reliable and consistent results for different facilities and sample sizes. This paper compares normal-incidence acoustic impedance measurements using the two-microphone method of ten nominally identical individual liner samples from two facilities, namely 50.8 mm and 25.4 mm square waveguides at NASA Langley Research Center and the University of Florida, respectively. The liner chosen for this investigation is a simple single-degree-of-freedom perforate liner with resonance and anti-resonance frequencies near 1.1 kHz and 2.2 kHz, respectively. The results show that the ten measurements have the most variation around the anti-resonance frequency, where statistically significant differences exist between the averaged results from the two facilities. However, the sample-to-sample variation is comparable in magnitude to the predicted cross-sectional area-dependent cavity dissipation differences between facilities, providing evidence that the size of the present samples does not significantly influence the results away from anti-resonance.

Schultz, Todd↗

Reconciling Chord Length Distributions and Area Distributions for Fields of Fractal Cumulus Clouds

While the total cover of broken cloud fields can in principle be obtained from one-dimensional measurements, the cloud size distribution normally differs between two-dimensional (area) and one-dimensional retrieval (chord length) methods. In this study, we use output from high-resolution Large Eddy Simulations to generate a transfer function between the two. We retrieve chord lengths and areas for many clouds, and plot the one as a function of the other, and vice versa. We find that the cloud area distribution conditional on the chord length behaves like a gamma distribution with well-behaved parameters, with a mean μ=1.1L and a shape parameter β=L−0.645. Using this information, we are able to generate a transfer function that can adjust the chord length distribution so that it comes much closer to the cloud area distribution. Our transfer function improves the error in predicting the mean cloud size, and is performs without strong biases for smaller sample sizes. However, we find that the method is still has difficulties in accurately predicting the frequency of occurrence of the largest cloud sizes.

54 ENVIRONMENTAL SCIENCES↗

A Modal-Parameter Extraction Procedure

Procedure accommodates multiple input excitations. Improved modalparameter extraction procedure applicable to linear, time-invariant systems derived in 92-page report. Algorithm allows multiple noncoherent input excitations applied to structure and generates consistent set of modal parameters. Procedure extension of simultaneous frequency-domain (SFD) techniques achieved through investigation of two automatic methods for reducing effective problem size while minimizing amount of user interaction. In several sample runs, independentcoordinate reduction method shown more accurate method for small sample size. Principle-component method used to estimate number of modes active in given frequency range.

Kurdila, A. H.↗

Analysis of Igniter/Promoter Material Effects on Burn Length Variability in Astm G124 Standard Testing

ASTM G124 refers to the “Standard Test Method for Determining the Combustion Behavior of Metallic Materials in Oxygen Enriched Atmospheres”. Major test parameters are well defined in the standard and a detailed description of how to set up and conduct the test is also included. However, one variable - the igniter/promoter system - is not clearly restricted or specified. Due to the fact that this igniter/promoter system is not definitively specified, multiple materials have been used. This lack of specificity in igniter/promoter material was identified as a potential source of variability in test results, and as such has been selected for this study as a parameter to analyze and identify if the igniters/promoters should be standardized. For that purpose, several igniter/promoter systems have been selected (that were currently in use at various laboratories) which would be tested via ASTM G124 with Inconel 718 test rods. Testing was conducted over two phases – the first for screening promoter effects in the transition region of the material, and the second for comparing measured flammability thresholds identified through testing by each igniter/promoter type. The results of this study have found that igniter/promoter material is not a statistically significant factor in the variability of burn length in test samples. Initial results showing variability was likely due to small sample size, as the issue became less pronounced once more samples were tested and more data generated. Each of the igniter/promoter systems tested were effective at determining flammability thresholds and so it is concluded that no specific igniter/promoter needs to be identified in the ASTM G124 test standard.

oxygen compatibility↗

Multiscale Modeling of Reconstructed Tricalcium Silicate using NASA Multiscale Analysis Tool

To study microstructure characteristics of cementitious materials hydrated in space; previously, cement binder formations were processed under microgravity conditions and was further compared against ground-based experiments. For accurate estimation of process-structure-property linkage, particularly on samples hydrated in the microgravity environment, it is desired to have a high-fidelity volumetric representation of the microstructure. However, owing to small sample size and high porosity of the space-returned samples, conventional experimental characterization techniques are not viable. Hence, a deep learning-based reconstruction algorithm was employed to obtain high fidelity 3D volumes from sparse high resolution 2D Scanning Electron Microscopy (SEM) images, as inputs to micromechanics-based modeling. This machine learning-based reconstruction methodology validated against low-order statistical descriptors, captured the microstructural topology of both sample types (ground, 1g and microgravity, μg). Due to the lack of gravity, hydration products of the samples processed in space differed from those processed-on ground. Such AI-generated virtual samples were analyzed in a multiscale recursive micromechanics approach using the NASA Multiscale Analysis Tool (NASMAT). Here, we present a methodology to rapidly integrate and evaluate these AI-generated volumes in NASMAT. The synthesized microstructural volumes are directly employed as Representative Volume Elements (RVEs) to preserve the fidelity (1 pixel = 0.54 m). Invariably, analysis of such largescale problems (5123 voxels) requires huge amount of computational resources. By taking advantage of the NASMAT architecture, we also focused on systematic multiscale integration of these AI-reconstructed virtual volumes to reduce the computational demands. In this work, this methodology is demonstrated on the ground-based, 1g samples. The estimated stiffness value of 15.90 GPa is comparable to experimentally obtained modulus of hydrated tricalcium silicate sample. The workflow presented here paves the way for utilizing the NASMAT tool to perform multiscale analyses of other multi-phase material systems using either 3D virtual datasets synthesized using AI or obtained via micro-CT.

Machine Learning↗

Genesis Ultrapure Water Megasonic Wafer Spin Cleaner

A device removes, with high precision, the majority of surface particle contamination greater than 1-micron-diameter in size from ultrapure semiconductor wafer materials containing implanted solar wind samples returned by NASA's Genesis mission. This cleaning device uses a 1.5-liter/minute flowing stream of heated ultrapure water (UPW) with 1- MHz oscillating megasonic pulse energy focused at 3 to 5 mm away from the wafer surface spinning at 1,000 to 10,000 RPM, depending on sample size. The surface particle contamination is removed by three processes: flowing UPW, megasonic cavitations, and centripetal force from the spinning wafer. The device can also dry the wafer fragment after UPW/megasonic cleaning by continuing to spin the wafer in the cleaning chamber, which is purged with flowing ultrapure nitrogen gas at 65 psi (.448 kPa). The cleaner also uses three types of vacuum chucks that can accommodate all Genesis-flown array fragments in any dimensional shape between 3 and 100 mm in diameter. A sample vacuum chuck, and the manufactured UPW/megasonic nozzle holder, replace the human deficiencies by maintaining a consistent distance between the nozzle and wafer surface as well as allowing for longer cleaning time. The 3- to 5-mm critical distance is important for the ability to remove particles by megasonic cavitations. The increased UPW sonication time and exposure to heated UPW improve the removal of 1- to 5-micron-sized particles.

Allton, Judith H.↗

A review of imputation strategies for isobaric labeling-based shotgun proteomics

The throughput efficiency and increased depth of coverage provided by isobaric-labeled proteomics measurements have led to increased usage of these techniques. However, the structure of missing data is uniquely different than unlabeled studies. In this review, we compare the efficacy of nine imputation methods on a CPTAC proteomics iTRAQ dataset. Imputation methods were evaluated with regard to accuracy, variability, statistical hypothesis test inference and run time over datasets consisting of varying number of iTRAQ plexes and percentages of missing data. In general, expectation maximization and random forest imputation methods yielded the best performances, and constant-based methods performed poorly consistently across all dataset sizes and percentages of missing values. For datasets with small sample sizes and higher percentages of missing data, results indicate that statistical inference with no imputation may be preferable. Based on the findings in this review, there are core imputation methods that perform higher for isobaric-labeled proteomics data, but great care and consideration as to whether imputation should be used should be given for datasets comprised of a small number of samples, as well as to factors such as computational time and reproducibility of imputation values.

Bramer, Lisa M.↗

Electrostatic Beneficiation of Lunar Simulant

Electrostatic beneficiation of lunar regolith is a method allowing refinement of specific minerals in the material for processing on the moon. The use of tribocharging the regolith prior to separation was investigated on the lunar simulant MLS-I by passing the dust through static mixers constructed from different materials; aluminum, copper, stainless steel, and polytetrafluoroethylene (PTFE). The amount of charge acquired by the simulant was dependent upon the difference in the work function of the dust and the charging material. XPS and SEM were used to characterize the simulant after it was sieved into five size fractions (> 100 pm, 75-100 pm, 50- 75 pm, 50-25 pm, and < 25 pm), where very little difference in surface composition was observed between the sizes. Samples of the smallest (< 25 pm) and largest (> 100 pm) size fractions were beneficiated through a charge separator using the aluminum (charged the simulant negatively) and PTFE (charged positively) mixers. The mass fractions of the separated simulant revealed that for the larger particle size, significant unipolar charging was observed for both mixers, whereas for the smaller particle sizes, more bipolar charging was observed, probably due to the finer simulant adhering to the inside of the mixers shielding the dust from the charging material. Subsequent XPS analysis of the beneficiated fractions showed the larger particle size fraction having some species differentiation, but very little difference for the smaller.size. Although MLS-1 was made to have similar chemistry to actual lunar dust, its mineralogy is quite different. On-going experiments are using NASA JSC-1 lunar simulant. A vacuum chamber has been constructed, and future experiments are planned in a simulated lunar environment.

Trigwell, Steve↗

An iterative procedure for obtaining maximum-likelihood estimates of the parameters for a mixture of normal distributions

This paper addresses the problem of obtaining numerically maximum-likelihood estimates of the parameters for a mixture of normal distributions. In recent literature, a certain successive-approximations procedure, based on the likelihood equations, was shown empirically to be effective in numerically approximating such maximum-likelihood estimates; however, the reliability of this procedure was not established theoretically. Here, we introduce a general iterative procedure, of the generalized steepest-ascent (deflected-gradient) type, which is just the procedure known in the literature when the step-size is taken to be 1. We show that, with probability 1 as the sample size grows large, this procedure converges locally to the strongly consistent maximum-likelihood estimate whenever the step-size lies between 0 and 2. We also show that the step-size which yields optimal local convergence rates for large samples is determined in a sense by the 'separation' of the component normal densities and is bounded below by a number between 1 and 2.

Peters, B. C., Jr.↗

ChIPPS: Charged Information-storage Polymer Preparation System

Technological advances are required to support principal science objectives of missions to the solar system’s icy worlds to seek biosignatures of past/extant life. Sensitivity and reliability are key concerns due to small sample sizes (µL – mL) and the extraordinary import of the results. The preparation and processing of small samples can constrain limits of detection (LoDs); therefore, the Charged Information-storage Polymer Preparation System (ChIPPS) project is advancing the technologies of autonomous sample preparation and processing to add a new class of reliably detectable biosignatures: charged polymers and particles, which can be the information storage-and-transmission means for life. Specifically, we are developing an integrated microfluidic sample-processing unit to prepare icy-world samples to support complementary solid-state nanopore-based analyses: 1) charged-polymer analysis, to characterize variations in polymer chain size, shape, and charge vs. position along the chain; 2) polymer and nanoparticle sizing-and-counting, to characterize the relative abundance of polymer chains, as well as small (virus-sized) particles, by their dimensions and charge. Although no such autonomous system presently exists, such measurements can reveal the nature and abundance of charged polymers that could be used by biological systems to store and transfer information—as DNA and RNA are used terrestrially—without limitation to terrestrial nucleic acids, given that life elsewhere may utilize different information store-and-transfer moieties. Key system components include (a) a lysis unit for mechanical sample disruption; b) an ion-exchange column for charged macromolecule/nanoparticle purification; c) dialyzer to remove excess salt; d) concentrator to enhance signal; e) supporting pumps, valves, bubble traps, connectors, filters, etc.; f) interface to nanopore detection instruments.

Space Biology↗

Efficient Bayesian inference with latent Hamiltonian neural networks in No-U-Turn Sampling

When sampling for Bayesian inference, one popular approach in the computational field is to use Hamiltonian Monte Carlo (HMC) and specifically the No-U-Turn Sampler (NUTS), which automatically decides the end time of the Hamiltonian trajectory. However, HMC and NUTS can require numerous numerical gradients of the target density and can prove slow in practice when relying on computationally expensive forward models. We propose Latent Hamiltonian neural networks (L-HNNs) with HMC and NUTS for solving Bayesian inference problems. Once trained, L-HNNs do not require numerical gradients of the target density during sampling, and hence numerous evaluations of the forward computational model. Moreover, L-HNNs satisfy important properties such as perfect time reversibility and Hamiltonian conservation, making them well-suited for use within HMC and NUTS because stationarity can be shown. We also propose the integration of L-HNNs in an online error monitoring scheme, in which numerical gradients of the target density are used for a few samples whenever the L-HNNs prediction errors are large. This online error monitor scheme prevents sample degeneracy in regions of low probability density and ensures robust uncertainty quantification. We demonstrate L-HNNs in NUTS with online error monitoring on several analytical examples involving complex, heavy-tailed, and high-local-curvature probability densities. We then demonstrate the applicability of L-HNNs in NUTS to two computational case studies, namely the Allen-Cahn stochastic partial differential equation and an elliptic partial differential equation with 25 and 50 inference parameters, respectively. Overall, the L-HNNs in NUTS with online error monitoring satisfactorily inferred these probability densities. In conclusion, compared to traditional NUTS, L-HNNs in NUTS with online error monitoring required 1–2 orders of magnitude fewer numerical gradients of the target density and improved the effective sample size (ESS) per gradient (which is a measure of both the sampling quality and the computational expense) by an order of magnitude.

97 MATHEMATICS AND COMPUTING↗

Finite-size effects in lead scandium tantalate relaxor thin films

Large electromechanical effects in relaxor ferroelectrics are generally attributed to the collective response of an ensemble of correlated, nanometer-sized polar structures induced by chemical and charge disorder. Here, we study finite-size effects on such polar order (i.e., how it evolves when sample dimensions approach the polarization correlation length) in 7–70-nm-thick films of the relaxor ferroelectric PbSc 0.5 Ta 0.5 O 3 . Temperature-dependent polarization studies reveal a linear suppression of the polarization and nonlinearity associated with relaxor order as the film thickness decreases to ≈ 30 nm. Below this thickness, however, the suppression rapidly accelerates, and polarization is completely absent by film thicknesses of ≈ 7 nm, despite the continued observation of a broad peak in dielectric permittivity and frequency dispersion. Diffuse-scattering measurements reveal the diffuse-scattering symmetry, and analysis suggests the films have a polarization correlation length of ≈ 23 nm. Finally, taken together, it is apparent that reduction of sample size and the resulting distribution of polar structures drive suppression and eventual quenching of the electrical response of relaxors, which may be attributed to increasing dipole-dipole and dipole-interface interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Learning curves for drug response prediction in cancer cell lines

Motivated by the size and availability of cell line drug sensitivity data, researchers have been developing machine learning (ML) models for predicting drug response to advance cancer treatment. As drug sensitivity studies continue generating drug response data, a common question is whether the generalization performance of existing prediction models can be further improved with more training data. We utilize empirical learning curves for evaluating and comparing the data scaling properties of two neural networks (NNs) and two gradient boosting decision tree (GBDT) models trained on four cell line drug screening datasets. The learning curves are accurately fitted to a power law model, providing a framework for assessing the data scaling behavior of these models. The curves demonstrate that no single model dominates in terms of prediction performance across all datasets and training sizes, thus suggesting that the actual shape of these curves depends on the unique pair of an ML model and a dataset. The multi-input NN (mNN), in which gene expressions of cancer cells and molecular drug descriptors are input into separate subnetworks, outperforms a single-input NN (sNN), where the cell and drug features are concatenated for the input layer. In contrast, a GBDT with hyperparameter tuning exhibits superior performance as compared with both NNs at the lower range of training set sizes for two of the tested datasets, whereas the mNN consistently performs better at the higher range of training sizes. Moreover, the trajectory of the curves suggests that increasing the sample size is expected to further improve prediction scores of both NNs. These observations demonstrate the benefit of using learning curves to evaluate prediction models, providing a broader perspective on the overall data scaling characteristics. A fitted power law learning curve provides a forward-looking metric for analyzing prediction performance and can serve as a co-design tool to guide experimental biologists and computational scientists in the design of future experiments in prospective research studies.

60 APPLIED LIFE SCIENCES↗

Validation of the Scientific Program for the Dark Energy Spectroscopic Instrument

The Dark Energy Spectroscopic Instrument (DESI) was designed to conduct a survey covering 14,000 deg$^{2}$ over 5 yr to constrain the cosmic expansion history through precise measurements of baryon acoustic oscillations (BAO). The scientific program for DESI was evaluated during a 5 month survey validation (SV) campaign before beginning full operations. This program produced deep spectra of tens of thousands of objects from each of the stellar Milky Way Survey (MWS), Bright Galaxy Survey (BGS), luminous red galaxy (LRG), emission line galaxy (ELG), and quasar target classes. These SV spectra were used to optimize redshift distributions, characterize exposure times, determine calibration procedures, and assess observational overheads for the 5 yr program. In this paper, we present the final target selection algorithms, redshift distributions, and projected cosmology constraints resulting from those studies. We also present a One-Percent Survey conducted at the conclusion of SV covering 140 deg$^{2}$ using the final target selection algorithms with exposures of a depth typical of the main survey. The SV indicates that DESI will be able to complete the full 14,000 deg$^{2}$ program with spectroscopically confirmed targets from the MWS, BGS, LRG, ELG, and quasar programs with total sample sizes of 7.2, 13.8, 7.46, 15.7, and 2.87 million, respectively. These samples will allow exploration of the Milky Way halo, clustering on all scales, and BAO measurements with a statistical precision of 0.28% over the redshift interval z < 1.1, 0.39% over the redshift interval 1.1 < z < 1.9, and 0.46% over the redshift interval 1.9 < z < 3.5.

79 ASTRONOMY AND ASTROPHYSICS↗

Infrared spectra of lunar soils

Lunar sample measurements were made both under ambient nitrogen pressure and under vacuum conditions. Average emittance values were analyzed for a number of samples which were determined to include silicate minerals, pyroxenes, and fine particle feldspar. Information is also provided on modifications made to emittance apparatus in order to work with smaller sample sizes and to prevent accidental loss or contamination of the lunar sample material.

Aronson, J. R.↗