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At least 343 records · Page 19

Fourier transform C-13 NMR analysis of some free and potassium-ion complexed antibiotics.

Fourier transforms of the noise-decoupled, natural abundance C-13 NMR free induction decays of the cyclic antibiotic valinomycin and its potassium-ion complex have been obtained at 25.2 MHz. Comparisons are made with C-13 NMR spectra taken at 22.6 MHz of the cyclic antibiotic nonactin and the synthetic polyether dicyclohexyl-18-crown-6 and their potassium complexes. The results obtained suggest that conformational rearrangements of the molecule as a whole can compete with direct interactions between carbons and the potassium ion in determining C-13 chemical shift differences between the free and complexed species.

Ohnishi, M.↗

A stochastic model of the electromyogram

The quantitative regularities of interference pattern formation by motor unit action potentials is investigated. The parameters of a single motor unit and how they relate to the Fourier transform analysis of an EMG are considered. The Fourier transform of the simulated electromyogram is compared with the Fourier transform of the actual EMG recorded from various human muscles using surface electrodes.

Agarwal, G. C.↗

Recursive Use of the Short-Time Fast Fourier Transform for Signature Analysis in Continuous Processes

Although a nuclear reactor is a hostile environment for sensing and electrical communications, the reactor core is amenable to acoustic communication. An acoustic measurement infrastructure (AMI) has been installed in the Advanced Test Reactor (ATR) to record acoustic signals that can capture its different operating regimes. AMI uses coolant pumps as continuous signal sources, coolant and structural components as transmission lines, and accelerometers to capture system motion. A recursive signal processing technique based on the short-time fast Fourier transform (STFFT) for continuous processes provides unique signatures for diagnostic and prognostic analyses from the system motion data. Here this article presents a recursive STFFT methodology that processes acoustic signals from continuous industrial processes. The article first discusses the initial STFFT use with simulated data to elucidate the basic principles necessary to understand and interpret the STFFT results from actual pump vibration data. Each repetitive use of the STFFT on pump vibration data using the results from the prior STFFT processing will generate additional complimentary time-frequency-based signatures. These signatures are generated by the coolant pumps operating under different process conditions. After each use of the STFFT, the resulting signatures provide exemplary examples of the diversity and intuitive nature of recursively using the STFFT. This article focuses on recursively using the STFFT to provide numerous complimentary and diverse signatures that will ultimately be inputs for machine learning algorithms that provide predictive data analytics. The intuitive nature of the information and signatures from recursive STFFT processing will also bring intuitive interpretation capabilities to machine learning and predictive data analytic techniques.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Identification of aerodynamic models for maneuvering aircraft

The method based on Fourier functional analysis and indicial formulation for aerodynamic modeling as proposed by Chin and Lan is extensively examined and improved for the purpose of general applications to realistic airplane configurations. Improvement is made to automate the calculation of model coefficients, and to evaluate more accurately the indicial integral. Test data of large angle-of-attack ranges for two different models, a 70 deg. delta wing and an F-18 model, are used to further verify the applicability of Fourier functional analysis and validate the indicial formulation. The results show that the general expression for harmonic motions throughout a range of k is capable of accurately modeling the nonlinear responses with large phase lag except in the region where an inconsistent hysteresis behavior from one frequency to the other occurs. The results by the indicial formulation indicate that more accurate results can be obtained when the motion starts from a low angle of attack where hysteresis effect is not important.

Lan, C. Edward↗

FREDA: A Web Application for the Processing, Analysis, and Visualization of Fourier‐Transform Mass Spectrometry Data

The high-resolution measurement capability of Fourier-transform mass spectrometry (FT-MS) has made it a necessity for exploring the molecular composition of complex organic mixtures, like soil, plant, aquatic, and petroleum samples. This demand has driven a need for informatics tools to explore and analyze FT-MS data in a robust and reproducible manner. FREDA is an interactive web application developed to enable spectrometrists to format, process, and explore their FT-MS data without the need for statistical programming expertise. FREDA was built to explore outputs from a molecular identification tool, like CoreMS, and provide a suite of methods to filter data, compute chemical properties of peaks, statistically compare samples and groups of samples, conduct exploratory data analysis, and download the results with a report detailing all steps conducted. To demonstrate the utility of FREDA, an example analysis was conducted using FT-MS data from a soil microbiology study of samples collected in two different soil depths at the Sphagnum bog forest north of Grand Rapids, Minnesota. Differences between the two depths are observed using Kendrick, Gibbs free energy, and van Krevelen plots. G-tests are used to quantify a significant difference between the groups. All analyses and plotting are conducted using only the FREDA application. FREDA is an open-source and readily available web application that allows users to explore and make statistically valid conclusions about their FT-MS data. The application is available online (https://map.emsl.pnnl.gov/app/freda) with a tutorial web series (https://youtu.be/k5HLE2kNSBY?si=yB6sGoyvzxrFf5MP) and freely accessible code on Github (https://github.com/EMSL-Computing/FREDA).

47 OTHER INSTRUMENTATION↗

Microgravity alters respiratory sinus arrhythmia and short-term heart rate variability in humans

We studied heart rate (HR), heart rate variability (HRV), and respiratory sinus arrhythmia (RSA) in four male subjects before, during, and after 16 days of spaceflight. The electrocardiogram and respiration were recorded during two periods of 4 min controlled breathing at 7.5 and 15 breaths/min in standing and supine postures on the ground and in microgravity. Low (LF)- and high (HF)-frequency components of the short-term HRV (< or =3 min) were computed through Fourier spectral analysis of the R-R intervals. Early in microgravity, HR was decreased compared with both standing and supine positions and had returned to the supine value by the end of the flight. In microgravity, overall variability, the LF-to-HF ratio, and RSA amplitude and phase were similar to preflight supine values. Immediately postflight, HR increased by approximately 15% and remained elevated 15 days after landing. LF/HF was increased, suggesting an increased sympathetic control of HR standing. The overall variability and RSA amplitude in supine decreased postflight, suggesting that vagal tone decreased, which coupled with the decrease in RSA phase shift suggests that this was the result of an adaptation of autonomic control of HR to microgravity. In addition, these alterations persisted for at least 15 days after return to normal gravity (1G).

Clinical Trial↗

Thermal Properties of Lunar Regolith Simulants

Various high temperature chemical processes have been developed to extract oxygen and metals from lunar regolith. These processes are tested using terrestrial analogues of the regolith. But all practical terrestrial analogs contain H2O and/or OH-, the presence of which has substantial impact on important system behaviors. We have undertaken studies of lunar regolith simulants to determine the limits of the simulants to validate key components for human survivability during sustained presence on the Moon. Differential Thermal Analysis (DTA) yields information on phase transitions and melting temperatures. Thermo-Gravimetric Analysis (TGA) with Fourier Transform Infrared (FTIR) analysis provides information on evolved gas species and their evolution temperature profiles. The DTA and TGA studies included JSC-1A fine (Johnson Space Center Mare Type 1A simulant), NU-LHT-2M (National Aeronautics and Space Administration (NASA)-- United States Geological Survey (USGS)--Lunar Highlands Type 2M simulant) and its proposed feedstocks: anorthosite; dunite; high quality (HQ) glass and the norite from which HQ glass is produced. As an example, the DTA and TGA profiles for anorthosite follow. The DTA indicates exothermic transitions at 355 and 490 C and endothermic transitions at 970 and 1235 C. Below the 355 C transition, water is lost accounting for approximately 0.1 percent mass loss. Just above 490 C a second type of water is lost, presumably bound in lattices of secondary minerals along with other volatile oxides. Limited TGA-FTIR data is available at the time of this writing. For JSC-1A fine, the TGA-FTIR indicates at least two kinds of water are evolved in the 100 to 500 and the 700 to 900 C ranges. Evolution of carbon dioxide types occurs in the 250 to 545, 545 to 705, and 705 to 985 C ranges. Geologically, the results are consistent with the evolution of "water" in its several forms, CO2 from break down of secondary carbonates and magmatic, dissolved gas and glass recrystallization

Street, Kenneth W., Jr.↗

Further SEASAT SAR coastal ocean wave analysis

Analysis techniques used to exploit SEASAT synthetic aperture radar (SAR) data of gravity waves are discussed and the SEASAT SAR's ability to monitor large scale variations in gravity wave fields in both deep and shallow water is evaluated. The SAR analysis techniques investigated included motion compensation adjustments and the semicausal model for spectral analysis of SAR wave data. It was determined that spectra generated from fast Fourier transform analysis (FFT) of SAR wave data were not significantly altered when either range telerotation adjustments or azimuth focus shifts were used during processing of the SAR signal histories, indicating that SEASAT imagery of gravity waves is not significantly improved or degraded by motion compensation adjustments. Evaluation of the semicausal (SC) model using SEASAT SAR data from Rev. 974 indicates that the SC spectral estimates were not significantly better than the FFT results.

Kasischke, E. S.↗

Space station integrated wall design and penetration damage control. Task 4: Impact detection/location system

A program to develop a methodology is documented for detecting and locating meteoroid and debris impacts and penetrations of a wall configuration currently specified for use on space station. Testing consisted of penetrating and non-penetrating hypervelocity impacts on single and dual plate test configurations, including a prototype 1.22 m x 2.44 m x 3.56 mm (4 ft x 8 ft x 0.140 in) aluminum waffle grid backwall with multilayer insulation and a 0.063-in shield. Acoustic data were gathered with transducers and associated data acquisition systems and stored for later analysis with a multichannel digitizer. Preliminary analysis of test data included sensor evaluation, impact repeatability, first waveform arrival, and Fourier spectral analysis.

Nelson, J. M.↗

Effective Polarizability in Near-Field Microscopy of Phonon-Polariton Resonances

We investigate the resonant characteristics of planar surfaces and distinct edges of structures with the excitation of phonon-polaritons. We analyze two materials supporting phonon-polariton excitations in the mid-infrared spectrum: silicon carbide, characterized by an almost isotropic dielectric constant, and hexagonal boron nitride, notable for its pronounced anisotropy in a spectral region exhibiting hyperbolic dispersion. We formulate a theoretical framework that accurately captures the excitations of the structure involving phonon-polaritons, predicts the response in scattering-type near-field optical microscopy, and is effective for complex resonant geometries where the locations of hot spots are uncertain. We account for the tapping motion of the probe, perform analysis for different heights of the probe, and demodulate the signal using a fast Fourier transform. Using this Fourier demodulation analysis, we show that light enhancement across the entire apex is the most accurate characteristic for describing the response of all resonant excitations and hot spots. We demonstrate that computing the demodulation orders of light enhancement in the microscope probe accurately predicts its imaging.

Chemistry↗

Microshutter Arrays for the NGST NIRSpec

We are developing a programmable multiobject field selector for the NGST NIRSpec. This device is a microshutter array, a close-packed 2000 x 2000 array of 100 micrometer x 100 micrometer shutters fabricated with Micro-ElectroMechanical Systems (MEMS) technologies. The shutters are opened using a magnet scanned over the array. The shutters are held open by electrostatic potentials on adjacent vertical electrodes. Modeling of the magnetic actuation of the microshutters allowed optimization of the magnetic field configuration, the distance between magnet and shutters, and the force and torque produced by the magnet. The results of laboratory tests are consistent with our modeling. We have demonstrated actuation, latching and addressing. We are able to rotate shutters out of the plane up to 90 degree and more, to latch them electrostatically to the walls and release them selectively. During the last six month all critical elements of the array have been demonstrated. Fabrication processes were developed to deposit vertical electrodes on support grid side walls and insulated light-shields that block the gaps between shutters and the support grid. Physical optics analysis was performed to assess the expected optical performance of the microshutters. A preliminary Fourier optics analysis on the microshutter array performance has been carried out. More detailed analysis of wave propagation through 3D structures is a next step. An optical test station for verifying optical parameters of the shutter array at room temperature has been developed. It allows to measure parameters, such as transmission, scattering, contrast ratio, and diffraction of the array structure. Initial data have been acquired and are being analyzed and compared to theoretical predictions.

Moseley, Harvey↗

Robust Automatic EXAFS First-Shell Fits

Extended X-ray absorption fine structure (EXAFS) is a widely used technique for atomic structure determination. Fourier transformation connects EXAFS in k space and R space. However, determining the appropriate k-range for the transformation can be challenging, but critical for the first-shell fit. In this study, we present an automatic method to determine the k-range using the Larch package and a Python program. The first step is to estimate spectral noise across a series of k-ranges with a fixed minimum value and identify the optimal maximum value in the k-range (k max ). The k max is determined by an empirical noise threshold that marks the point where the noise level in the Fourier transformed spectrum changes dramatically. Using the obtained k max value, the first shell is modeled to determine the minimum k value (k min ) by optimizing the background function through alignment of the spectrum with theory. The optimal k min corresponds to the point of the minimum R-factor, which quantifies the difference between the experimental and fitted spectrum. Our method was tested on various typical datasets and yielded suitable k-ranges for Fourier transformation and accurate first-shell fits. This approach helps avoid unreliable, irreproducible data analysis, especially for noisy data from diluted samples, and enables robust automatic first-shell EXAFS fitting.

EXAFS analysis↗

Resolving ECRH deposition broadening due to edge turbulence in DIII-D

Microwave heat pulse propagation experiments have demonstrated a correlation between millimeter-scale turbulence and deposition profile broadening of electron cyclotron (EC) waves on the DIII-D tokamak. In a set of discharges in DIII-D, a variation in edge density fluctuations on the mm-scale is associated with 40%–150% broader deposition profiles, expressed in terms of normalized minor radius, as compared with equilibrium ray tracing. The 1D power profile is determined from transport analysis of the electron temperature response to EC power modulation using perturbative analysis with a square wave power modulation at 20–70 Hz, producing a series of Fourier harmonics that are fit collectively to resolve transport. Fitting an integrated heat flux expressed in the Fourier basis of the modulation to diffusive, convective, and coupled transport terms in a linear model can resolve the broadened EC deposition width from the power perturbation to resolve a broadening in each case. The best fit degree of beam broadening observed scales approximately linearly with the Doppler backscattering measured fluctuation level in the steep gradient region. Quantifying the effect of edge fluctuation broadening on EC current drive power needs of future devices will require 3D full-wave codes that can be validated on the current generation of machines. These DIII-D experiments provide a quantitative measure of fluctuation effects and a dataset to benchmark full-wave simulations that can model and eventually predict nonlinear effects neglected by 1D equilibrium beam and ray tracing.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Rocketdyne automated dynamics data analysis and management system

An automated dynamics data analysis and management systems implemented on a DEC VAX minicomputer cluster is described. Multichannel acquisition, Fast Fourier Transformation analysis, and an online database have significantly improved the analysis of wideband transducer responses from Space Shuttle Main Engine testing. Leakage error correction to recover sinusoid amplitudes and correct for frequency slewing is described. The phase errors caused by FM recorder/playback head misalignment are automatically measured and used to correct the data. Data compression methods are described and compared. The system hardware is described. Applications using the data base are introduced, including software for power spectral density, instantaneous time history, amplitude histogram, fatigue analysis, and rotordynamics expert system analysis.

Tarn, Robert B.↗

FTIR analysis of unaged encapsulants

Fourier transform infrared spectroscopy (FITR) analysis (in ATR mode) of unaged encapsulants (EVA, POE, EPE) from a commercial source.

characterization↗

Spectral analysis and diagnosis of nonlinear interactions of large-scale moving waves at 200 mb in the GLAS General Circulation Model

The space-time Fourier spectral analysis and the equations of kinetic energy and momentum transport in the wavenumber-frequency domain proposed by Kao (1968) and modified by Kao and Lee (1977) using Tukey's (1967) numerical spectral analysis are employed to analyze the 200 mb wind fields of a four-month climate experiment of the GLAS atmospheric circulation model. This climate run covers the period from Jan. 1 to Apr. 30, 1975. The current study analyzes a 90-day (Jan. 15-Apr. 14, 1975) wind field of this climate run. A comparison is conducted between the current study and observations reported by Kao and Lee. It is found that the 200 mb latitudinal distributions of model mean zonal wind, zonal and meridional kinetic energy and momentum transport of eddies agree fairly well with the observations.

Chen, T.-C.↗

Turbulence excited frequency domain damping measurement and truncation effects

Existing frequency domain modal frequency and damping analysis methods are discussed. The effects of truncation in the Laplace and Fourier transform data analysis methods are described. Methods for eliminating truncation errors from measured damping are presented. Implications of truncation effects in fast Fourier transform analysis are discussed. Limited comparison with test data is presented.

Soovere, J.↗

An astrophysics data program investigation of spatial structure of supernova remnants

The final report on astrophysics data program investigation of spatial structure of supernova remnants for the period 1 Aug. 1989 to 31 Jul. 1991 is presented. The goal of the project was the study of the spatial structure of supernova remnants (SNR's) as observed in the x-ray band. A number of software tools were developed for the analysis: (1) a program to fit various geometric models to high resolution x-ray data, and (2) programs for Fourier Transform analysis of clumping in SNR's. These programs were applied to high resolution imager (HRI) data on the young galactic SNR's Tycho and Kepler with some success.

Hughes, John P.↗