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At least 73 records · Page 4

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NASA NTRS1996

Revised Depletions and New Constraints on Interstellar Dust Composition

We have reviewed the literature on composition of young stars, both hot and cool, as well as older solar-type stars. We find that all these classes of stars have lower abundances of the heavy elements (specifically C, N, O, Mg, Si, and Fe) than the sun. Therefore studies of interstellar depletions in which the solar composition is used as the reference standard are probably in error, tending to overestimate the total quantities of these elements, hence the depletions. We have revised the depletion estimates, using stellar abundances as the reference standard and making use of recent IS gas-phase abundance measurements. As a result of our revised depletions, we can place new and stringent constraints on several published models for the interstellar dust.

Snow, Theodore P.↗

NASA NTRS1974

Isotopic composition of lithium, potassium, rubidium, and strontium in lunar surface material

The isotopic composition of alkali and alkaline earth elements in the Luna 16 regolith was investigated by the method of thermionic emission, without chemical separation. The isotopic composition of the lithium in two regolith samples did not differ (within the limits 0.5 percent) from the mean of the terrestrial reference standard. At the same time, the observed difference (1 percent) in the isotopic composition of lithium between the samples requires further investigation and confirmation. The isotopic compositions of K and Rb did not differ within the limits of experimental error from the isotopic composition of the reference standard.

Zaslavskiy, V. G.↗

DOE OSTI2024

Statistically-driven Experimental Design to Improve Reference-free Quantification of Small Molecules by Liquid Chromatography-Mass Spectrometry

Non-targeted analysis of small molecules and metabolites in unknown, complex samples using liquid chromatography-tandem mass spectrometry remains challenging. One of the main bottlenecks is the extensive unannotated regions of metabolomics mass spectrometry data, resulting in knowledge gaps. Small molecule annotation in mass spectrometry data has conventionally relied on reference standards and libraries for compound identification and confirmation, which can constrain compound identification to those molecules already known, thus limiting the ability to discover new knowledge and new markers. Retention time prediction can facilitate and expedite unknown compound identification in non-targeted analysis of complex metabolomics samples. Additionally, accurate retention time predictions can also inform sample mixture design for LC-MS/MS analyses. However, current machine learning-based methods for retention time prediction are typically developed for specific chromatographic platforms and are not generalizable across scales. And while technologies and methods to improve reference-free metabolite identification for more comprehensive annotation of unknowns has received much attention, development of the same for quantitation without reference standards has been much more limited, despite its importance in toxicological, environmental, food safety, forensics, and clinical applications. We believe that a reference-free quantitation strategy that exploits mass spectrometry data already collected for reference-free identification can provide much more insight on unknowns, and move the metabolomics field for more complete unknowns characterization. As such, we pursue two efforts to improve upon current state-of-the-art methods in non-targeted analysis: (1) machine learning-based retention time prediction and (2) statistical design of experiments framework for reference-free quantitation. In this work, we develop and demonstrate (1) a generalizable retention time prediction capability across chromatographic conditions and scales, and (2) a statistical design-based framework for response factor contribution elucidation and reference-free quantitation. Evaluation of our retention time prediction model, PrediToR, showed approximately 24% improvement over current models, and we observed approximately 10X improvement in concentration estimation accuracy from our statistical design-based response factor model over a primarily ionization efficiency-based model. We expect that future efforts to improve upon these new capabilities will further advance non-targeted analysis of small molecules towards truly reference-free metabolomics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1989

Measuring Thermal Conductivities Of Rough Specimens

Thermal conductivity of irregularly surfaced specimen measured more accurately and reliably by use of heat-transfer adhesive establishing contact between specimen and reference standards. Method useful when specimen made up of fragments of material. Adhesive ensures good thermal contact to pieces not matching others in height. In rough-surfaced or unequally sized specimens, heat-flow pattern becomes distorted, and temperatures at measurement points do not accurately represent those throughout reference standards and specimen. Filling voids with conductive adhesive restores nearly uniform distribution heat flow.

Striepens, Aloys H.↗

DOE OSTI2022

Multi-lab study on the pure-gas permeation of commercial polysulfone (PSf) membranes: Measurement standards and best practices

Gas-separation membranes are a critical industrial component for a low-carbon and energy-efficient future. As a result, many researchers have been testing membrane materials over the past several decades. Unfortunately, almost all membrane-based testing systems are home-built, and there are no widely accepted material standards or testing protocols in the literature, making it challenging to accurately compare experimental results. Further, in this multi-lab study, ten independent laboratories collected high-pressure pure-gas permeation data for H 2 , O 2 , CH 4 , and N 2 in commercial polysulfone (PSf) films. Equipment information, testing procedures, and permeation data from all labs were collected to provide (1) accepted H 2 , O 2 , CH 4 , and N 2 permeability values at 35°C in PSf as a reference standard, (2) statistical analysis of lab-to-lab uncertainties in evaluating permeability, and (3) a list of best practices for sample preparation, equipment set-up, and permeation testing using constant-volume variable-pressure apparatuses. Results summarized in this work provide a reference standard and recommended testing protocols for pure-gas testing of membrane materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Design and feasibility of a novel program of cervical screening in Nigeria: self-sampled HPV testing paired with visual triage

Background: Accelerated global control of cervical cancer would require primary prevention with human papillomavirus (HPV) vaccination in addition to novel screening program strategies that are simple, inexpensive, and effective. We present the feasibility and outcome of a community-based HPV self-sampled screening program. Methods: In Ile Ife, Nigeria, 9406 women aged 30–49 years collected vaginal self-samples, which were tested for HPV in the local study laboratory using Hybrid Capture-2 (HC2) (Qiagen). HPV-positive women were referred to the colposcopy clinic. Gynecologist colposcopic impression dictated immediate management; biopsies were taken when definite acetowhitening was present to produce a histopathologic reference standard of precancer (and to determine final clinical management). Retrospective linkage to the medical records identified 442 of 9406 women living with HIV (WLWH). Results: With self-sampling, it was possible to screen more than 100 women per day per clinic. Following an audio-visual presentation and in-person instructions, overall acceptability of self-sampling was very high (81.2% women preferring self-sampling over clinician collection). HPV positivity was found in 17.3% of women. Intensive follow-up contributed to 85.9% attendance at the colposcopy clinic. Of those referred, 8.2% were initially treated with thermal ablation and 5.6% with large loop excision of transformation zone (LLETZ). Full visibility of the squamocolumnar junction, necessary for optimal visual triage and ablation, declined from 68.5% at age 30 to 35.4% at age 49. CIN2+ and CIN3+ (CIN- Cervical intraepithelial neoplasia), including five cancers, were identified by histology in 5.9 and 3.2% of the HPV-positive women, respectively (0.9 and 0.5% of the total screening population), leading to additional treatment as indicated. The prevalences of HPV infection and CIN2+ were substantially higher (40.5 and 2.5%, respectively) among WLWH. Colposcopic impression led to over- and under-treatment compared to the histopathology reference standard. Conclusion: A cervical cancer screening program using self-sampled HPV testing, with colposcopic immediate management of women positive for HPV, proved feasible in Nigeria. Based on the collected specimens and images, we are now evaluating the use of a combination of partial HPV typing and automated visual evaluation (AVE) of cervical images to improve the accuracy of the screening program.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Deep Learning-Enabled MS/MS Spectrum Prediction Facilitates Automated Identification Of Novel Psychoactive Substances

The market for illicit drugs has been reshaped by the emergence of more than 1100 new psychoactive substances (NPS) over the past decade, posing a major challenge to the forensic and toxicological laboratories tasked with detecting and identifying them. Tandem mass spectrometry (MS/MS) is the primary method used to screen for NPS within seized materials or biological samples. The most contemporary workflows necessitate labor-intensive and expensive MS/MS reference standards, which may not be available for recently emerged NPS on the illicit market. Here, we present NPS-MS, a deep learning method capable of accurately predicting the MS/MS spectra of known and hypothesized NPS from their chemical structures alone. NPS-MS is trained by transfer learning from a generic MS/MS prediction model on a large data set of MS/MS spectra. We show that this approach enables a more accurate identification of NPS from experimentally acquired MS/MS spectra than any existing method. We demonstrate the application of NPS-MS to identify a novel derivative of phencyclidine (PCP) within an unknown powder seized in Denmark without the use of any reference standards. We anticipate that NPS-MS will allow forensic laboratories to identify more rapidly both known and newly emerging NPS. NPS-MS is available as a web server at https://nps-ms.ca/, which provides MS/MS spectra prediction capabilities for given NPS compounds. Additionally, it offers MS/MS spectra identification against a vast database comprising approximately 8.7 million predicted NPS compounds from DarkNPS and 24.5 million predicted ESI-QToF-MS/MS spectra for these compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

PIE-Enabled Study of Aqueous Corrosion & Zr Hydriding in Cr-Coated Cladding: M3GV-23PN0101132

Chromium-coated zirconium alloy cladding is under investigation as an accident-tolerant fuel (ATF) concept to extend performance to higher burnups via improved oxidation resistance and reduced hydrogen pickup. However, hydrothermal corrosion behavior and hydrogen transport mechanisms governing in-service hydriding of these coatings remain poorly understood. In a collaborative study between Pacific Northwest National Laboratory (PNNL), Idaho National Laboratory (INL), and the University of Huddersfield, cold spray (CS) and physical vapor deposition (PVD) Cr-coated Optimized ZIRLO™ cladding samples were characterized after exposure to PWR-simulated water chemistry under both in-core (neutron irradiation) and out-of-core (aqueous-only) conditions at the MIT Research Reactor. Multi-scale characterization was performed independently at PNNL and INL to evaluate coating integrity, microstructural evolution, Cr/Zr interface chemistry, and hydride formation. Both laboratories observed a consistent divergence in hydriding behavior: out-of-core CS Cr-coated cladding exhibited elevated hydride concentrations exceeding those of uncoated cladding, whereas in-core CS samples showed substantially suppressed hydriding. In-core specimens also displayed irradiation-specific features, including nanoscale voids within the Cr coating and radiation-induced segregation clusters in the Zr substrate. CS coatings retained an interdiffusion-free Cr/Zr bond with no intermetallic layer, whereas PVD coatings exhibited inferior quality with visible cracks and pores. An automated image-based hydride quantification method systematically overestimated bulk hydrogen content relative to inert gas fusion measurements, underscoring the need for standardized sample preparation and reference standards. Interpretation of hydride nucleation and growth is complicated by the open inner-diameter of the specimens, which provides additional hydrogen pathways. The results motivate further foundational studies to support predictive models of hydrothermal corrosion and hydrogen transport in unirradiated and irradiated Cr-coated cladding.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1981

The operational performance of hydrogen masers in the deep space network: The performance of laboratory reference frequency standards in an operational environment

Hydrogen masers used as aids in meeting the routine frequency and time operational requirements within the 64 m antenna Deep Space Network. Both the operational syntonation (frequency synchronization) and the the clock (epoch) synchronization requirements were established through the use of specifically calibrated H-P E215061A flying clock. The sync/synt to UTC was maintained using LORAN and TV in simultaneous reception mode. The sync/synt within the 64 m net was maintained through the use of very long base interferometry. Results indicate that the hydrogen masers perform well within the required specifications.

Ward, S. C.↗

NASA NTRS1977

Standard wool fabric as a reference material

Standard wool fabric is investigated as a potential reference material. A screening test method for relative toxicity exposes four albino male rats enclosed in a 4.2 liter hemispherical chamber to pyrolysis effluents produced by pyrolyzing a 1.00 g sample under a variety of test conditions (200-800 C with a 40 C/min heating rate). It is found that for fabrics containing 86-100% wool, animal response remains virtually unchanged, although a 100% wool fabric is preferred as it eliminates local composition differences as a source of variation.

Hilado, C. J.↗

NASA NTRS2017

On the Execution Control of HLA Federations using the SISO Space Reference FOM

In the Space domain the High Level Architecture (HLA) is one of the reference standard for Distributed Simulation. However, for the different organizations involved in the Space domain (e.g. NASA, ESA, Roscosmos, and JAXA) and their industrial partners, it is difficult to implement HLA simulators (called Federates) able to interact and interoperate in the context of a distributed HLA simulation (called Federation). The lack of a common FOM (Federation Object Model) for the Space domain is one of the main reasons that precludes a-priori interoperability between heterogeneous federates. To fill this lack a Product Development Group (PDG) has been recently activated in the Simulation Interoperability Standards Organization (SISO) with the aim to provide a Space Reference FOM (SRFOM) for international collaboration on Space systems simulations. Members of the PDG come from several countries and contribute experiences from projects within NASA, ESA and other organizations. Participants represent government, academia and industry. The paper presents an overview of the ongoing Space Reference FOM standardization initiative by focusing on the solution provided for managing the execution of an SRFOM-based Federation.

Moller, Bjorn↗

NASA NTRS1979

Results of the 1978 NASA/JPL balloon flight solar cell calibration program

The 1978 scheduled solar cell calibration balloon flight was successfully completed. Thirty six modules were carried to an altitude of above 36 kilometers. Recovery of telemetry and flight packages was without incident. These calibrated standard cells are used as reference standards in simulator testing of cells and arrays with similar spectral response characteristics. The factors affecting the spectral transmission of the atmosphere at various altitudes are summarized.

Seaman, C. H.↗

NASA NTRS1985

A Proposed International Tropical Reference Atmosphere up to 80 Km

Based upon previous standard reference atmosphere, which are usually inspired by temperature regions, a proposal is made for an International Tropical Reference Atmosphere (ITRA). It is a modification of the Indian Standard Tropical Atmosphere (ISIA). The data at the available longitudinal stations in the tropics was considered in formulating the present proposal. Balloonsonde, rocketsonde, and grenade and falling sphere data was used in developing the temperature data bse fromt he stratosphere, troposphere and mesosphere. Temperature distribution and mean sea level pressures up to 80 km altitudes is discussed.

Ananthasayanam, M. R.↗

DOE OSTI2022

Linear relationships for modeling CO 2 absorption in aqueous alkanolamine solutions in a thermodynamically consistent way

A thermodynamically consistent model for the carbon dioxide (CO 2 ) absorption in aqueous alkanolamine system is of great importance in the research and development of a CO 2 capture process. To facilitate the development of thermodynamic models, linear Gibbs free energy, enthalpy, and heat capacity relationships using well-known amines as reference are used to correlate the standard reference state properties of ionic species with those of molecular species in the electrolyte system, which has been approved to provide a reliable and consistent way to estimate required parameters when there is minimal or no appropriate experimental data available. Here, the proposed relationships have been applied to the development of an electrolyte nonrandom two liquid (NRTL) activity coefficient model for CO 2 absorption in aqueous 1-amino-2-propanol (A2P) solution, as an example to demonstration the methodology. With limited vapor–liquid equilibrium data and other thermodynamic properties, the parameters in the electrolyte NRTL model are identified with good accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1978

Ion chromatographic determination of sulfur in fuels

The sulfur content of fuels was determined using an ion chromatograph to measure the sulfate produced by a modified Parr bomb oxidation. Standard Reference Materials from the National Bureau of Standards, of approximately 0.2 + or - 0.004% sulfur, were analyzed resulting in a standard deviation no greater than 0.008. The ion chromatographic method can be applied to conventional fuels as well as shale-oil derived fuels. Other acid forming elements, such as fluorine, chlorine and nitrogen could be determined at the same time, provided that these elements have reached a suitable ionic state during the oxidation of the fuel.

Mizisin, C. S.↗

DOE OSTI2022

Production of Xenon-135 from isotopically enriched Xenon-134 and Xenon-136 Targets

Atmospheric radioxenon analyses conducted under the Comprehensive Test Ban Treaty Organization (CTBTO) necessitates the collection and analysis of air samples to quantify 135Xe, an indicator for nuclear explosions and reactor operations. Analytical instrument calibration for these analyses requires high quality, monoisotopic reference standards that are typically short lived, and therefore must be produced and shipped promptly to monitoring stations worldwide. This work describes the preparation of 135Xe by neutron capture (n, ?) on monoisotopic 134Xe, neutron irradiation (n,2n) on monoisotopic 136Xe, and high energy photon irradiation (?, n) on monoisotopic 136Xe. The targets are prepared by electromagnetic isotope separation of natural xenon. Results from each process are compared for 135Xe yield and purity.

07 ISOTOPE AND RADIATION SOURCES↗

NASA NTRS2008

X-ray Fluorescence Spectroscopy Study of Coating Thickness and Base Metal Composition

For electrical, electronic, and electromechanical (EEE) parts to be approved for space use, they must be able to meet safety standards approved by NASA. A fast, reliable, and precise method is needed to make sure these standards are met. Many EEE parts are coated in gold (Au) and nickel (Ni), and the thickness coating is crucial to a part s performance. A nondestructive method that is efficient in measuring coating thickness is x-ray fluorescence (XRF) spectroscopy. The XRF spectrometer is a machine designed to measure layer thickness and composition of single or multilayered samples. By understanding the limitations in the collection of the data by this method, accurate composition and thickness measurements can be obtained for samples with Au and Ni coatings. To understand the limitations of data found, measurements were taken with the XRF spectrometer and compared to true values of standard reference materials (SRM) that were National Institute of Standards and Technology (NIST) traceable. For every sample, six different parameters were varied to understand measurement error: coating/substrate combination, number of layers, counting interval, collimator size, coating thickness, and test area location. Each measurement was taken in accordance with standards set by the American Society for Testing and Materials (ASTM) International Standard B 568.

Rolin, T. D.↗

DOE OSTI2025

X-ray diffraction characterization of magnetostriction in Terfenol-D

The magnetostrictive response of a Terfenol-D pellet was measured via a laboratory-based X-ray diffractometer. X-ray diffraction patterns were collected from the pellet sample with and without the presence of an applied magnetic field (~30 mT) generated by placing a large magnet under the pellet. A standard reference material, Silicon 640c, was employed as an internal standard. Magnetostriction values of 323 and 227 ppm Δl/l were determined for the (104) and (110) indexed peaks, respectively, assuming a rhombohedral structure for Terfenol-D. A threshold noise level value of ~20 to 30 ppm Δl/l was suggested based on before/after measurements in the absence of the applied field. No clear evidence of domain wall rotation was detected via changes in relative intensities of diffraction peaks in the presence of the applied magnetic field.

Magnetostriction↗