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At least 91 records · Page 5

Discrimination of lithologic units of the basis of botanical associations and Landsat TM spectral data in the Ridge and Valley province, Pennsylvania

Data collected on November 2, 1982 by the Landsat 4 Thematic Mapper (TM) over 72 forested sites in the Ridge and Valley province in Pennsylvania were compared with corresponding botanical and site variable field data. The analysis revealed that both the TM and the botanical data sets can be divided into four groups based on lithology and aspect. Lithology, which is clearly the dominant controlling factor in both sets of data, determines elevation and slope. The aspect (essentially north- and south-facing slope) determines the intensity of solar illumination which affects both the moisture available to the vegetation and the intensity of reflected radiance. Each of the four lithologic/aspect units support unique forest associations, clearly separable both on the basis of ground-based 1/10-acre forest association surveys and on the basis of their TM spectral signatures.

Price, C. V.↗

Microcrack Quantification in Composite Materials by a Neural Network Analysis of Ultrasound Spectral Data

Intra-ply microcracking in unlined composite pressure vessels can be very troublesome to detect and when linked through the thickness can provide leak paths that may hinder mission success. The leaks may lead to loss of pressure/propellant, increased risk of explosion and possible cryo-pumping into air pockets within the laminate. Ultrasonic techniques have been shown capable of detecting the presence of microcracking and in this work they are used to quantify the level of microcracking. Resonance ultrasound methods are utilized with artificial neural networks to build a microcrack prediction/measurement tool. Two networks are presented, one unsupervised to provide a qualitative measure of microcracking and one supervised which provides a quantitative assessment of the level of microcracking. The resonant ultrasound spectroscopic method is made sensitive to microcracking by tuning the input spectrum to the higher frequency (shorter wavelength) components allowing more significant interaction with the defects. This interaction causes the spectral characteristics to shift toward lower amplitudes at the higher frequencies. As the density of the defects increases more interactions occur and more drastic amplitude changes are observed. Preliminary experiments to quantify the level of microcracking induced in graphite/epoxy composite samples through a combination of tensile loading and cryogenic temperatures are presented. Both unsupervised (Kohonen) and supervised (radial basis function) artificial neural networks are presented to determine the measurable effect on the resonance spectrum of the ultrasonic data taken from the samples.

Walker, James L.↗

ToF-SIMS spectral data analysis of Paenibacillus sp. 300A biofilms and planktonic cells

Analysis of bacterial biofilms is particularly challenging and important with diverse applications from systems biology to biotechnology. Among the variety of techniques that have been applied, time-of-flight secondary ion mass spectrometry (ToF-SIMS) has many promising features in studying the surface characteristics of biofilms. ToF-SIMS offers high spatial resolution and high mass accuracy, which permit surface sensitive analysis of biofilm components. Thus, ToF-SIMS provides a powerful solution to addressing the challenge of bacterial biofilm analysis. This dataset covers ToF-SIMS analysis of Paenibacillus sp. 300A (300A) isolated from the Hanford site in Richland, WA. The strain is known to have metal and sulfur reducing properties and can be used for bioremediation, wastewater treatment, bioengineering and technology development. There is a current need to identify small molecules and fragments produced from bacterial biofilms. Static ToF-SIMS spectra of 300A were obtained using an IONTOF TOF-SIMS V instrument equipped with a 25 keV Bi 3 + metal ion gun. Identified molecules and molecular fragments are compared against known biological databases and the reported peaks have at least 65 ppm mass accuracy. These molecules range from lipids and fatty acids to flavonoids, quinolones, and other naturally occurring organic compounds. It is anticipated that the spectral identification of key peaks will assist detection of metabolites, extracellular polymeric substance molecules like polysaccharides, and biologically relevant small molecules using ToF-SIMS in future surface and interface research of bacterial biofilms.

Biofilms↗

Derivation of at-birth neutron energy distribution of americium-beryllium source based on ISO8529 spectral data

In many practical applications, the accuracy of neutron transport calculations depends on an estimate of the energy distribution provided in the source definition. While the energy distribution of neutrons emitted by spontaneous fission sources is well-defined, the spectra of neutrons produced in (α,n) reactions in compound mixtures, such as americium-beryllium (AmBe), depend on the microstructural properties of the source material, which may vary. Although the energy of neutrons produced in nuclear reactions can be calculated from first principles, such computations require detailed knowledge of the key characteristics of the source material, which are often unknown. Here, this study focuses on deriving the at-birth neutron energy distribution for an AmBe source by applying reverse transport calculations to the externally measured high-precision spectrum recommended in the latest revision of the international standard. The derived at-birth spectrum was validated through indirect energy-sensitive neutron emission rate measurements of AmBe sources calibrated at national primary metrology institutions. The resulting at-birth neutron energy distribution serves as essential input data for radiation transport modeling, providing a validated spectrum for broader experimental and computational applications.

AmBe↗

Repository scale classification and decomposition of tandem mass spectral data

Various studies have shown associations between molecular features and phenotypes of biological samples. These studies, however, focus on a single phenotype per study and are not applicable to repository scale metabolomics data. Here we report MetSummarizer, a method for predicting (i) the biological phenotypes of environmental and host-oriented samples, and (ii) the raw ingredient composition of complex mixtures. We show that the aggregation of various metabolomic datasets can improve the accuracy of predictions. Since these datasets have been collected using different standards at various laboratories, in order to get unbiased results it is crucial to detect and discard standard-specific features during the classification step. We further report high accuracy in prediction of the raw ingredient composition of complex foods from the Global Foodomics Project.

59 BASIC BIOLOGICAL SCIENCES↗

Acquisition of absorption and fluorescence spectral data using chatbots

Spectra – the lifeblood of photochemistry – have been very difficult to find in the literature. Chatbots, remarkably, may enable their more efficient acquisition and prove to be generally powerful tools for searching the scientific literature.

Taniguchi, Masahiko [Department of Chemistry, Nort↗

Application of dilaton chiral perturbation theory to N f = 8 , SU(3) spectral data

We extend dilaton chiral perturbation theory (dChPT) to include the taste splittings in the Nambu-Goldstone sector observed in lattice simulations of near-conformal theories with staggered fermions. We then apply dChPT to a recent simulation by the LSD collaboration of the SU(3) gauge theory with 8 fermions in the fundamental representation, which is believed to exhibit near-conformal behavior in the infrared, and in which a light singlet scalar state, nearly degenerate with the pions, has been found. We find that the mesonic sector of this theory can be successfully described by dChPT, including, in particular, the mesonic taste splittings found in the simulation. We confirm that current simulations of this theory are in the "large-mass" regime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Application of machine learning to estimate fireball characteristics and their uncertainty from infrared spectral data

Experiments or events involving high explosives (HE) can be monitored remotely by infrared (IR) sensors to gather information about the configuration or materials involved in the device. Researchers at the Air Force Institute of Technology (AFIT) developed a phenomenological model for HE fireball spectra in the IR range that allows for parameters to be extracted from Fourier transform infrared (FTIR) data. This model includes parameters tied to physical characteristics of the fireball: temperature, size, soot, and gas concentrations. Previous works have sought to recover these parameters by the fitting of either whole spectra or select wavenumber bands to this phenomenological model. Difficulties arise due to the complex relationships between the parameters to be fit. Uncertainty quantification of the estimated fireball parameters is also problematic since HE experiments do not have any ground truth information on the parameters. It is suggested that artificial neural network (ANN) based approaches may be well suited to this problem, because of their ability to capture complex and highly nonlinear relationships. As such, this work seeks to explore the efficacy of deep artificial neural networks (DNNs) for this problem of parameter recovery from spectra and to also investigate the uncertainty of recovering the fireball parameters from FTIR data. Networks are designed using the hyperparameter optimization tool Hyperopt and trained/tested on artificial data generated using the phenomenological model developed by AFIT. The results of applying the network to the artificial data set are compared to a physics-based band approach that uses a selected number of bands based on their physical properties. Information on the uncertainty of estimating parameters from remotely sensed experimental data is obtained by treating the accuracy of the DNN model on artificial data as an upper bound and by examining the impact of emissivity due to soot on parameter estimation error; the results for artificial data are likely to be optimistic as compared to recovering parameters from experimental data.

42 ENGINEERING↗

Multivariate Statistical Analysis of Orthogonal Mass Spectral Data for the Identification of Chemical Attribution Signatures of 3-Methylfentanyl

Critical to many modern forensic investigations is the chemical attribution of the origin of an illegal drug. This process greatly relies on identification of compounds indicative of its clandestine or commercial production. The results of these studies can yield detailed information on method of manufacture, sophistication of the synthesis operation, starting material source, and final product. In the present work, chemical attribution signatures (CAS) associated with the synthesis of the analgesic 3- methylfentanyl, N-(3-methyl-1-phenethylpiperidin-4-yl)-N-phenylpropanamide, were investigated. Six synthesis methods were studied in an effort to identify and classify route-specific signatures. These methods were chosen to minimize the use of scheduled precursors, complicated laboratory equipment, number of overall steps, and demanding reaction conditions. Using gas and liquid chromatographies combined with mass spectrometric methods (GC-QTOF and LC-QTOF) in conjunction with inductivelycoupled plasma mass spectrometry (ICP-MS), over 240 distinct compounds and elements were monitored. As seen in our previous work with CAS of fentanyl synthesis the complexity of the resultant data matrix necessitated the use of multivariate statistical analysis. Using partial least squares discriminant analysis (PLS-DA), 62 statistically significant, route-specific CAS were identified. Statistical classification models using a variety of machine learning techniques were then developed with the ability to predict the method of 3-methylfentanyl synthesis from three blind crude samples generated by synthetic chemists without prior experience with these methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ka-Band Scanning ARM Cloud Radar (KASACR), 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Cross Mode (a1-level)

The Ka-Band Scanning ARM Cloud Radar (KASACR) records cloud properties. ARM's scanning cloud radars are dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (1.7 kW peak power) or an X-band (20 kW peak power). Beamwidths for Ka-bands paired with W-bands are roughly matched at 0.3 degrees. The X-band beamwidth is approximately 1 degree. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the KASACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the KASACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ratio. KASACR data from the 2018–2019 Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign in Argentina are now available as b1-level products. Building on the original CACTI operational data, the b1-level products feature improved data quality resulting from extensive analyses and corrections. The data are cross-calibrated to a common point, datastreams are corrected for operational issues that occurred during the campaign, and several data quality masks and basic derived products are incorporated. For more information, read the CACTI radar b1-level processing report.

54 ENVIRONMENTAL SCIENCES↗

W-Band ARM Scanning Cloud Radar (WSACR) 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Co-Polarization Mode (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). Beamwidths at Ka and W bands are roughly matched at 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies that are unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the Ka-SACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the W-SACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ration.

54 ENVIRONMENTAL SCIENCES↗

Ka-Band Scanning ARM Cloud Radar (KASACR), 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Cross-Polarization Mode (a1-level)

The Ka-Band Scanning ARM Cloud Radar (KASACR) records cloud properties. ARM's scanning cloud radars are dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (1.7 kW peak power) or an X-band (20 kW peak power). Beamwidths for Ka-bands paired with W-bands are roughly matched at 0.3 degrees. The X-band beamwidth is approximately 1 degree. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the KASACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the KASACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ratio. KASACR data from the 2018–2019 Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign in Argentina are now available as b1-level products. Building on the original CACTI operational data, the b1-level products feature improved data quality resulting from extensive analyses and corrections. The data are cross-calibrated to a common point, datastreams are corrected for operational issues that occurred during the campaign, and several data quality masks and basic derived products are incorporated. For more information, read the CACTI radar b1-level processing report.

54 ENVIRONMENTAL SCIENCES↗

W-Band ARM Scanning Cloud Radar (WSACR) 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Cross Mode (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). Beamwidths at Ka and W bands are roughly matched at 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies that are unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the Ka-SACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the W-SACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ration.

54 ENVIRONMENTAL SCIENCES↗

W-Band ARM Scanning Cloud Radar (WSACR) 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Cross-Polarization Model (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). Beamwidths at Ka and W bands are roughly matched at 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies that are unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the Ka-SACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the W-SACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ration.

54 ENVIRONMENTAL SCIENCES↗