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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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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on ScAlFe by Materials Project

ScFeAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 12-coordinate geometry to three equivalent Sc, five Fe, and seven Al atoms. All Sc–Sc bond lengths are 3.16 Å. There are a spread of Sc–Fe bond distances ranging from 2.88–3.09 Å. There are a spread of Sc–Al bond distances ranging from 3.01–3.08 Å. In the second Sc site, Sc is bonded in a 12-coordinate geometry to four Sc, seven Fe, and five Al atoms. The Sc–Sc bond length is 2.92 Å. There are a spread of Sc–Fe bond distances ranging from 2.94–3.08 Å. There are a spread of Sc–Al bond distances ranging from 2.89–3.10 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six Sc and six Al atoms to form distorted FeSc6Al6 cuboctahedra that share corners with four equivalent AlSc6Al2Fe4 cuboctahedra, corners with six FeSc6Al6 cuboctahedra, edges with six FeSc6Al6 cuboctahedra, and faces with fourteen AlSc6Al2Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.51–2.62 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to six Sc, four Fe, and two equivalent Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.40–2.80 Å. Both Fe–Al bond lengths are 2.52 Å. In the third Fe site, Fe is bonded to six Sc, four equivalent Fe, and two equivalent Al atoms to form distorted FeSc6Al2Fe4 cuboctahedra that share corners with six FeSc6Al6 cuboctahedra, corners with twelve AlSc6Al2Fe4 cuboctahedra, edges with six FeSc6Al6 cuboctahedra, and faces with ten AlSc6Al2Fe4 cuboctahedra. Both Fe–Al bond lengths are 2.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Sc, four Fe, and two equivalent Al atoms to form distorted AlSc6Al2Fe4 cuboctahedra that share corners with four FeSc6Al6 cuboctahedra, corners with four equivalent AlSc6Al4Fe2 cuboctahedra, edges with six equivalent AlSc6Al2Fe4 cuboctahedra, faces with six FeSc6Al6 cuboctahedra, and faces with eight AlSc6Al2Fe4 cuboctahedra. Both Al–Al bond lengths are 2.71 Å. In the second Al site, Al is bonded to six Sc, two equivalent Fe, and four Al atoms to form distorted AlSc6Al4Fe2 cuboctahedra that share corners with four equivalent FeSc6Al2Fe4 cuboctahedra, corners with eight AlSc6Al2Fe4 cuboctahedra, edges with two equivalent AlSc6Al4Fe2 cuboctahedra, faces with six FeSc6Al6 cuboctahedra, and faces with ten AlSc6Al2Fe4 cuboctahedra. There are one shorter (2.56 Å) and one longer (2.64 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Morpheus Spectral Counter: A computational tool for label-free quantitative mass spectrometry using the Morpheus search engine

Label-free quantitative MS based on the Normalized Spectral Abundance Factor (NSAF) has emerged as a straightforward and robust method to determine the relative abundance of individual proteins within complex mixtures. Here, we present Morpheus Spectral Counter (MSpC) as the first computational tool that directly calculates NSAF values from output obtained from Morpheus, a fast, open-source, peptide-MS/MS matching engine compatible with high-resolution accurate-mass instruments. NSAF has distinct advantages over other MS-based quantification methods, including a higher dynamic range as compared to isobaric tags, no requirement to align and re-extract MS1 peaks, and increased speed. MSpC features an easy to use graphic user interface that additionally calculates both distributed and unique NSAF values to permit analyses of both protein families and isoforms/proteoforms. MSpC determinations of protein concentration were linear over several orders of magnitude based on the analysis of several high-mass accuracy datasets either obtained from PRIDE or generated with total cell extracts spiked with purified Arabidopsis 20S proteasomes. Lastly, the MSpC software was developed in C# and is open sourced under a permissive license with the code made available at http://dcgemperline.github.io/Morpheus_SpC/.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Characterization and Quantification of Intact 26S Proteasome Proteins by Real-Time Measurement of Intrinsic Fluorescence Prior to Top-down Mass Spectrometry

Quantification of gas-phase intact protein ions by mass spectrometry (MS) is impeded by highly-variable ionization, ion transmission, and ion detection efficiencies. Therefore, quantification of proteins using MS-associated techniques is almost exclusively done after proteolysis where peptides serve as proxies for estimating protein abundance. Advances in instrumentation, protein separations, and informatics have made large-scale sequencing of intact proteins using top-down proteomics accessible to the proteomics community; yet quantification of proteins using a top-down workflow has largely been unaddressed. Here we describe a label-free approach to determine the abundance of intact proteins separated by nanoflow liquid chromatography prior to MS analysis by using solution-phase measurements of ultraviolet light-induced intrinsic fluorescence (UV-IF). UV-IF is measured directly at the electrospray interface just prior to the capillary exit where proteins containing at least one tryptophan residue are readily detected. UV-IF quantification was demonstrated using commercially available protein standards and provided more accurate and precise protein quantification than MS ion current. We evaluated the parallel use of UV-IF and top-down tandem MS for quantification and identification of protein subunits and associated proteins from an affinity-purified 26 S proteasome sample from Arabidopsis thaliana. We identified 26 unique proteins and quantified 13 tryptophan-containing species. Our analyses discovered previously unidentified N-terminal processing of the β6 (PBF1) and β7 (PBG1) subunit - such processing of PBG1 may generate a heretofore unknown additional protease active site upon cleavage. In addition, our approach permitted the unambiguous identification and quantification both isoforms of the proteasome-associated protein DSS1.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Diffractive Optic Fluid Shear Stress Sensor

Light scattering off particles flowing through a two-slit inteference pattern can be used to measure the shear stress of the fluid. We have designed and fabricated a miniature diffractive optic sensor based on this principle.

fluid shear stress micro sensor non-invasive senso↗
NASA NTRS2000

Diffractive Optic Fluid Shear Stress Sensor

Light scattering off particles flowing through a two-slit interference pattern can be used to measure the shear stress of the fluid. We have designed and fabricated a miniature diffractive optic sensor based on this principle.

optics↗