Leveraging Immonium Ions for Targeting Acyl-Lysine Modifications in Proteomic Datasets
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Biochemistry & Molecular Biology↗
SEARCH · Engineering Papers
Results for “spectrum analysis”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Primordial non-Gaussianity from the completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey II: measurements in Fourier space with optimal weights
ABSTRACT We present measurements of the local primordial non-Gaussianity parameter $f_{\mathrm{NL}}^\mathrm{local} $from the clustering of 343 708 quasars with redshifts 0.8 < z < 2.2 distributed over 4808 deg2 from the final data release (DR16) of the extended Baryon Acoustic Oscillation Spectroscopic Survey (eBOSS), the largest volume spectroscopic survey up to date. Our analysis is performed in Fourier space, using the power spectrum monopole at very large scales to constrain the scale-dependent halo bias. We demonstrate the robustness of our analysis pipeline with EZ-mock catalogues that simulate the eBOSS DR16 target selection. We carefully assess the impact of systematics on our measurement, exploiting a novel neural network scheme for cleaning the DR16 sample as well as test multiple contamination removal methods. We estimate the bias due to the overcorrection of the systematic removal to be sub-dominant compared to the statistical uncertainty. We find fNL = −12 ± 21 (68 per cent confidence) for the main clustering sample including quasars with redshifts between 0.8 and 2.2, after applying redshift weighting techniques, designed for non-Gaussianity measurement from large scales structure, to optimize our analysis, which improve our results by 37 per cent.
79 ASTRONOMY AND ASTROPHYSICS↗
An energy-modified quantum defect method for the analysis of Rydberg spectra: Application to 2-butyne
The high resolution Rydberg absorption spectrum of 2-butyne C 4 H 6 recorded previously at the SOLEIL synchrotron facility has been interpreted using multichannel quantum defect theory (MQDT). The calculations are based on the continuum scattering calculations of Xu et al., J. Chem. Phys. 136, 154303 (2012) and of Jacovella et al., J. Phys. Chem. A 119, 12339 (2015) pertaining to the dipole-allowed excited state symmetries in absorption from the ground state. In contrast to the traditional approach of calculating low-lying electronic states first and then attempting to extend the calculations to ever higher energy, here the analysis proceeds through the extension of these detailed calculations of the electronic continuum scattering down into the discrete region of the spectrum. The continuum reaction matrices and dipole transition moments are adapted to the discrete Rydberg region via the use of an energy-modified formulation of MQDT theory and associated energy dependences of the quantum defects. The analysis reproduces more than 40 Rydberg states from n ≈ 10 down to the 3 d and 4 s levels with an rms error of better than 20 cm −1 . Further, these belong to five Rydberg series with three different molecular symmetries. While the approach predicts many additional series, most of these are calculated and observed to carry only little oscillator strength. The analysis shows that the Rydberg spectrum is dominated by the excitation of an e″ symmetry electron of fδ and gπ type, in line with what previous studies of the above-threshold shape resonance of 2-butyne have shown. The present study is intended to serve as an example showing how first principles continuum calculations may be useful for the interpretation of highly bound discrete states in a range that poses problems for the standard ab initio techniques. The quantitative treatment of the dipole absorption cross sections is deferred to a future paper.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Fisher for complements: extracting cosmology and neutrino mass from the counts-in-cells PDF
In this work, we comprehensively analyse the cosmology dependence of counts-in-cells statistics. Furthermore, we focus on the shape of the one-point probability distribution function (PDF) of the matter density field at mildly non-linear scales. Based on large-deviation statistics, we parametrize the cosmology dependence of the matter PDF in terms of the linear power spectrum, the growth factor, the spherical collapse dynamics, and the non-linear variance. We extend our formalism to include massive neutrinos, finding that the total matter PDF is highly sensitive to the total neutrino mass Mν and can disentangle it from the clustering amplitude σ 8 . Additionally, using more than a million PDFs extracted from the Quijote simulations, we determine the response of the matter PDF to changing parameters in the νΛCDM model and successfully cross-validate the theoretical model and the simulation measurements. We present the first νΛCDM Fisher forecast for the matter PDF at multiple scales and redshifts, and its combination with the matter power spectrum. We establish that the matter PDF and the matter power spectrum are highly complementary at mildly non-linear scales. The matter PDF is particularly powerful for constraining the matter density Ωm, clustering amplitude σ 8 and the total neutrino mass Mν. Adding the mildly non-linear matter PDF to the mildly non-linear matter power spectrum improves constraints on Ω m by a factor of 5 and σ 8 by a factor of 2 when considering the three lowest redshifts. In our joint analysis of the matter PDF and matter power spectrum at three redshifts, the total neutrino mass is constrained to better than 0.01 eV with a total volume of 6 (Gpc h -1 ) 3 . We discuss how density-split statistics can be used to translate those encouraging results for the matter PDF into realistic observables in galaxy surveys.
79 ASTRONOMY AND ASTROPHYSICS↗
Image registration for accurate electrode deformation analysis in operando microscopy of battery materials
Operando imaging techniques have become increasingly valuable in both battery research and manufacturing. However, the reliability of these methods can be compromised by instabilities in the imaging setup and operando cells, particularly when utilizing high-resolution imaging systems. The acquired imaging data often include features arising from both undesirable system vibrations and drift, as well as the scientifically relevant deformations occurring in the battery sample during cell operation. For meaningful analysis, it is crucial to distinguish and separately evaluate these two factors. To address these challenges, we employ a suite of advanced image-processing techniques. These include fast Fourier transform analysis in the frequency domain, power spectrum-based assessments for image quality, as well as rigid and non-rigid image-registration methods. These techniques allow us to identify and exclude blurred images, correct for displacements caused by motor vibrations and sample holder drift and, thus, prevent unwanted image artifacts from affecting subsequent analyses and interpretations. Additionally, we apply optical flow analysis to track the dynamic deformation of battery electrode materials during electrochemical cycling. This enables us to observe and quantify the evolving mechanical responses of the electrodes, offering deeper insights into battery degradation. Together, these methods ensure more accurate image analysis and enhance our understanding of the chemomechanical interplay in battery performance and longevity.
Sun, Tianxiao↗
Gamma-ray emission from globular clusters. Shock high energy emission from the Be-Star/Pulsar System PSR 1259-63. Echoes in x-ray novae
This grant covers work on the Compton phase 3 investigation, 'Shock High Energy Emission from the Be- Star/Pulsar System PSR 1259-63' and cycle 4 investigations 'Diffuse Gamma-Ray Emission at High Latitudes' and 'Echoes in X-Ray Novae'. Work under the investigation 'Diffuse Gamma-Ray Emission at High Latitudes' has lead to the publication of a paper (attached), describing gamma-ray emissivity variations in the northern galactic hemisphere. Using archival EGRET data, we have found a large irregular region of enhanced gamma-ray emissivity at energies greater 100 MeV. This is the first observation of local structure in the gamma-ray emissivity. Work under the investigation 'Echoes in X-Ray Novae' is proceeding with analysis of data from OSSE from the transient source GRO J1655-40. The outburst of this source last fall triggered this Target of Opportunity investigation. Preliminary spectral analysis shows emission out to 600 keV and a pure power low spectrum with no evidence of an exponential cutoff. Work is complete on the analysis of BATSE data from the Be-Star/Pulsar Sustem PSR 1259-63.
Kaaret, Philip↗
SCAT uncovers ATLAS’s first tidal disruption event ATLAS18mlw: a faint and fast TDE in a quiescent Balmer strong Galaxy
ABSTRACT We present the discovery that ATLAS18mlw was a tidal disruption event (TDE) in the galaxy WISEA J073544.83+663717.3, at a luminosity distance of 334 Mpc. Initially discovered by the Asteroid Terrestrial Impact Last Alert System (ATLAS) on 2018 March 17.3, the TDE nature of the transient was uncovered only recently with the re-reduction of a SuperNova Integral Field Spectrograph (SNIFS) spectrum. This spectrum, taken by the Spectral Classification of Astronomical Transients (SCAT) survey, shows a strong blue continuum and a broad H α emission line. Here, we present roughly 6 yr of optical survey photometry beginning before the TDE to constrain active galactic nucleus activity, optical spectroscopy of the transient, and a detailed study of the host galaxy properties through analysis of archival photometry and a host spectrum. ATLAS18mlw was detected in ground-based light curves for roughly 2 months. From a blackbody fit to the transient spectrum and bolometric correction of the optical light curve, we conclude that ATLAS18mlw is best explained by a low-luminosity TDE with a peak luminosity of log(L [erg s−1]) = 43.5 ± 0.2. The TDE classification is further supported by the quiescent Balmer strong nature of the host galaxy. We also calculated the TDE decline rate from the bolometric light curve and find ΔL40 = −0.7 ± 0.2 dex, making ATLAS18mlw a member of the growing class of ‘faint and fast’ TDEs with low peak luminosities and fast decline rates.
79 ASTRONOMY AND ASTROPHYSICS↗
The water abundance of the directly imaged substellar companion κ and b retrieved from a near infrared spectrum
Spectral retrieval has proven to be a powerful tool for constraining the physical properties and atmospheric compositions of extrasolar planet atmospheres based on observed spectra, primarily for transiting objects but also for directly imaged planets and brown dwarfs. Despite its strengths, this approach has been applied to only about a dozen targets. Determining the abundances of the main carbon- and oxygen-bearing compounds in a planetary atmosphere can lead to the C/O ratio of the object, which is crucial for understanding its formation and migration history. We present a retrieval analysis of the published near-infrared spectrum of κ Andromedae b, a directly imaged substellar companion to a young B9 star. We fit the emission spectrum model utilizing a Markov Chain Monte Carlo algorithm. We estimate the abundance of water vapor, and its uncertainty, in the atmosphere of the object. In addition, we place an upper limit on the abundance of CH{sub 4}. We qualitatively compare our results with studies that have applied model retrieval on multiband photometry and emission spectroscopy of hot Jupiters (extrasolar giant planets with orbital periods of several days) and the directly imaged giant planet HR 8799b.
79 ASTRONOMY AND ASTROPHYSICS↗
Single-cell raman spectroscopy for the non-destructive, non-invasive analysis of cells and cellular components
Raman spectra of cells, such as normal human T- and B-cells from peripheral blood or human tonsil and the corresponding transformed cells are obtained by optically trapping the cells and obtaining their Raman spectra. The trapped cells can be subjected to one, two, or more different excitation wavelengths, and each wavelength of the corresponding Raman spectra can be stored in a separate channel. In preferred embodiments, two spectra are subtracted from each other to give a difference spectrum and each channel is analyzed independently to characterize the trapped cell. Alternatively, the Raman spectrum can be subjected to Principal Component Analysis (PCA) in order to characterize the trapped cell. The trapped cell thus classified can be sorted, or further manipulated.
Chan, James W.↗
On the analysis of signal peaks in pulse-height spectra
The estimation of the signal location and intensity of a peak in a pulse height spectrum is important for X- ray and γ-ray spectroscopy, charged-particle spectrometry, liquid chromatography, and many other subfields. However, both the ‘‘centroid’’ and ‘‘signal intensity’’ of a peak in a pulse-height spectrum are ill-defined quantities and different methods of analysis will yield different numerical results. Here, we apply three methods of analysis. Method A is based on simple count summation and is likely the technique most frequently applied in practice. The analysis is straightforward and fast, and does not involve any statistical modeling. We find that it provides reliable results only for high signal-to-noise data, but has severe limitations in all other cases. Method B employs a Bayesian model to extract signal counts and centroid from the measured total and background counts. The resulting values are derived from the respective posteriors and, therefore, have a rigorous statistical meaning. The method makes no assumptions about the peak shape. It yields reliable and relatively small centroid uncertainties. However, it provides relatively large signal count uncertainties. Method C makes a strong assumption regarding the peak shape by fitting a Gaussian function to the data. Furthermore, the fit is based again on a Bayesian model. Although Method C requires careful consideration of the Gaussian width (usually given by the detector resolution) used in the fitting, it provides reliable values and relatively small uncertainties both for the signal counts and the centroid.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Fiscal Year 2023 Software Quality Assurance Activities for the ARC Software
The Argonne Reactor Code (ARC) software suite [1-17] has been developed by Argonne researchers for fast reactor design and analysis since the 1970s. With the ARC software suite, a user can quickly build a model of a proposed or existing fast spectrum reactor and carry out fuel cycle, nominal thermal analysis and flow requirements, and assess, as is appropriate, whether the core design and constraint system yield an acceptable mechanical behavior. For transient reactor analysis with SAS4A [18], the ARC software suite can be used to generate reactivity coefficients and kinetics parameters at any modeled fuel cycle time point which forms part of the input to SAS4A. The ARC suite was consistently being developed until the 1990s and followed a software QA program which was an appropriate standard for the time. In the 1990s, the DOE funding to fast reactor research and development was all but eliminated and the ARC software was put into maintenance mode. In the early 2000s, the software quality assurance (SQA) program for ARC was still in place to define an official version, but by 2005 it all but was abandoned as there were insufficient staff to fill the work roles. Since 2005, there has been a considerable increase in research and design work on fast spectrum reactors. The ARC software as a whole has since been exported to many universities and commercial companies and ANL support has been given to the various projects over the years [19-23]. Further, MC 2 -3, PERSENT, and DASSH were all developed after 2005 without any adherence to a software standard. In recent time, the DOE VTR project [22] paid for verification work to be done on the ARC software as part of the goal of making it NQA-1 complaint. The VTR project was not considered the appropriate pathway to fund and maintain a SQA program for the ARC software and while software developments (DASSH) were made and several manuals were updated and software verification work was carried out, the ARC software is not NQA-1 compliant. More recently the Advanced Reactor Development Program (ARDP [23]) has funded the creation of manuals for some ARC utility programs and funded additional software verification work on DIF3D [6, 7] and MC 2 -3 [2-5] for the purpose of commercial grade dedication. Because of the VTR and ARDP projects, software verification work was completed on MC 2 -3 and DIF3D, and detailed reports were created for each piece of software, which discuss the inputs and outputs from the codes that are covered by the verification work and link various analytic, code-to-code, and hand calculation based verification work presented in the report with verification test problems provided with the software. This is a key part of the commercial grade dedication work and constitutes the bulk of the cost to get the ARC software to commercial grade. The ARC software suite is a valuable asset as a fast reactor design and analysis tool set that has been reasonably well verified and validated with various fast reactor benchmark problems and experiments over decades. Some or all of the ARC software suite has been utilized for designing the IFR [20], PGSFR [21], VTR [22], and Natrium [23] reactors and we can expect it to continue to be used for advanced fast reactor design and/or confirmatory calculation purposes in the future. Due to increased interest by commercial companies and regulatory bodies, it is becoming more important to make the ARC software suite complete and ready-to-use in terms of its SQA pedigree and commercial grade dedication needs. This report discusses the achievements made towards building a new SQA program for the ARC software and dealing with outstanding identified QA gaps.
97 MATHEMATICS AND COMPUTING↗
THERMAL CHARACTERISTICS AND THE DIFFERENTIAL EMISSION MEASURE DISTRIBUTION DURING A B8.3 FLARE ON 2009 JULY 4
We investigate the evolution of the differential emission measure distribution (DEM[ T ]) in various phases of a B8.3 flare which occurred on 2009 July 04. We analyze the soft X-ray (SXR) emission in the 1.6–8.0 keV range, recorded collectively by the Solar Photometer in X-rays (SphinX; Polish) and the Solar X-ray Spectrometer (Indian) instruments. We conduct a comparative investigation of the best-fit DEM[ T ] distributions derived by employing various inversion schemes, namely, single Gaussian, power-law functions and a Withbroe–Sylwester (W–S) maximum likelihood algorithm. In addition, the SXR spectrum in three different energy bands, that is, 1.6–5.0 keV (low), 5.0–8.0 keV (high), and 1.6–8.0 keV (combined), is analyzed to determine the dependence of the best-fit DEM[ T ] distribution on the selection of the energy interval. The evolution of the DEM[ T ] distribution, derived using a W–S algorithm, reveals multi-thermal plasma during the rise to the maximum phase of the flare, and isothermal plasma in the post-maximum phase of the flare. The thermal energy content is estimated by considering the flare plasma to be (1) isothermal and (2) multi-thermal in nature. We find that the energy content during the flare, estimated using the multi-thermal approach, is in good agreement with that derived using the isothermal assumption, except during the flare maximum. Furthermore, the (multi-) thermal energy estimated while employing the low-energy band of the SXR spectrum results in higher values than that derived from the combined energy band. On the contrary, the analysis of the high-energy band of the SXR spectrum leads to lower thermal energy than that estimated from the combined energy band.
79 ASTRONOMY AND ASTROPHYSICS↗
Alternative licensing arrangements and spectrum economics: The case of multipoint distribution service
At present, the Federal Communications Commission assigns radio licenses following a determination of the public interest. Whenever mutually conflicting license applications are filed, the Commission holds a comparative hearing. This assignment mechanism is criticized as cumbersome and unrealiable, and three alternatives are proposed: increasing the available spectrum, and either auctions or lotteries of radio licenses. An analysis is presented of the present system and these alternative arrangments for assigning rights to the frequency spectrum for the Multipoint Distribution Service (MDS). Although MDS is a relatively minor radio service, it serves as a prototype for message distribution services with a large potential for use in business communications. Moreover, the way in which the initial batch of MDS licenses was assigned provides a unique opportunity for empirical work on the economics of the licensing process.
Agnew, C. E.↗
SRG110 Stirling Generator Dynamic Simulator Vibration Test Results and Analysis Correlation
The U.S. Department of Energy (DOE), Lockheed Martin (LM), and NASA Glenn Research Center (GRC) have been developing the Stirling Radioisotope Generator (SRG110) for use as a power system for space science missions. The launch environment enveloping potential missions results in a random input spectrum that is significantly higher than historical RPS launch levels and is a challenge for designers. Analysis presented in prior work predicted that tailoring the compliance at the generator-spacecraft interface reduced the dynamic response of the system thereby allowing higher launch load input levels and expanding the range of potential generator missions. To confirm analytical predictions, a dynamic simulator representing the generator structure, Stirling convertors and heat sources was designed and built for testing with and without a compliant interface. Finite element analysis was performed to guide the generator simulator and compliant interface design so that test modes and frequencies were representative of the SRG110 generator. This paper presents the dynamic simulator design, the test setup and methodology, test article modes and frequencies and dynamic responses, and post-test analysis results. With the compliant interface, component responses to an input environment exceeding the SRG110 qualification level spectrum were all within design allowables. Post-test analysis included finite element model tuning to match test frequencies and random response analysis using the test input spectrum. Analytical results were in good overall agreement with the test results and confirmed previous predictions that the SRG110 power system may be considered for a broad range of potential missions, including those with demanding launch environments.
Suarez, Vicente J.↗
Detection of Photospheric Features in the Near-Infrared Spectrum of a Class 0 Protostar
We present a near-infrared K-band R ≃ 1500 Keck spectrum of S68N, a Class 0 protostar in the Serpens molecular cloud. The spectrum shows a very red continuum, CO absorption bands, weak or non-existent atomic metal absorptions, and H2 emission lines. The near-IR H2 emission is consistent with excitation in shocks or by X-rays but not by UV radiation. We model the absorption component as a stellar photosphere plus circumstellar continuum emission with wavelength-dependent extinction. A Markov Chain Monte Carlo analysis shows that the most likely model parameters are consistent with a low-temperature, low-gravity photosphere with signifi cant extinction and no more than modest continuum veiling. Its T(eff) ≃ 3260 K effective temperature is similar to that of older, more evolved pre-main-sequence stars, but its surface gravity log g ≃ 2:4 cm/sq.s is approximately 1 dex lower. This implies that the radius of this protostar is a factor of ~ 3 larger than that of 106 yr old T Tauri stars. Its low veiling is consistent with a circumstellar disk having intrinsic near-IR emission that is less than or equal to that of more evolved Class I protostars. Along with the high extinction, this suggests that most of the circumstellar material is in a cold envelope, as expected for a Class 0 protostar. This is the first known detection and analysis of a Class 0 protostar absorption spectrum.
Thomas P Greene↗
Evaluation of nature and intensity of fire concrete spalling by frequency analysis of sound records
Highlights: • Original sound-based NDT method to assess the spalling form and intensity within the time of the test is proposed. • Frequency analysis of recorded sound provides a quantitative and qualitative assessment of concrete propensity to spalling. • Nature of fire concrete spalling can be categorized by a well-defined frequency value. • Waveform and spectrogram analysis delivers information on the exact number of spalling events within the performed test. The paper presents a new method for identifying the form and intensity of spalling using an analysis of the acoustic signal emitted by concrete. To assess the intensity and monitor the course of concrete spalling during fire exposure, the analysis of the recorded sound from the furnace chamber is used. The spalling intensity was determined based on signal amplitude analysis. Investigation of sound records showed that the character of spalling can be categorized by a well-defined frequency value. Based on the analysis of the Fast Fourier Transform (FFT) spectrum, the authors have distinguished the following phenomena that are the source of the signal by assigning the corresponding frequency of the sound wave vibration: explosive spalling, aggregate spalling and destructive spalling.
36 MATERIALS SCIENCE↗
Au 130− x Ag x Nanoclusters with Non‐Metallicity: A Drum of Silver‐Rich Sites Enclosed in a Marks‐Decahedral Cage of Gold‐Rich Sites
Abstract The synthesis and structure of atomically precise Au 130− x Ag x (average x= 98) alloy nanoclusters protected by 55 ligands of 4‐ tert ‐butylbenzenethiolate are reported. This large alloy structure has a decahedral M 54 (M=Au/Ag) core. The Au atoms are localized in the truncated Marks decahedron. In the core, a drum of Ag‐rich sites is found, which is enclosed by a Marks decahedral cage of Au‐rich sites. The surface is exclusively Ag−SR; X‐ray absorption fine structure analysis supports the absence of Au−S bonds. The optical absorption spectrum shows a strong peak at 523 nm, seemingly a plasmon peak, but fs spectroscopic analysis indicates its non‐plasmon nature. The non‐metallicity of the Au 130− x Ag x nanocluster has set up a benchmark to study the transition to metallic state in the size evolution of bimetallic nanoclusters. The localized Au/Ag binary architecture in such a large alloy nanocluster provides atomic‐level insights into the Au−Ag bonds in bimetallic nanoclusters.
Higaki, Tatsuya↗
Au 130− x Ag x Nanoclusters with Non‐Metallicity: A Drum of Silver‐Rich Sites Enclosed in a Marks‐Decahedral Cage of Gold‐Rich Sites
Abstract The synthesis and structure of atomically precise Au 130− x Ag x (average x= 98) alloy nanoclusters protected by 55 ligands of 4‐ tert ‐butylbenzenethiolate are reported. This large alloy structure has a decahedral M 54 (M=Au/Ag) core. The Au atoms are localized in the truncated Marks decahedron. In the core, a drum of Ag‐rich sites is found, which is enclosed by a Marks decahedral cage of Au‐rich sites. The surface is exclusively Ag−SR; X‐ray absorption fine structure analysis supports the absence of Au−S bonds. The optical absorption spectrum shows a strong peak at 523 nm, seemingly a plasmon peak, but fs spectroscopic analysis indicates its non‐plasmon nature. The non‐metallicity of the Au 130− x Ag x nanocluster has set up a benchmark to study the transition to metallic state in the size evolution of bimetallic nanoclusters. The localized Au/Ag binary architecture in such a large alloy nanocluster provides atomic‐level insights into the Au−Ag bonds in bimetallic nanoclusters.
Higaki, Tatsuya↗