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All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Unusual Nonterrestrial L-proteinogenic Amino Acid excesses in the Tagish Lake Meteorite

The distribution and isotopic and enantiomeric compositions of amino acids found in three distinct fragments of the Tagish Lake C2-type carbonaceous chondrite were investigated via liquid chromatography with fluorescence detection and time-of-flight mass spectrometry and gas chromatography isotope ratio mass spectrometry. Large L-enantiomeric excesses (L(sub ee) approximately 43-59%) of the alpha-hydrogen aspartic and glutamic amino acids were measured in Tagish Lake, whereas alanine, another alpha hydrogen protein amino acid, was found to be nearly racemic (D much approximately L) using both techniques. Carbon isotope measurements of D- and L-aspartic acid and 1)- and L-alanine in Tagish Lake fall well outside of the terrestrial range and indicate that the measured aspartic acid enantioenrichment is indigenous to the meteorite. Alternate explanations for the L-excesses of aspartic acid such as interference from other compounds present in the sample, analytical biases, or terrestrial amino acid contamination were investigated and rejected. These results can be explained by differences in the solid-solution phase behavior of aspartic acid, which can form conglomerate enantiopure solids during crystallization, and alanine, which can only form racemic crystals. Amplification of a small initial L-enantiomer excess during aqueous alteration on the meteorite parent body could have led to the large L-enrichments observed for aspartic acid and other conglomerate amino acids in Tagish Lake. The detection of non terrestrial L-proteinogenic amino acid excesses in the Tagish Lake meteorite provides support for the hypothesis that significant enantiomeric enrichments for some amino acids could form by abiotic processes prior to the emergence of life.

Glavin, Daniel P.↗
NASA NTRS2012

Spectroscopic Chemical Analysis Methods and Apparatus

This invention relates to non-contact spectroscopic methods and apparatus for performing chemical analysis and the ideal wavelengths and sources needed for this analysis. It employs deep ultraviolet (200- to 300-nm spectral range) electron-beam-pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor lightemitting devices, and hollow cathode metal ion lasers. Three achieved goals for this innovation are to reduce the size (under 20 L), reduce the weight [under 100 lb (.45 kg)], and reduce the power consumption (under 100 W). This method can be used in microscope or macroscope to provide measurement of Raman and/or native fluorescence emission spectra either by point-by-point measurement, or by global imaging of emissions within specific ultraviolet spectral bands. In other embodiments, the method can be used in analytical instruments such as capillary electrophoresis, capillary electro-chromatography, high-performance liquid chromatography, flow cytometry, and related instruments for detection and identification of unknown analytes using a combination of native fluorescence and/or Raman spectroscopic methods. This design provides an electron-beampumped semiconductor radiation-producing method, or source, that can emit at a wavelength (or wavelengths) below 300 nm, e.g. in the deep ultraviolet between about 200 and 300 nm, and more preferably less than 260 nm. In some variations, the method is to produce incoherent radiation, while in other implementations it produces laser radiation. In some variations, this object is achieved by using an AlGaN emission medium, while in other implementations a diamond emission medium may be used. This instrument irradiates a sample with deep UV radiation, and then uses an improved filter for separating wavelengths to be detected. This provides a multi-stage analysis of the sample. To avoid the difficulties related to producing deep UV semiconductor sources, a pumping approach has been developed that uses ballistic electron beam injection directly into the active region of a wide bandgap semiconductor material.

Hug, William F.↗
NASA NTRS2013

Extraterrestrial Amino Acids Identified in Metal-Rich CH and CB Carbonaceous Chondrites from Antarctica

Carbonaceous chondrites contain numerous indigenous organic compounds and could have been an important source of prebiotic compounds required for the origin of life on Earth or elsewhere. Extraterrestrial amino acids have been reported in five of the eight groups of carbonaceous chondrites and are most abundant in CI, CM, and CR chondritesbut are also present in the more thermally altered CV and CO chondrites. We report the abundance, distribution, and enantiomeric and isotopic compositions of simple primary amino acids in six metal-rich CH and CB carbonaceous chondrites that have not previously been investigated for amino acids: Allan Hills (ALH) 85085 (CH3), Pecora Escarpment(PCA) 91467 (CH3), Patuxent Range (PAT) 91546 (CH3), MacAlpine Hills (MAC) 02675(CBb), Miller Range (MIL) 05082 (CB), and Miller Range (MIL) 07411 (CB). Amino acid abundances and carbon isotopic values were obtained by using both liquid chromatography time-of-flight mass spectrometry and fluorescence, and gas chromatography isotope ratiomass spectrometry. The (delta D, delta C-13, delta N-15) ratios of multiple amino acids fall outside of the terrestrial range and support their extraterrestrial origin. Extracts of CH chondrites were found to be particularly rich in amino acids (1316 parts per million, ppm) while CB chondrite extracts had much lower abundances (0.22 ppm). The amino acid distributions of the CH and CB chondrites were distinct from the distributions observed in type 2 and 3 CM and CR chondrites and contained elevated levels of beta-, gamma-, and delta-amino acids compared to the corresponding alpha-amino acids, providing evidence that multiple amino acid formation mechanisms were important in CH and CB chondrites.

Burton, Aaron S.↗
NASA NTRS2014

Methods for Purifying Enzymes for Mycoremediation

A process for purifying laccase from an ectomycorrhizal fruiting body is disclosed. The process includes steps of homogenization, sonication, centrifugation, filtration, affinity chromatography, ion exchange chromatography, and gel filtration. Purified laccase can also be separated into isomers.

Cullings, Kenneth W.↗
NASA NTRS2015

Analysis of Chiral Carboxylic Acids in Meteorites

Homochirality of amino acids in proteins and sugars in DNA and RNA is a critical feature of life on Earth. In the absence of a chiral driving force, however, reactions leading to the synthesis of amino acids and sugars result in racemic mixtures. It is currently unknown whether homochirality was necessary for the origins of life or if it was a product of early life. The observation of enantiomeric excesses of certain amino acids of extraterrestrial origins in meteorites provides evidence to support the hypothesis that there was a mechanism for the preferential synthesis or destruction of a particular amino acid enantiomer [e.g., 1-3]. The cause of the observed chiral excesses is un-clear, although at least in the case of the amino acid isovaline, the degree of aqueous alteration that occurred on the meteorite parent body is correlated to the isovaline L-enantiomeric excess [3, 4]. This suggests that chiral symmetry is broken and/or amplified within the meteorite parent bodies. Besides amino acids, there have been only a few reports of other meteoritic compounds found in enantiomeric excess: sugars and sugar acids [5, 6] and the hydroxy acid lactic acid [7]. Determining whether or not additional types of molecules in meteorites are also present in enantiomeric excesses of extraterrestrial information will provide insights into mechanisms for breaking chiral symmetry. Though the previous measurements (e.g., enantiomeric composition of lactic acid [7], and chiral carboxylic acids [8]) were made by gas chromatography-mass spectrometry, the potential for increased sensitivity of liquid chromatography-mass spectrometry (LC-MS) analyses is important because for many meteorite samples, only small sample masses are available for study. Furthermore, at least in the case of amino acids, many of the largest amino acid enantiomeric excesses were observed in samples that contained lower abundances (tens of ppb) of a given amino acid enantiomer. In the present work, we describe our efforts to develop highly sensitive LC-MS methods for the analysis of chiral carboxylic acids including hydroxy acids.

Burton, A. S.↗
NASA NTRS2016

Xeropreservation of Functionalized Lipid Biomarkers in Hyperarid Soils in the Atacama Desert

Our understanding of long-term organic matter preservation comes mostly from studies in aquatic systems. In contrast, taphonomic processes in extremely dry environments are relatively understudied and are poorly understood. We investigated the accumulation and preservation of lipid biomarkers in hyperarid soils in the Yungay region of the Atacama Desert. Lipids from seven soil horizons in a 2.5 meter vertical profile were extracted and analyzed using GC-MS ( Gas Chromatography-Mass Spectrometry) and LC-MS (Liquid Chromatography-Mass Spectrometry). Diagnostic functionalized lipids and geolipids were detected and increased in abundance and diversity with depth. Deeper clay units contain fossil organic matter (radiocarbon dead) that has been protected from rainwater since the onset of hyperaridity. We show that these clay units contain lipids in an excellent state of structural preservation with functional groups and unsaturated bonds in carbon chains. This indicates that minimal degradation of lipids has occurred in these soils since the time of their deposition between more than 40,000 and up to 2 million years ago. The exceptional structural preservation of biomarkers is likely due to the long-term hyperaridity that has minimized microbial and enzymatic activity, a taphonomic process we term xeropreservation (i.e. preservation by drying). The degree of biomarker preservation allowed us to reconstruct major changes in ecology in the Yungay region that reflect a shift in hydrological regime from wet to dry since the early Quaternary. Our results suggest that hyperarid environments, which comprise 7.5 percent of the continental landmass, could represent a rich and relatively unexplored source of paleobiological information on Earth.

Xeropreservation↗
NASA NTRSDate not supplied

INCORPORATION OF NITROGEN INTO ORGANICS PRODUCED BY FISCHER-TROPSCH TYPE CHEMISTRY

Laboratory simulations have demonstrated that hydrothermal systems have the potential to produce a range of organic compounds through Fischer-Tropsch type (FTT) chemistry. The distribution of products depends on several factors, including the abundance and composition of feedstock molecules, reaction temperature, and the physical and chemical characteristics of catalytic materials included in the reactions. The majority of studies per-formed to date have focused solely on inclusion of CO2 or CO and H2 as the carbon, oxygen and hydrogen sources, which limits the possible products to hydrocarbons, alcohols and carboxylic acids. A few studies have included nitrogen in the form of ammonia, which led to the production of amino acids and nitrogenous bases. Although these demonstrations provide compelling evidence that FTT reactions can produce compounds of interest for the origins of life, such reactions have been conducted under a very limited range of conditions and the synthetic reaction mechanisms have generally not been well-characterized. We have begun a series of laboratory experiments that will incorporate a range of precursor molecules in varying compositions to determine how these variables affect the relative amounts and speciation of life-essential elements in organic molecules produced under FTT conditions. In the present work, we focus on systems containing C, H, O and N. Reaction mixtures contained CO (~60-80 mM), 150 mM ammonium chloride, and water with a native iron catalyst, which also served as a source of H2 through the reduction of water. Three initial experiments were conducted at 110, 154 and 185 °C and heated for several days. Following the reaction, samples were analyzed by gas chromatography-mass spectrometry, direct analysis in real time mass spectrometry and liquid chromatography-mass spectrometry.

A. S. Burton↗
NASA NTRSDate not supplied

Soluble Organic Matter (SOM) analysis of the Hayabusa2 samples: The first results

The Hayabusa2 spacecraft successfully collected the surface and possible sub-surface materials of the asteroid 162173 Ryugu. Ryugu is a C-type asteroid characterized by a low-albedo surface probably consisting of hydrous minerals and carbonaceous materials. [1] The direct optical and spectral analysis of the returned samples indicates that Ryugu material is dominated by hydrous carbonaceous chondrite-like matter (similar to CI chondrites) [2]. Since carbonaceous chondrites have generally yielded various types of organic matter, the collected Ryugu grains are expected to contain diverse types of organic compounds including bio-related molecules. The occurrence of organic compounds in the Ryugu surface will provide clues to the evolution of prebiotic molecules and their preservations associated with aqueous alteration of the primitive asteroid. The initial analysis of soluble organic matter (SOM) of the Hayabusa2-returned samples has been performed by an international team consisting of 32 members. Because the sample amount available for comprehensive SOM analyses is limited, and because the SOM is expected to be present as a complex mixture of various types of organic compounds with very small concentrations of each compound, high-sensitivity and high-resolution analytical techniques have been developed using carbonaceous meteorites [e.g. 3]. Two aggregate samples of the Ryugu grains (A106 and C107) were allocated for the solvent extractions and bulk carbon (C), hydrogen (H), nitrogen (N), sulfur (S) and oxygen (O) measurements. The A106 sample was collected during the 1st sampling in February 2019 and the C107 sample was collected during the 2nd sampling in July 2019 after the Small Carry Impactor (SCI) operation. They consist mainly of particles smaller than 1 mm in diameter, and each sample mass was 38-39 mg. They were firstly investigated spectroscopically in the near infrared wavelength range by the Stone Team prior to the solvent extractions. Other small grains (A0080 and C0057) were also allocated for this study to investigate the spatial distribution of organic compounds on the sample surface. The extraction and analytical measurements implemented by the SOM Team are summarized in Figure 1. Each powder sample was extracted sequentially with non-polar to polar solvents, i.e., hexane, dichloromethane (DCM), methanol (MeOH) and H2O, for non-targeted analysis to reveal the compound composition. Each solvent extract was analyzed by solution state nuclear magnetic resonance (NMR) spectroscopy [4], Fourier transform- ion cyclotron resonance/mass spectrometry (FT-ICR/MS) with ESI and APPI ionization [5] and by high-resolution mass spectroscopy using Orbitrap MS coupled with nano-liquid chromatography (nanoLC/Orbitrap MS) [6], and using two dimensional gas chromatography/mass spectrometry (GC×GC/MS). The extracted residues were passed to the Chemistry Team for further inorganic element analysis. The other powder sample was subjected to the hot water extraction for amino acid analyses including chiral isomer separation, which was performed by three-dimensional (3D) high-performance liquid chromatography (HPLC) with high-sensitivity fluorescence detection (FD) [7] and by HPLC/FD coupled with quadrupole-time of flight/mass spectrometry (QToF/MS) [8]. After the hot water extraction, the residue was split into two halves. One half was further extracted with hydrochloric acid (HCl) to analyze for amino acids in bound-form. The other half was sequentially extracted with DCM/MeOH (1/1) to analyze semi-polar compounds such as polycyclic aromatic hydrocarbons (PAHs) by GC/MS, followed by further extraction with formic acid to analyze polar heterocyclic compounds, and subsequent extraction with HCl to detect bound-form polar compounds. The extracted residues were passed to the IOM Team for the analysis of insoluble organic matter (IOM). Compound-specific stable isotope analyses will be performed using GC/combustion/isotope ratio mass spectrometry (GC/C/IRMS) if the compound concentration is high enough to enable such an isotopic measurement. All extraction procedures were performed on an ISO 6 (Class 100) clean bench inside an ISO 5 (Class 1000) clean room. Baked serpentine powder was also analyzed as a procedural blank. In situ organic compound analysis with the molecular imaging was performed using desorption electrospray ionization (DESI) equipped with Orbitrap MS [9, 10], followed by spatial imaging of organic compounds using ToF/secondary ion mass spectrometry (ToF/SIMS) [11]. The bulk chemical and isotopic compositions of CNS and HO were determined using nano-elemental analysis/isotope ratio mass spectrometry (nanoEA/IRMS) [12] and EA/pyrolysis/IRMS, respectively. We have identified a variety of indigenous organic compounds in the extracts of both A106 and C107 samples. The Ryugu grains host organic molecules under the high-vacuum and cosmic-ray irradiation environment of the asteroid surface. The analysis of extracted molecules is in progress, and the first results will be presented at the symposium.

Hiroshi Naraoka↗
NASA NTRSDate not supplied

The Spacecraft Water Impurity Monitor, a Framework for the Next Generation Complete Water Analysis System for Crewed Vehicles Beyond the ISS

The Spacecraft Water Impurity Monitor (SWIM) is a joint collaboration to develop an instrument platform that will perform in-flight measurements and deliver a more complete picture of water quality to decision makers. Eventually, missions to the moon, Mars, and beyond will be equipped with analytical capabilities equaling those found in terrestrial labs. Based on what we know about current and future spacecraft environments, SWIM will seek to provide enhanced analytical capability that enables NASA to confidently send astronauts on distant missions without the possibility of returned water samples. This paper discusses the challenges presented by exploration requirements and the research and development progress toward the goal of a total water analysis system. For organic analysis, one of the analysis technologies that the SWIM team have been developing is a liquid-injection gas chromatograph mass spectrometer system; these systems are the workhorses of analytical chemistry laboratories world-wide. For inorganic analysis, the team is exploring a number of technologies ranging from traditional liquid chromatography technologies (e.g. ion chromatography, capillary electrophoresis) to flight-heritage technology such as ion-specific electrodes.

water monitoring↗
NASA NTRSDate not supplied

Progress on the Organic and Inorganic Modules of the Spacecraft Water Impurity Monitor, a Next Generation Complete Water Analysis System for Crewed Vehicles

The Spacecraft Water Impurity Monitor (SWIM) is a joint collaboration to develop an instrument platform that will perform in-flight measurements and deliver a more complete picture of water quality to decision makers. For exploration missions, returned water samples will not be an option, so spacecraft and habitats will need to be equipped with advanced water monitoring capabilities. Eventually, missions to the moon, Mars, and beyond should be equipped with analytical capabilities roughly analogous to those found in terrestrial labs. Based on what we know about current and future spacecraft environments, SWIM will seek to provide enhanced analytical capability that enables NASA to confidently send astronauts on distant missions without the possibility of returned water samples. The SWIM architecture can be broken down in an Organic Water Module (OWM) and an Inorganic Water Module (IWM), independent of each other but can be flown together if desired; an integrated system may share some commonality, e.g., single sample injection, sampling consumables, waste, etc. Each of these main modules can be broken down further into separation (if required) and detection modules. And, each separation module can be paired with one or more detection module depending on mission, spacecraft, customer needs, and size/mass/power constraints. This paper discusses the research and development progress toward the goal of a total water analysis system. For OWM, one of the analysis technologies that the SWIM team have been developing is a liquid-injection gas chromatograph mass spectrometer system; these systems are the workhorses of analytical chemistry laboratories world-wide. For IWM, the team is exploring a number of technologies ranging from traditional liquid chromatography technologies (e.g. ion chromatography, capillary electrophoresis) to flight-heritage technology such as ion-specific electrodes.

Stuart J Pensinger↗
NASA NTRSDate not supplied

Progress on the Organic and Inorganic Modules of the Spacecraft Water Impurity Monitor, a Next Generation Complete Water Analysis System for Crewed Vehicles

The Spacecraft Water Impurity Monitor (SWIM) is a joint collaboration to develop an instrument platform that will perform in-flight measurements and deliver a more complete picture of water quality to decision makers. For exploration missions, returned water samples will not be an option, so spacecraft and habitats will need to be equipped with advanced water monitoring capabilities. Eventually, missions to the moon, Mars, and beyond should be equipped with analytical capabilities roughly analogous to those found in terrestrial labs. Based on what we know about current and future spacecraft environments, SWIM will seek to provide enhanced analytical capability that enables NASA to confidently send astronauts on distant missions without the possibility of returned water samples. The SWIM architecture can be broken down in an Organic Water Module (OWM) and an Inorganic Water Module (IWM), independent of each other but can be flown together if desired; an integrated system may share some commonality, e.g., single sample injection, sampling consumables, waste, etc. Each of these main modules can be broken down further into separation (if required) and detection modules. And, each separation module can be paired with one or more detection module depending on mission, spacecraft, customer needs, and size/mass/power constraints. This paper discusses the research and development progress toward the goal of a total water analysis system. For OWM, one of the analysis technologies that the SWIM team have been developing is a liquid-injection gas chromatograph mass spectrometer system; these systems are the workhorses of analytical chemistry laboratories world-wide. For IWM, the team is exploring a number of technologies ranging from traditional liquid chromatography technologies (e.g. ion chromatography, capillary electrophoresis) to flight-heritage technology such as ion-specific electrodes.

Stuart J. Pensinger↗
NASA NTRS2023

Progress on the Organic and Inorganic Modules of the Spacecraft Water Impurity Monitor, a Next Generation Complete Water Analysis System for Crewed Vehicles

The Spacecraft Water Impurity Monitor (SWIM) is a joint collaboration to develop an instrument platform that will perform in-flight measurements and deliver a more complete picture of water quality to decision makers. For exploration missions, returned water samples will not be an option, so spacecraft and habitats will need to be equipped with advanced water monitoring capabilities. Eventually, missions to the moon, Mars, and beyond should be equipped with analytical capabilities roughly analogous to those found in terrestrial labs. Based on what we know about current and future spacecraft environments, SWIM will seek to provide enhanced analytical capability that enables NASA to confidently send astronauts on distant missions without the possibility of returned water samples. The SWIM architecture can be broken down in an Organic Water Module (OWM) and an Inorganic Water Module (IWM), independent of each other but can be flown together if desired; an integrated system may share some commonality, e.g., single sample injection, sampling consumables, waste, etc. Each of these main modules can be broken down further into separation (if required) and detection modules. And, each separation module can be paired with one or more detection module depending on mission, spacecraft, customer needs, and size/mass/power constraints. This paper discusses the research and development progress toward the goal of a total water analysis system. For OWM, one of the analysis technologies that the SWIM team have been developing is a liquid-injection gas chromatograph mass spectrometer system; these systems are the workhorses of analytical chemistry laboratories world-wide. For IWM, the team is exploring a number of technologies ranging from traditional liquid chromatography technologies (e.g. ion chromatography, capillary electrophoresis) to flight-heritage technology such as ion-specific electrodes.

Stuart J Pensinger↗
NASA NTRS2023

Progress on the Organic and Inorganic Modules of the Spacecraft Water Impurity Monitor, a Next Generation Complete Water Analysis System for Crewed Vehicles

The Spacecraft Water Impurity Monitor (SWIM) is a joint collaboration to develop an instrument platform that will perform in-flight measurements and deliver a more complete picture of water quality to decision makers. For exploration missions, returned water samples will not be an option, so spacecraft and habitats will need to be equipped with advanced water monitoring capabilities. Eventually, missions to the moon, Mars, and beyond should be equipped with analytical capabilities roughly analogous to those found in terrestrial labs. Based on what we know about current and future spacecraft environments, SWIM will seek to provide enhanced analytical capability that enables NASA to confidently send astronauts on distant missions without the possibility of returned water samples. The SWIM architecture can be broken down in an Organic Water Module (OWM) and an Inorganic Water Module (IWM), independent of each other but can be flown together if desired; an integrated system may share some commonality, e.g., single sample injection, sampling consumables, waste, etc. Each of these main modules can be broken down further into separation (if required) and detection modules. And, each separation module can be paired with one or more detection module depending on mission, spacecraft, customer needs, and size/mass/power constraints. This paper discusses the research and development progress toward the goal of a total water analysis system. For OWM, one of the analysis technologies that the SWIM team have been developing is a liquid-injection gas chromatograph mass spectrometer system; these systems are the workhorses of analytical chemistry laboratories world-wide. For IWM, the team is exploring a number of technologies ranging from traditional liquid chromatography technologies (e.g. ion chromatography, capillary electrophoresis) to flight-heritage technology such as ion-specific electrodes.

Stuart Pensinger↗
DOE OSTI2026

Understanding Isomeric Effects on Properties of Aviation Fuels via a Group Contribution Method: Preprint

The molecular composition of aviation fuels, including conventional and sustainable aviation fuels (SAFs), significantly influences their performance, safety, and environmental impact. This study examines the effect of isomeric variation for compounds with the same carbon number and chemical family on key fuel properties, focusing on compounds commonly found in conventional jet fuels and SAFs. A group contribution method (GCM) is employed to predict thermophysical and combustion properties, providing an efficient analytical approach to evaluate the contributions of individual compounds to overall fuel mixture behavior. As part of this work, we introduce FuelLib, an open-source Python tool built around the GCM, to calculate individual compound and fuel mixture properties using various mixing rules. Our work evaluates whether the GCM can capture isomeric effects, that are often overlooked in traditional fuel property estimation. This is particularly important for SAFs, which often are composed of a more limited set of compound classes than conventional fuels, making isomeric differences more critical. Two-dimensional gas chromatography (GCxGC) data, which can be obtained from small fuel samples, provides weight percentages of compounds grouped by chemical family and carbon number rather than detailed information about individual compounds. As a result, assumptions must be made when decomposing GCxGC data into functional groups for GCM applications. Using GCxGC data, we show that the FuelLib tool can be used to predict the fuel properties of conventional jet fuels, with validation against experimental data. The provided tool enables researchers to predict fuel properties of candidate fuels and supports the design of new SAFs at both the component and mixture levels. This capability provides a foundation for studying fuel and combustion properties during SAF development, reducing reliance on costly experimental methods and advancing progress toward certification of new SAFs.The molecular composition of aviation fuels, including conventional and sustainable aviation fuels (SAFs), significantly influences their performance, safety, and environmental impact. This study examines the effect of isomeric variation for compounds with the same carbon number and chemical family on key fuel properties, focusing on compounds commonly found in conventional jet fuels and SAFs. A group contribution method (GCM) is employed to predict thermophysical and combustion properties, providing an efficient analytical approach to evaluate the contributions of individual compounds to overall fuel mixture behavior. As part of this work, we introduce FuelLib, an open-source Python tool built around the GCM, to calculate individual compound and fuel mixture properties using various mixing rules. Our work evaluates whether the GCM can capture isomeric effects, that are often overlooked in traditional fuel property estimation. This is particularly important for SAFs, which often are composed of a more limited set of compound classes than conventional fuels, making isomeric differences more critical. Two-dimensional gas chromatography (GCxGC) data, which can be obtained from small fuel samples, provides weight percentages of compounds grouped by chemical family and carbon number rather than detailed information about individual compounds. As a result, assumptions must be made when decomposing GCxGC data into functional groups for GCM applications. Using GCxGC data, we show that the FuelLib tool can be used to predict the fuel properties of conventional jet fuels, with validation against experimental data. The provided tool enables researchers to predict fuel properties of candidate fuels and supports the design of new SAFs at both the component and mixture levels. This capability provides a foundation for studying fuel and combustion properties during SAF development, reducing reliance on costly experimental methods and advancing progress toward certification of new SAFs.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1991

Purification and properties of a dissimilatory nitrate reductase from Haloferax denitrificans

A membrane-bound nitrate reductase (nitrite:(acceptor) oxidoreductase, EC 1.7.99.4) from the extremely halophilic bacterium Haloferax denitrificans was solubilized by incubating membranes in buffer lacking NaCl and purified by DEAE, hydroxylapatite, and Sepharose 6B gel filtration chromatography. The purified nitrate reductase reduced chlorate and was inhibited by azide and cyanide. Preincubating the enzyme with cyanide increased the extent of inhibition which in turn was intensified when dithionite was present. Although cyanide was a noncompetitive inhibitor with respect to nitrate, nitrate protected against inhibition. The enzyme, as isolated, was composed of two subunits (Mr 116,000 and 60,000) and behaved as a dimer during gel filtration (Mr 380,000). Unlike other halobacterial enzymes, this nitrate reductase was most active, as well as stable, in the absence of salt.

Halobacteriaceae/enzymology↗
NASA NTRS1992

An assay for intermolecular exchange of alpha crystallin

An affinity column of alpha crystallin linked to cyanogen bromide-activated Sepharose was developed to study the exchange of alpha subunits. Alpha crystallin bound to the Sepharose-alpha complex was dissociated with 8 mol/l urea, followed by quantitation using high-performance reverse-phase liquid chromatography. The time course of binding at 37 degrees C showed a hyperbolic binding pattern reaching equilibrium between 6-18 hr. Under these conditions, binding of beta and gamma crystallins to the same matrix was less than 10% of the alpha values, as was binding of alpha to glycine-coupled Sepharose. This assay was used to demonstrate changes in the subunit exchange of alpha crystallins present in high molecular weight versus lower molecular weight aggregates of the human lens. These results show that this binding procedure was a specific reproducible assay that might be used to study intermolecular interactions of the alpha crystallins.

NASA Discipline Cell Biology↗
DOE OSTI2026

Ra-226 extraction and purification from simulated uranium tailings

Growing demand for Ac-225 has outstripped current production, increasing interest in alternative production routes. Furthermore, these often rely on irradiations of Ra-226, yet Ra-226 supplies are also limited. Uranium tailings provide an abundant source of Ra-226, though separation from these complex matrices remains challenging. A laboratory-scale process was developed to recover Ra-226 from simulated U-tailings. After acid leaching, Ra remained adsorbed on refractory oxides and silicates. An additional CaCl₂ leach of the residue raised recovery to ~ 64%. Subsequent purifications, including precipitation, ion-exchange, and extraction chromatography (TK101), achieved chemical yields up to 73 ± 7%, producing 7.68 ± 0.1 µCi of high-purity Ra-226.

and nuclear chemistry↗
DOE OSTI2026

Fluorinated ionic liquids as gas chromatographic stationary phases for the separation of volatile per- and polyfluoroalkyl substances

Background Here, the production of fluorinated organic compounds in the manufacturing, semiconductor, and pharmaceutical industries has increased exponentially over the past decade. This rapid growth has created an urgent need for efficient chromatographic platforms capable of selectively separating these compounds from complex mixtures, not only to support industrial quality control and waste management practices, but also to enable reliable environmental monitoring of volatile fluorinated contaminants. Conventional GC stationary phases lack the fluorophilic interactions needed for highly fluorinated analytes. Consequently, there is a clear demand for specialized stationary phases designed to improve chromatographic retention and selectivity for these compounds. Results Three stationary phases composed of fluorinated ionic liquids (ILs) with varied extent of fluorination were prepared to study fluorophilic interactions with fluorinated/non-fluorinated probe molecules by gas chromatography (GC). IL stationary phases featuring linear and branched perfluoroalkyl moieties, as well as a branched alkyl moiety, were systematically investigated. Chromatographic performance was examined using fluorinated compounds and their hydrocarbon analogs, including CF 3 -substituted aromatics, aliphatic alcohols, fluorotelomer alcohols (FTOHs), and perfluoroalkenes. Measurements on 5 m and 20 m columns revealed that the IL possessing branched alkyl provided stronger dispersive and hydrogen bonding interactions toward non-fluorinated aromatic and long-chain alcohols, whereas the fluorinated ILs enhanced retention of highly fluorinated FTOHs and perfluorodecene. Comprehensive two-dimensional GC (GC × GC), using a nonpolar primary column coupled with secondary columns featuring cross-bonded poly(trifluoropropylmethyl siloxane) (Rtx-200 ms), the branched fluorinated IL, or the branched non-fluorinated IL, highlighted complementary selectivity with the branched fluorinated IL providing the strongest interactions with fluorinated analytes. Significance These results demonstrate that fluorinated IL stationary phases are promising alternatives to conventional polysiloxane stationary phases for improving the separation of per- and polyfluoroalkyl substances and related fluorinated compounds. By correlating IL structure with fluorophilic interactions, this work establishes design principles for GC stationary phases that enable enhanced selectivity for highly fluorinated analytes while maintaining complementary interactions with non-fluorinated compounds.

Comprehensive two-dimensional GC↗