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At least 1,333 records · Page 74

Single-Cell Metabolic Profiling: Metabolite Formulas from Isotopic Fine Structures in Heterogeneous Plant Cell Populations

Characterization of the metabolic heterogeneity in cell populations requires the analysis of single cells. Most current methods in single-cell analysis rely on cell manipulation, potentially altering the abundance of metabolites in individual cells. Small sample volume and the chemical diversity of metabolites are additional challenges in single-cell metabolomics. Here, we describe the combination of fiber-based laser ablation electrospray ionization (f-LAESI) with 21 tesla Fourier transform ion cyclotron resonance mass spectrometry (21TFTICR-MS) for in situ single-cell metabolic profiling in plant tissue. Single plant cells infected by bacteria were selected and sampled directly from the tissue without cell manipulation through mid-infrared ablation with a fine optical fiber tip for ionization by f-LAESI. Finally, ultrahigh performance 21T-FTICR-MS enabled the simultaneous capture of isotopic fine structures (IFSs) for 47 known and 11 unknown compounds, thus elucidating their elemental compositions from single cells, and providing information on metabolic heterogeneity in the cell population.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Autonomous adaptive data acquisition for scanning hyperspectral imaging

Non-invasive and label-free spectral microscopy (spectromicroscopy) techniques can provide quantitative biochemical information complementary to genomic sequencing, transcriptomic profiling, and proteomic analyses. However, spectromicroscopy techniques generate high-dimensional data; acquisition of a single spectral image can range from tens of minutes to hours, depending on the desired spatial resolution and the image size. This substantially limits the timescales of observable transient biological processes. To address this challenge and move spectromicroscopy towards efficient real-time spatiochemical imaging, we developed a grid-less autonomous adaptive sampling method. Our method substantially decreases image acquisition time while increasing sampling density in regions of steeper physico-chemical gradients. When implemented with scanning Fourier Transform infrared spectromicroscopy experiments, this grid-less adaptive sampling approach outperformed standard uniform grid sampling in a two-component chemical model system and in a complex biological sample, Caenorhabditis elegans. We quantitatively and qualitatively assess the efficiency of data acquisition using performance metrics and multivariate infrared spectral analysis, respectively.

47 OTHER INSTRUMENTATION↗

Description of data on the Nimbus 7 LIMS map archive tape: Ozone and nitric acid

The Nimbus 7 Limb Infrared Monitor of the Stratosphere (LIMS) data set has been processed into a Fourier coefficient representation with a Kalman filter algorithm applied to profile data at individual latitudes and pressure levels. The algorithm produces synoptic data at noon Greenwich Mean Time (GMT) from the asynoptic orbital profiles. This form of the data set is easy to use and is appropriate for time series analysis and further data manipulation and display. Ozone and nitric acid results are grouped together in this report because the LIMS vertical field of views (FOV's) and analysis characteristics for these species are similar. A comparison of the orbital input data with mixing ratios derived from Kalman filter coefficients indicates errors in mixing ratio of generally less than 5 percent, with 15 percent being a maximum error. The high quality of the mapped data was indicated by coherence of both the phases and the amplitudes of waves with latitude and pressure. Examples of the mapped fields are presented, and details are given concerning the importance of diurnal variations, the removal of polar stratospheric cloud signatures, and the interpretation of bias effects in the data near the tops of profiles.

Remsberg, E. E.↗

On-board ephemeris representation for Topex/Poseidon

The Topex/Poseidon satellite requires real-time on-board knowledge of the satellite and TDRS ephemeris for attitude determination and control and High-Gain Antenna (HGA) pointing. The ephemeris representation concept for the MMS (Multimission Modular Spacecraft) satellites has shown that compressing the predicted ephemeris in a Fourier Power Series (FPS) before uplinking in conjunction with the On-Board Computer (OBC) ephemeris reconstruction algorithms is an efficient technique for ephemeris representation. As an MMS-based satellite, Topex/Poseidon has inherited the Landsat ephemeris representation concept including a daily FPS upload. This paper presents the Topex/Poseidon concept, analysis, and results including the conclusion that the ephemeris representation duration could be extended to 10 days or more and convenient weekly uploading is adopted without an increase in OBC memory requirements.

Salama, Ahmed H.↗

Nonlinear rotordynamics analysis

Effective analysis tools were developed for predicting the nonlinear rotordynamic behavior of the Space Shuttle Main Engine (SSME) turbopumps under steady and transient operating conditions. Using these methods, preliminary parametric studies were conducted on both generic and actual HPOTP (high pressure oxygen turbopump) models. In particular, a novel modified harmonic balance/alternating Fourier transform (HB/AFT) method was developed and used to conduct a preliminary study of the effects of fluid, bearing and seal forces on the unbalanced response of a multi-disk rotor in the presence of bearing clearances. The method makes it possible to determine periodic, sub-, super-synchronous and chaotic responses of a rotor system. The method also yields information about the stability of the obtained response, thus allowing bifurcation analyses. This provides a more effective capability for predicting the response under transient conditions by searching in proximity of resonance peaks. Preliminary results were also obtained for the nonlinear transient response of an actual HPOTP model using an efficient, newly developed numerical method based on convolution integration. Currently, the HB/AFT is being extended for determining the aperiodic response of nonlinear systems. Initial results show the method to be promising.

Noah, Sherif T.↗

Distributed Computing Architecture for Image-Based Wavefront Sensing and 2 D FFTs

Image-based wavefront sensing (WFS) provides significant advantages over interferometric-based wavefi-ont sensors such as optical design simplicity and stability. However, the image-based approach is computational intensive, and therefore, specialized high-performance computing architectures are required in applications utilizing the image-based approach. The development and testing of these high-performance computing architectures are essential to such missions as James Webb Space Telescope (JWST), Terrestial Planet Finder-Coronagraph (TPF-C and CorSpec), and Spherical Primary Optical Telescope (SPOT). The development of these specialized computing architectures require numerous two-dimensional Fourier Transforms, which necessitate an all-to-all communication when applied on a distributed computational architecture. Several solutions for distributed computing are presented with an emphasis on a 64 Node cluster of DSPs, multiple DSP FPGAs, and an application of low-diameter graph theory. Timing results and performance analysis will be presented. The solutions offered could be applied to other all-to-all communication and scientifically computationally complex problems.

Smith, Jeffrey S.↗

Application of end-of-shift respirable crystalline silica monitoring to construction

A pilot project was conducted to determine the effect of common construction dusts as interferences in a new portable end-of-shift (EoS), direct-on-filter (DoF) sampling and analysis method for respirable crystalline silica (RCS), in this case, quartz. Construction dusts were prepared from plaster, drywall, cement and brick by grinding, aerosolizing, and collecting respirable dust with high flow rate cyclones. Filters were loaded with different levels of commercial α-quartz powder Min-u-Sil 5, and different levels of interfering dusts, singly and in combination. Samples were analyzed by Fourier Transform Infrared Spectroscopy (FTIR). Good correlations were found between nominal quartz loading (0 µg, 25 µg, 50 µg, and 100 µg) adjusted for quartz in the interfering dust and FTIR absorbance alone and in the presence of all interfering dusts. The slopes of the correlations were similar whether the loading was quartz without interference, or with plaster, drywall, and cement dusts, regardless of quantity. The results show that (a) plaster and drywall dusts do not interfere substantially; (b) cement does not interfere, but a change in the intercept suggests an effect on the background absorbance of the filter; and (c) in addition to having a substantial quartz content, brick dust contains an additional material, probably a silicate mineral, which interferes with the quartz peak. Thus, the presence of cement leads to lower quartz values and brick leads to higher values, but overall, 83% of the quartz contents predicted from the calibration data agreed within 50% of the adjusted nominal loadings within the range 20–110 µg. This result is encouraging given the high levels of interfering dusts. Nine samples loaded with smaller amounts of all four dusts together gave results within 25% of the adjusted nominal loadings. A single mixture addition of the dusts to the filter gave tighter variance in results than sequential additions. Unexpectedly, the two Certified Reference Materials (CRMs) 1878a and 1878b, gave different results when used to calibrate XRD analysis of Min-u-Sil 5.

42 ENGINEERING↗

Counter-rotating propellant analysis using a frequency domain panel method

The unsteady aerodynamic coupling between the front and rear rotors in a counter-rotating propeller system is analyzed using a frequency-domain panel method based on linear compressible aerodynamic theory. The periodic loads are decomposed into harmonics, and the harmonic amplitudes are found iteratively. Each stage of the interation involves the solution of an isolated propeller problem, the interaction being done through the Fourier transform of the induced velocity field. The method was validated by comparing mean performance parameters with measured data and by comparing the predicted velocity field with detailed laser Doppler velocimeter measurements. Comparisons have also been made between the fluctuating loads predicted by the present method and a time-domain panel method.

Williams, Marc H.↗

An improved error analysis of finite element solutions for postbuckled plates

The accurate calculation of stresses at boundaries and interfaces where FEM analysis may be unreliable is presently undertaken by an error analysis that derives a continuous approximation to discrete finite-element data, which can be differentiated to compute continuous stresses for component-failure predictions. An evaluation is conducted of this approximation in the context of the nonlinear PDEs. A novel interpolation formula which is a simple modification of the double Fourier sine series is used to reduce truncation errors near the rectangular plate boundary by means of an 'extended grid'. Results are presented from a FEM solution, a conventional double-Fourier series' continuous approximation, and a solution applying interpolation on the extended grid, which yields superior convergence properties near the plate boundaries.

Sistla, Rajaram↗

Reflectance spectroscopy of fresh whole leaves for the estimation of chemical concentration

Remotely sensed plant-canopy data in the visible and near-IR ranges are used to establish relations between the canopy reflectance and the chemical content of the leaves. The mathematical relation is generated by means of stepwise regression based on the derivative reflectance at certain wavelengths. Fourier filtering and sample control are used to minimize instrument noise and spectral overlap respectively, and absorption features are noted that correspond to sugar and protein. The coefficients of determination between estimated and measured concentrations are at least 0.82 for such substances as starch and chlorophyll. It is recommended in the analysis of remotly sensed canopy data that the chemicals with strong spectral overlaps with the chemical of interest be accounted for in order to estimate foliar chemical concentrations accurately.

Curran, Paul J.↗

Decomposition of multi-particle azimuthal correlations in Q-cumulant analysis*

Abstract The method of Q -cumulants is a powerful tool for studying the fine details of azimuthal anisotropies in high energy nuclear collisions. This paper presents a new method, based on mathematical induction, to evaluate the analytical form of high-order Q -cumulants. The capability of this method is demonstrated via a toy model that uses the elliptic power distribution to simulate the anisotropic emission of particles, quantified in terms of Fourier flow harmonics . The method can help in studying the large amount of event statistics that can be collected in the future and allow measurements of the very high central moments of the distribution. This can, in turn, facilitate progress in understanding the initial geometry, the input to the hydrodynamic calculations of medium expansion in high energy nuclear collisions, and the constraints on it.

Physics↗

Sensitivity Analysis and Optimization of Aerodynamic Configurations with Blend Surfaces

A novel (geometrical) parametrization procedure using solutions to a suitably chosen fourth order partial differential equation is used to define a class of airplane configurations. Inclusive in this definition are surface grids, volume grids, and grid sensitivity. The general airplane configuration has wing, fuselage, vertical tail and horizontal tail. The design variables are incorporated into the boundary conditions, and the solution is expressed as a Fourier series. The fuselage has circular cross section, and the radius is an algebraic function of four design parameters and an independent computational variable. Volume grids are obtained through an application of the Control Point Form method. A graphic interface software is developed which dynamically changes the surface of the airplane configuration with the change in input design variable. The software is made user friendly and is targeted towards the initial conceptual development of any aerodynamic configurations. Grid sensitivity with respect to surface design parameters and aerodynamic sensitivity coefficients based on potential flow is obtained using an Automatic Differentiation precompiler software tool ADIFOR. Aerodynamic shape optimization of the complete aircraft with twenty four design variables is performed. Unstructured and structured volume grids and Euler solutions are obtained with standard software to demonstrate the feasibility of the new surface definition.

Thomas, A. M.↗

Coolant Pump Predictive Data Analytics from Signatures Generated by the Recursive Short Time Fast Fourier Transform

Although a nuclear reactor is a hostile environment for sensors and signal transmissions, the reactor core is amenable to acoustic communication. An acoustic measurement infrastructure installed at the Advanced Test Reactor (ATR) nozzle trench area records acoustic signals that can capture reactor operating states. The distinct states produce unique signatures that can be identified and tracked using data processing and data analytics. The infrastructure relies on acoustic transmission through ATR in-pile structural components, piping, and coolant that transmit acoustically modified signals generated by the coolant pumps. This paper will discuss results from using the Recursive Short Time Fast Fourier Transform (RSTFFT) technique used to process acoustic signals and provide signatures that are identified and monitored by analytics. The RSTFFT is applied to ATR data to understand the vibration levels and signatures for different operating regimes as displayed by the spectrogram. The combination of coolant pumps for normal and high-power operation generate unique signatures. These acoustic signatures are used to develop machine learning approaches to automatically classify operating regimes. Two machine-learning models, Support Vector Machines and Linear Discriminant Analysis, were developed to classify two event classes. Class 1 is a normal steady-state operation, and Class 2 is any event that is due to start up, shut down, or other actions. Both types of machine learning models had over a 96% prediction accuracy for the two classes. These results lay the foundation for predictive analytic frameworks that can be leveraged by ATR to optimize operations and maintenance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Comparison of Heterogeneous Hydroformylation of Ethylene and Propylene over RhCo 3 /MCM-41 Catalysts

The reaction mechanisms of heterogenous hydroformylation of ethylene and propylene were compared at 413-453 K using RhCo 3 /MCM-41 as catalysts. The reaction rates of propylene for both hydroformylation and the undesired side reaction of hydrogenation were found to be about one order of magnitude lower than those for ethylene in flow reactor studies. The difference in the kinetic behavior between ethylene and propylene was investigated by measuring the reaction orders and apparent activation energies, and these macro-kinetic observables were analyzed using the degree of rate control (DRC) method. In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments were performed to characterize the surface intermediates formed during the reactions. When the reactant was changed from ethylene to propylene, the IR peak corresponding to adsorbed CO exhibited a significant increase, while the IR peaks of alkyl group decreased in magnitude. Combined with the DRIFTS results, DRC analysis indicates that the first step of olefin hydroformylation, the formation of an alkyl group on the catalyst surface, plays a key role in the difference between ethylene and propylene. This step is kinetically non-relevant when ethylene is the reactant, but it is one of the rate-controlling steps for propylene. Furthermore, the low concentration of the adsorbed propyl group, which is a common intermediate shared by both hydroformylation and hydrogenation of propylene, decreases the rates of both reaction pathways as compared to ethylene.

10 SYNTHETIC FUELS↗

Green Needle Coke Production from Pyrolysis Biocrude toward Bio-based Anode Material Manufacture: Biochar Fines Addition Effect as “Physical Template” on the Crystalline Order

Here, a new method for producing green needle coke (GNC) is developed by replacing the “heavy fraction” of petroleum pitch delayed coking with fast pyrolysis biocrude. A series of alternative biocrude distillation, carbonization, and calcination conditions were investigated to determine the influence of these processing parameters onto the crystalline structure of the resulting graphitized material. For the first time, the addition of biochar fines was found to serve as a “physical template” to increase the graphitic nature of the final product. During the initial biocrude carbonization (350–450 °C), volatile compounds are released, and aromatics in pyrolysis biocrude experience condensation, resulting in GNC solids with carbon contents above 95 wt % and some early lamellar structure. In the second stage of the thermal process (25–1500 °C), there are additional thermal decomposition reactions with an increase in the aromatic nature of the graphitized solid. It was found that systematic addition of biochar fines induces a nucleating effect during the GNC development. Thermogravimetric analysis suggests that biochar fines promote polycondensation reactions by modifying the biopitch structure and molecular weight, while elemental analysis (CHN) shows a reduction in both H/C and O/C ratios which are consistent with the increase in aromaticity and removal of oxygenated compounds as thermal treatment evolves. The effects of different bio-based pitch materials (after distillation) and GNC intermediates were evaluated by pyrolysis-gas chromatography mass spectrometry and Fourier transform infrared, displaying slight changes on product yields and quality. X-ray diffraction patterns taken after graphitization evidence an increase in the graphitic order with the addition of biochar fines. Transmittance electron microscopy depicts an improvement on graphitic morphology as biochar fine content increases. The use of biochar fines showed a significant increase in graphitic ordering at addition levels above 0.01 wt %. These results show that thermally treated biocrude/biochar fine systems can produce graphitic structures (hard carbon-like) that might be suitable for the manufacture of sodium-ion batteries.

09 BIOMASS FUELS↗

A unique method to study acoustic transmission through ducts using signal synthesis and averaging of acoustic pulses

An acoustic impulse technique using a loudspeaker driver is developed to measure the acoustic properties of a duct/nozzle system. A signal synthesis method is used to generate a desired single pulse with a flat spectrum. The convolution of the desired signal and the inverse Fourier transform of the reciprocal of the driver's response are then fed to the driver. A signal averaging process eliminates the jet mixing noise from the mixture of jet noise and the internal noise, thereby allowing very low intensity signals to be measured accurately, even for high velocity jets. A theoretical analysis is carried out to predict the incident sound field; this is used to help determine the number and locations of the induct measurement points to account for the contributions due to higher order modes present in the incident tube method. The impulse technique is validated by comparing experimentally determined acoustic characteristics of a duct-nozzle system with similar results obtained by the impedance tube method. Absolute agreement in the comparisons was poor, but the overall shapes of the time histories and spectral distributions were much alike.

Salikuddin, M.↗

Principal Component-Based Radiative Transfer Model (PCRTM) for Hyperspectral Sensors: Theoretical Concept - Part I

Modern infrared satellite sensors such as Atmospheric Infrared Sounder (AIRS), Cosmic Ray Isotope Spectrometer (CrIS), Thermal Emission Spectrometer (TES), Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS) and Infrared Atmospheric Sounding Interferometer (IASI) are capable of providing high spatial and spectral resolution infrared spectra. To fully exploit the vast amount of spectral information from these instruments, super fast radiative transfer models are needed. This paper presents a novel radiative transfer model based on principal component analysis. Instead of predicting channel radiance or transmittance spectra directly, the Principal Component-based Radiative Transfer Model (PCRTM) predicts the Principal Component (PC) scores of these quantities. This prediction ability leads to significant savings in computational time. The parameterization of the PCRTM model is derived from properties of PC scores and instrument line shape functions. The PCRTM is very accurate and flexible. Due to its high speed and compressed spectral information format, it has great potential for super fast one-dimensional physical retrievals and for Numerical Weather Prediction (NWP) large volume radiance data assimilation applications. The model has been successfully developed for the National Polar-orbiting Operational Environmental Satellite System Airborne Sounder Testbed - Interferometer (NAST-I) and AIRS instruments. The PCRTM model performs monochromatic radiative transfer calculations and is able to include multiple scattering calculations to account for clouds and aerosols.

Liu, Xu↗