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At least 1,261 records · Page 70

Exploring the fragmentation efficiency of proteins analyzed by MALDI-TOF-TOF tandem mass spectrometry using computational and statistical analyses

Matrix-assisted laser desorption/ionization time-of-flight-time-of-flight (MALDI-TOF-TOF) tandem mass spectrometry (MS/MS) is a rapid technique for identifying intact proteins from unfractionated mixtures by top-down proteomic analysis. MS/MS allows isolation of specific intact protein ions prior to fragmentation, allowing fragment ion attribution to a specific precursor ion. However, the fragmentation efficiency of mature, intact protein ions by MS/MS post-source decay (PSD) varies widely, and the biochemical and structural factors of the protein that contribute to it are poorly understood. With the advent of protein structure prediction algorithms such as Alphafold2, we have wider access to protein structures for which no crystal structure exists. In this work, we use a statistical approach to explore the properties of bacterial proteins that can affect their gas phase dissociation via PSD. We extract various protein properties from Alphafold2 predictions and analyze their effect on fragmentation efficiency. Our results show that the fragmentation efficiency from cleavage of the polypeptide backbone on the C-terminal side of glutamic acid (E) and asparagine (N) residues were nearly equal. In addition, we found that the rearrangement and cleavage on the C-terminal side of aspartic acid (D) residues that result from the aspartic acid effect (AAE) were higher than for E- and N-residues. From residue interaction network analysis, we identified several local centrality measures and discussed their implications regarding the AAE. We also confirmed the selective cleavage of the backbone at D-proline bonds in proteins and further extend it to N-proline bonds. Finally, we note an enhancement of the AAE mechanism when the residue on the C-terminal side of D-, E- and N-residues is glycine. To the best of our knowledge, this is the first report of this phenomenon. Our study demonstrates the value of using statistical analyses of protein sequences and their predicted structures to better understand the fragmentation of the intact protein ions in the gas phase.

59 BASIC BIOLOGICAL SCIENCES↗

Coronal temperatures of selected active cool stars as derived from low resolution Einstein observations

Mean coronal temperatures of some active G-K stars were derived from Rev1-processed Einstein-observatory's IPC-spectra. The combined X-ray and transition region emission line data are in rough agreement with static coronal loop models. Although the sample is too small to derive any statistically significant conclusions, it suggests that the mean coronal temperature depends linearly on the inverse Rossby-number, with saturation at short rotation periods.

Vilhu, Osmi↗

Short-term nodal load forecasting based on machine learning techniques

This paper introduces an advanced Short-term Nodal Load Forecasting (STNLF) method that forecasts nodal load profiles for the next day in power systems, based on the combined use of three machine learning techniques. Least Absolute Shrinkage and Selection Operator (LASSO) is employed to reduce the number of features for a single nodal load forecasting. Principal Component Analysis (PCA) is used to capture the features of historical loads in low-dimensional space compared to the original high-dimensional load space where features are barely possible to depict. Additionally, Bayesian Ridge Regression (BRR) is utilized to decide the parameters of the prediction model from a statistics perspective. Tests based on modified PJM load data demonstrate the effectiveness of the proposed STNLF method compared to the state-of-the-art General Regression Neural Network (GRNN) method. Moreover, the reliability of the day-ahead Unit Commitment (UC) solution is shown to have been improved, based on the forecasted load data using the proposed STNLF method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Variational Coupled Loads Analysis using the Hybrid Parametric Variation Method

Time-domain coupled loads analysis (CLA)is used to determine the response of a launch vehicle and payload system to transient forces, such as liftoff, engine ignitions and shutdowns, jettison events, and atmospheric flight loads, such as buffet. CLA, using Hurty/Craig-Bampton (HCB)component models, is the accepted method for the establishment of design-level loads for launch systems. However, uncertainty in the component models flows into uncertainty in predicted system results. Uncertainty in the structural responses during launch is a significant concern because small variations in launch vehicle and payload mode shapes and their interactions can result in significant variations in system loads. Uncertainty quantification (UQ)is used to determine statistical bounds on prediction accuracy based on model uncertainty. In this paper uncertainty is treated at the HCB component-model level. In an effort to account for model uncertainties and statistically bound their effect on CLA predictions, this work combines CLA with UQ in a process termed variational coupled loads analysis (VCLA). The modeling of uncertainty using a parametric approach, in which input parameters are represented by random variables, is common, but its major drawback is the resulting uncertainty is limited to the form of the nominal model. Uncertainty in model form is one of the biggest contributors to uncertainty in complex built-up structures. Model-form uncertainty can be represented using a nonparametric approach based on random matrix theory (RMT). In this work, UQ is performed using the hybrid parametric variation (HPV)method, which combines parametric with nonparametric uncertainty at the HCB component model level. The HPV method requires the selection of dispersion values for the HCB fixed-interface (FI)eigenvalues, and the HCB mass and stiffness matrices. The dispersions are based upon component test-analysis modal correlation results. During VCLA, random component models are assembled into an ensemble of random systems using a Monte Carlo (MC)approach. CLA is applied to each of the ensemble members to produce an ensemble of system-level responses for statistical analysis. The proposed methodology is demonstrated through its application to a buffet loads analysis of NASA’s Space Launch System (SLS)during the transonic regime fifty seconds after liftoff. Core stage (CS)section shears and moments are recovered, and statistics are computed.

Uncertainty Quantification↗

Searching for Spectroscopic Signatures of Ongoing Quenching in SDSS Galaxies

In this paper, we estimate the “star formation change parameter,” SFR 79 , which characterizes the current SFR relative to the average during the last 800 Myr, for ~300,000 galaxies selected from the Sloan Digital Sky Survey (SDSS). The goals are to examine, in a much larger and independent sample, the trends previously reported in a sample of star-forming (SF) MaNGA galaxies and also to search for spectroscopic signatures of ongoing quenching in the so-called “Green Valley,” which is generally believed to contain galaxies that are migrating from the SF population to the quenched population of galaxies. Measuring SFR 79 for our large sample of SDSS galaxies, we first confirm the basic results of SF galaxies published by Wang & Lilly. We then discuss in detail the calibration and meaning of SFR 79 for galaxies that are well below the SFMS and establish the expected statistical signature of systematic ongoing quenching from modeling the z ~ 0 quenching rate of the SF population. We conclude that it is not possible at present to establish unambiguous observational evidence for systematic ongoing quenching processes, due to limitations both in the noise of the observational data, in particular in the measurements of H δ absorption, and in the calibration of SFR 79 , as well as biases introduced by the necessity of selecting objects with significant H α emission. We do however see plausible indications of ongoing quenching, which are quantitatively consistent with expectations from “growth+quenching” models of galaxy evolution and a typical e-folding timescale for quenching of ~500 Myr.

79 ASTRONOMY AND ASTROPHYSICS↗

Infrared studies of elliptical galaxies. II - A radio-selected sample

An IR survey of radio galaxies in the Bologna B2 catalog is reported. It is found that 40 percent of the sample has IR luminosities of at least one billion solar luminosities, as opposed to about 8 pecent of normal ellipticals. The galaxies are inhomogeneous in their IR properties. The most IR-luminous galaxies are those listed as peculiar by Zwicky. Statistically, these galaxies are strikingly different from Seyfert galaxies in their IR properties in that they show much more radio emission in comparison with their IR emission than do Seyferts, even when the emission from the extended radio lobes has been discounted.

Impey, C. D.↗

A Cosmic Void Catalog of SDSS DR12 BOSS Galaxies

We present a cosmic void catalog using the large-scale structure galaxy catalog from the Baryon Oscillation Spectroscopic Survey (BOSS). This galaxy catalog is part of the Sloan Digital Sky Survey (SDSS) Data Release 12 and is the final catalog of SDSS-III. We take into account the survey boundaries, masks, and angular and radial selection functions, and apply the ZOBOV void finding algorithm to the Galaxy catalog. We identify a total of 10,643 voids. After making quality cuts to ensure that the voids represent real underdense regions, we obtain 1,228 voids with effective radii spanning the range 20–100 h{sup −1} Mpc and with central densities that are, on average, 30% of the mean sample density. We release versions of the catalogs both with and without quality cuts. We discuss the basic statistics of voids, such as their size and redshift distributions, and measure the radial density profile of the voids via a stacking technique. In addition, we construct mock void catalogs from 1000 mock galaxy catalogs, and find that the properties of BOSS voids are in good agreement with those in the mock catalogs. We compare the stellar mass distribution of galaxies living inside and outside of the voids, and find no large difference. These BOSS and mock void catalogs are useful for a number of cosmological and galaxy environment studies.

79 ASTRONOMY AND ASTROPHYSICS↗

Experimental study of the γ p → π 0 η p reaction with the A2 setup at the Mainz Microtron

Here, the data available from the A2 Collaboration at MAMI were analyzed to select the γp → π 0 ηp reaction on an event-by-event basis, which allows for partial-wave analyses of three-body final states to obtain more reliable results, compared to fits to measured distributions. These data provide the world’s best statistical accuracy in the energy range from threshold to E γ = 1.45 GeV, allowing a finer energy binning in the measurement of all observables needed for understanding the reaction dynamics. The results obtained for the measured observables are compared to existing models, and the impact from the new data is checked by the fit with the revised Mainz model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NuSTAR Survey of Obscured Swift/BAT-selected Active Galactic Nuclei. II. Median High-energy Cutoff in Seyfert II Hard X-Ray Spectra

Broadband X-ray spectroscopy of the X-ray emission produced in the coronae of active galactic nuclei (AGNs) can provide important insights into the physical conditions very close to their central supermassive black holes. The temperature of the Comptonizing plasma that forms the corona is manifested through a high-energy cutoff that has been difficult to directly constrain even in the brightest AGN because it requires high-quality data at energies above 10 keV. In this paper we present a large collection of coronal cutoff constraints for obscured AGNs based on a sample of 130 AGNs selected in the hard X-ray band with Swift/BAT and observed nearly simultaneously with NuSTAR and Swift/XRT. Additionally, we find that under a reasonable set of assumptions regarding partial constraints the median cutoff is well constrained to 290 ± 20 keV, where the uncertainty is statistical and given at the 68% confidence level. We investigate the sensitivity of this result to our assumptions and find that consideration of various known systematic uncertainties robustly places the median cutoff between 240 and 340 keV. The central 68% of the intrinsic cutoff distribution is found to be between about 140 and 500 keV, with estimated uncertainties of 20 and 100 keV, respectively. In comparison with the literature, we find no clear evidence that the cutoffs in obscured and unobscured AGNs are substantially different. Our analysis highlights the importance of carefully considering partial and potentially degenerate constraints on the coronal high-energy cutoff in AGNs.

79 ASTRONOMY AND ASTROPHYSICS↗

A Catalog of Candidate Double and Lensed Quasars from Gaia and WISE Data

Making use of strong correlations between closely separated multiple or double sources and photometric and astrometric metadata in Gaia Early Data Release 3 (EDR3), we generate a catalog of candidate double- and multiply imaged lensed quasars and active galactic nuclei (AGNs), comprising 3140 systems. It includes two partially overlapping parts: a sample of distant (redshifts mostly greater than 1) sources with perturbed data; and systems that have been resolved into separate components by Gaia at separations less than 2''. For the first part, which is roughly one-third of the published catalog, we synthesized 0.617 million redshifts using multiple machine-learning prediction and classification methods, using independent photometric and astrometric data from Gaia EDR3 and the Wide-field Infrared Survey Explorer, with accurate spectroscopic redshifts from the Sloan Digital Sky Survey (SDSS) as a training set. Using these synthetic redshifts, we estimate a 4.9% rate of interlopers with spectroscopic redshifts below 1 in this part of the catalog. Unresolved candidate double and dual AGNs and quasars are selected as sources with a marginally high BP/RP excess factor (phot_bp_rp_excess_factor), which is sensitive to source extent, limiting our search to high-redshift quasars. For the second part of the catalog, additional filters on measured parallax and near-neighbor statistics are applied to diminish the propagation of the remaining stellar contaminants. The estimated rate of the positives (double or multiple sources) is 98%, and the estimated rate of dual (physically related) quasars is greater than 54%. A few dozen serendipitously found objects of interest are discussed in more detail, including known and new lensed images, planetary nebulae, young IR stars of peculiar morphology, and quasars with catastrophic redshift errors in SDSS.

79 ASTRONOMY AND ASTROPHYSICS↗

A two step linear statistical technique using leaps and bounds procedure for retrieval of geophysical parameters from microwave radiometric data

A linear statistical technique using a 'leaps and bounds' procedure (Furnival and Wilson, 1974) is developed for retrieving geophysical parameters from remote measurements. It is used for retrieving sea surface temperatures from the Scaning Multichannel Microwave Radiometer (SMMR) on Seasat. The technique uses an efficient algorithm to select the best fixed-size subset of the 10 SMMR channels for linearly retrieving a given geophysical parameter. The 5-channel subset (6.6V, 6.6H 10H, 18V, 21H), where V and H refer to, respectively, the vertical and horizontal polarizations and the numbers are the channel frequencies in gigahertz, gives the minimum rms error in estimating the sea surface temperature. A comparison with ground truth indicates that the algorithm infers the temperature with an rms accuracy of better than 1.5 K under most environmental conditions. A quality control procedure which is seen as holding promise for further improving the accuracy is proposed.

Kakar, R. K.↗

Statistical analysis of SSME system data

A statistical methodology to enhance the Space Shuttle Main Engine (SSME) performance prediction accuracy is proposed. This methodology was to be used in conjunction with existing SSME performance prediction computer codes to improve parameter prediction accuracy and to quantify that accuracy. However, after a review of related literature, researchers concluded that the proposed problem required a coverage of areas such as linear and nonlinear system theory, measurement theory, statistics, and stochastic estimation. Since state space theory is the foundation for a more complete study of each of the before mentioned areas, these researchers chose to refocus emphasis to cover the more specialized topic of state vector estimation procedures. State vector estimation was also selected because of current and future concerns by NASA for SSME performance evaluation; i.e., there is a current interest in an improved evaluation procedure for actual SSME post flight performance as well as for post static test performance of a single SSME. A current investigation of analytical methods may be used to improve test stand failure detection. This paper considers the issue of post flight/test state variable reconstruction through the application of observations made on the output of the Space Shuttle propulsion system. Rogers used the Kalman filtering procedure to reconstruct the state variables of the Space Shuttle propulsion system. An objective of this paper is to give the general setup of the Kalman filter and its connection to linear regression. A second objective is to examine the reconstruction methodology for application to the reconstruction of the state vector of a single Space Shuttle Main Engine (SSME) by using static test firing data.

Temple, Enoch C.↗

BATSE software for the analysis of the gamma ray burst spatial distribution

The Burst and Transient Source Experiment (BATSE) on the Gamma Ray Observatory (GRO) is designed to study astronomical gamma ray sources and to provide better positional, spectral, and time resolution about these objects than has previously been possible from one experiment. The procedure to be used in the analysis of the gamma ray burst spatial distribution is presented. Data is input from BATSE via the Gamma Ray Burst Catalog (listing individual burst positions, flux values, and associated errors) and the Sky Sensitivity Map (which summarizes observational selection effects in table format). A FORTRAN program generates Monte Carlo burst catalogs, which are models to be compared to the actual distribution. The Monte Carlo models are then filtered through the Sky Sensitivity Map so that they suffer from the same selection effects as the actual catalog data. Additionally, each burst position is converted into a probability distribution to mimic BATSE positional sensitivity. The Burst Catalog, Monte Carlo burst catalog, and Sky Sensitivity Map are then passed onto an IDL program that compares the catalogs for statistical significance. The Sky Sensitivity Map is used to estimate how often each sky area is observed above the minimum flux level in question. Each burst found in this sky area is then weighted according to the frequency with which this sky area is observed. The catalogs are then compared via tests of homogeneity (based on their radial distributions) and isotropy (based upon their angular distributions). The results of the statistical comparisons along with graphs and charts of the summaries, are output from the IDL program for study.

Hakkila, Jon↗

Microstructural design of fiber composites

The optimum performance design of composite microstructures is discussed. The forces driving progress in fiber composites are examined, and recent developments in the mechanics of laminated composites are surveyed, emphasizing thick laminates, hygrothermal effects, and thermal transient effects. The strength of continuous-fiber composites is discussed, presenting analyses of local load redistribution due to fiber breakages and treatments of statistical tensile strength theories. Modes of failure of laminated composites are examined. Elastic, physical, and viscoelastic properties as well as the strength and fracture behavior of short-fiber composites are studied, and it is shown how the performance of composites can be controlled by selecting material systems and their geometric distributions. 2D textile structural composites based on woven, knitted, and braided preforms are considered, and techniques for analyzing and modeling the thermomechanical behavior of 2D textile composites are presented. Recent developments in the processing of 3D textile preforms are introduced and the processing-microstructure relationship is demonstrated. Finite elastic deformation of flexible composites is addressed.

Chou, Tsu-Wei↗

A deep x ray survey in the Lockman hole and the soft x ray log N - log S

The longest pointed observation (152 ksec) with the Rosat position sensitive proportional counter in the direction of the absolutely lowest neutral hydrogen column density is discussed. 26 shallower fields from the Rosat medium sensivity survey are analyzed. 1176 X-ray sources were detected in at least one Rosat energy band in these fields covering a total solid angle of 9.3 deg; 661 of these sources constitute a statistically complete sample detected in the hard band with 0.5 to 2 keV fluxes greater than 2.5 times 10 to the power of minus 15 erg/sq cm s. The faintest limiting flux of the survey is analyzed. Detailed simulations show that confusion effects and other selection biases are relatively small and can be corrected for in the sample. From an analysis in the Lockman field, a best fit slope of approximately 1.8 is found for the extrapolation of the differential X-ray counts below 2.5 times 10 to the power of minus 15 erg/sq cm s. On the basis of this analysis an upper limit of approximately 25% can be found for a truly diffuse background component in the Rosat hard band.

Hasinger, G.↗

LES on unstructured deforming meshes: Towards reciprocating IC engines

A variable explicit/implicit characteristics-based advection scheme that is second-order accurate in space and time has been developed recently for unstructured deforming meshes (O'Rourke & Sahota 1996a). To explore the suitability of this methodology for Large-Eddy Simulation (LES), three subgrid-scale turbulence models have been implemented in the CHAD CFD code (O'Rourke & Sahota 1996b): a constant-coefficient Smagorinsky model, a dynamic Smagorinsky model for flows having one or more directions of statistical homogeneity, and a Lagrangian dynamic Smagorinsky model for flows having no spatial or temporal homogeneity (Meneveau et al. 1996). Computations have been made for three canonical flows, progressing towards the intended application of in-cylinder flow in a reciprocating engine. Grid sizes were selected to be comparable to the coarsest meshes used in earlier spectral LES studies. Quantitative results are reported for decaying homogeneous isotropic turbulence, and for a planar channel flow. Computations are compared to experimental measurements, to Direct-Numerical Simulation (DNS) data, and to Rapid-Distortion Theory (RDT) where appropriate. Generally satisfactory evolution of first and second moments is found on these coarse meshes; deviations are attributed to insufficient mesh resolution. Issues include mesh resolution and computational requirements for a specified level of accuracy, analytic characterization of the filtering implied by the numerical method, wall treatment, and inflow boundary conditions. To resolve these issues, finer-mesh simulations and computations of a simplified axisymmetric reciprocating piston-cylinder assembly are in progress.

Haworth, D. C.↗

The Role of Spatial Disorientation in Fatal General Aviation Accidents

In-flight Spatial Disorientation (SD) in pilots is a serious threat to aviation safety. Indeed, SD may play a much larger role in aviation accidents than the approximate 6-8% reported by the National Transportation Safety Board (NTSB) each year, because some accidents coded by the NTSB as aircraft control-not maintained (ACNM) may actually result from SD. The purpose of this study is to determine whether SD is underestimated as a cause of fatal general aviation (GA) accidents in the NTSB database. Fatal GA airplane accidents occurring between January 1995 and December 1999 were reviewed from the NTSB aviation accident database. Cases coded as ACNM or SD as the probable cause were selected for review by a panel of aerospace medicine specialists. Using a rating scale, each rater was instructed to determine if SD was the probable cause of the accident. Agreement between the raters and agreement between the raters and the NTSB were evaluated by Kappa statistics. The raters agreed that 11 out of 20 (55%) accidents coded by the NTSB as ACNM were probably caused by SD (p less than 0.05). Agreement between the raters and the NTSB did not reach significance (p greater than 0.05). The 95% C.I. for the sampling population estimated that between 33-77% of cases that the NTSB identified as ACNM could be identified by aerospace medicine experts as SD. Aerospace medicine specialists agreed that some cases coded by the NTSB as ACNM were probably caused by SD. Consequently, a larger number of accidents may be caused by the pilot succumbing to SD than indicated in the NTSB database. This new information should encourage regulating agencies to insure that pilots receive SD recognition training, enabling them to take appropriate corrective actions during flight. This could lead to new training standards, ultimately saving lives among GA airplane pilots.

Scheuring, RIchard↗

A Scanning Hartmann Focus Test for the EUVI Telescopes aboard STEREO

The Solar TErrestrial RElations Observatory (STEREO), the third mission in NASA's Solar Terrestrial Probes program, was launched in 2006 on a two year mission to study solar phenomena. STEREO consists of two nearly identical satellites, each carrying an Extreme Ultraviolet Imager (EUVI) telescope as part of the Sun Earth Connection Coronal and Heliospheric Investigation instrument suite. EUVI is a normal incidence, 98mm diameter, Ritchey-Chretien telescope designed to obtain wide field of view images of the Sun at short wavelengths (17.1-30.4nm) using a CCD detector. The telescope entrance aperture is divided into four quadrants by a mask near the secondary mirror spider veins. A mechanism that rotates another mask allows only one of these sub-apertures to accept light over an exposure. The EUVI contains no focus mechanism. Mechanical models predict a difference in telescope focus between ambient integration conditions and on-orbit operation. We describe an independent check of the ambient, ultraviolet, absolute focus setting of the EUVI telescopes after they were integrated with their respective spacecraft. A scanning Hartmann-like test design resulted from constraints implied by the EUVI aperture select mechanism. This inexpensive test was simultaneously coordinated with other NASA integration and test activities in a high-vibration, clean room environment. The total focus test error was required to be better than +/-0.05 mm. We describe the alignment and test procedure, sources of statistical and systematic error, and then the focus determination results using various algorithms. The results are consistent with other tests of focus alignment and indicate that the EUVI telescopes meet the ambient focus offset requirements. STEREO is functioning well on-orbit and the EUVI telescopes meet their on-orbit image quality requirements.

Ohl, Ray↗