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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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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Extraterrestrial Organic Compounds and Cyanide in the CM2 Carbonaceous Chondrites Aguas Zarcas and Murchison

Evaluating the water-soluble organic composition of carbonaceous chondrites is key to understanding the inventory of organic matter present at the origins of the solar system and the subsequent processes that took place inside asteroid parent bodies. Here, we present a side-by-side analysis and comparison of the abundance and molecular distribution of aliphatic amines, aldehydes, ketones, mono- and dicarboxylic acids, and free and acid-releasable cyanide species in the CM2 chondrites Aguas Zarcas and Murchison. The Aguas Zarcas meteorite is a recent fall that occurred in central Costa Rica and constitutes the largest recovered mass of a CM-type meteorite after Murchison. The overall content of organic species we investigated was systematically higher in Murchison than in Aguas Zarcas. Similar to previous meteoritic organic studies, carboxylic acids were one to two orders of magnitude more abundant than other soluble organic compound classes investigated in both meteorite samples. We did not identify free cyanide in Aguas Zarcas and Murchison; however, cyanide species analyzed after acid-digestion of the water-extracted meteorite mineral matrix were detected and were quantified at slightly higher abundances in Aguas Zarcas compared to Murchison. Although there were differences in the total abundances of specific compound classes, these two carbonaceous chondrites showed similar isomeric distributions of aliphatic amines and carboxylic acids, with common traits such as a complete suite of structural isomers that decreases in concentration with increasing molecular weight. These observations agree with their petrologic CM type-2 classification, suggesting that these meteorites experienced similar organic formation processes and/or conditions during parent body aqueous alteration.

Jose Carlos Aponte Silva↗
DOE OSTI2020

Enhanced detection of volatile organic compounds (VOCs) by caffeine modified carbon nanotube junctions

Detection of vapor phase analytes and gas molecules is primarily essential for numerous applications including medical diagnostic, environmental monitoring, chemical threat detection, food quality control, and chemical warfare agents. Here, we developed Caffeine functionalized carbon nanotubes (CNTs) random network based vapor quantum resistive sensors (vQRSs) for volatile organic compounds (VOCs) detection. The localized transmission electron microscopy (TEM) image and energy dispersive X-ray spectroscopy (EDS) confirm migration of caffeine to CNT–CNT junction (CNTj). We have recorded more than one order of magnitude higher sensitivity and unique selectivity towards selective VOCs (e.g., acetone, toluene, ethanol, methanol, etc.) with short response time (few seconds) for caffeine modified CNT junction (Caf-CNTj) vQRSs. Molecular dynamics (MD) calculations suggest that the sensitivity of the sensor is diffusion limited, with an advective contribution for ethanol. Furthermore, the designed Caf-CNTj sensors can potentially be important candidate to be a part of electronic nose used for various application such as breath analysis and food quality monitoring.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Laboratory Detection and Analysis of Organic Compounds in Rocks Using HPLC and XRD Methods

In this work we describe an analytical method for determining the presence of organic compounds in rocks, limestone, and other composite materials. Our preliminary laboratory experiments on different rocks/limestone show that the organic component in mineralogical matrices is a minor phase on order of hundreds of ppm and can be better detected using high precision liquid chromatography (HPLC). The matrix, which is the major phase, plays an important role in embedding and protecting the organic molecules from the harsh Martian environment. Some rocks bear significant amounts of amino acids therefore, it is possible to identify these phases using powder x-ray diffraction (XRD) by crystallizing the organic. The method of detection/analysis of organics, in particular amino acids, that have been associated with life will be shown in the next section.

Dragoi, D.↗
DOE OSTI2020

Low Molecular Weight Volatile Organic Compounds Indicate Grazing by the Marine Rotifer Brachionus plicatilis on the Microalgae Microchloropsis salina

Microalgae produce specific chemicals indicative of stress and/or death. The aim of this study was to perform non-destructive monitoring of algal culture systems, in the presence and absence of grazers, to identify potential biomarkers of incipient pond crashes. Here, we report ten volatile organic compounds (VOCs) that are robustly generated by the marine alga, Microchloropsis salina, in the presence and/or absence of the marine grazer, Brachionus plicatilis. We cultured M. salina with and without B. plicatilis and collected in situ volatile headspace samples using thermal desorption tubes over the course of several days. Data from four experiments were aggregated, deconvoluted, and chromatographically aligned to determine VOCs with tentative identifications made via mass spectral library matching. VOCs generated by algae in the presence of actively grazing rotifers were confirmed via pure analytical standards to be pentane, 3-pentanone, 3-methylhexane, and 2-methylfuran. Six other VOCs were less specifically associated with grazing but were still commonly observed between the four replicate experiments. Through this work, we identified four biomarkers of rotifer grazing that indicate algal stress/death. This will aid machine learning algorithms to chemically define and diagnose algal mass production cultures and save algae cultures from imminent crash to make biofuel an alternative energy possibility.

headspace sampling↗
DOE OSTI2025

A device for volatile organic compound (VOC) analysis from skin using heated dynamic headspace sampling

Abstract Human skin is an important source of volatile organic compounds (VOCs) offering noninvasive methods to gain clinical metabolite information. This work was focused on the development of a skin sampling device based on a dynamic headspace sampling method with the addition of temperature to increase VOC metabolite recovery. The device preconcentrates skin VOC emissions onto a sorbent substrate, which can either be preserved for offline analysis or attached to a real time sensor downstream. In this work, skin VOC samples were analyzed offline using thermal desorption-gas chromatography-mass spectrometry. A list of 10 common skin VOCs was pre-selected to optimize parameters of sampling time, sampling temperature, and sorbent selection. Overall, this study highlights an effective skin VOC sampling technology with a heating dimension (40 °C, rather than 30 °C or no heating) with a sampling time of 15 min (rather than 5 or 30 mins) and onto Tenax TA sorbent (rather than PDMS), which collectively increases the recovery of compounds with lower vapor pressure and decreases the observed variability in skin VOC measurements. Finally, a list of 79 skin VOC compounds were detected and identified within a cohort of 20 young, healthy volunteers.

Biochemistry & Molecular Biology↗
NASA NTRS2021

Volatile Organic Compounds Emitted from Air Fresheners: Plug-Ins at Home and Little Trees in Cars

Air fresheners contain volatile organic compounds (VOCs), some of which are possible hazardous air pollutants, carcinogens, or chemicals associated with adverse health effects such as asthma. This screening study identifies VOCs emitted from two types of air fresheners. Plug-in air fresheners are household products that release scents from a heated liquid. Little Tree air fresheners are commonly used solid devices designed to hang in from the rear view mirror in cars. VOCs that were released from heated samples of air fresheners were identified by gas chromatography mass spectroscopy (GCMS). Amongst VOCs commonly known to have scent properties, this screening also revealed the presence of compounds that are not associated with fragrances and that may have adverse health effects. In a pilot study to characterize how air fresheners affect air quality in real settings, air samples were collected on solid-phase microextraction (SPME) field samplers in a home setting and inside a vehicle, before and during air-freshener use. This pilot demonstrated some limited potential for SPME field samplers to track changes in VOC levels in real-life settings.

Adriana Pino-Delgado↗
DOE OSTI2020

Structural and Optical Response of Polymer-Stabilized Blue Phase Liquid Crystal Films to Volatile Organic Compounds

Engineering useful mechanical properties into stimuli-responsive soft materials without compromising their responsiveness is, in many cases, an unresolved challenge. For example, polymer networks formed within blue-phase liquid crystals (BPs) have been shown to form mechanically robust films, but the impact of polymer networks on the response of these soft materials to chemical stimuli has not been explored. In this work, we report on the response of polymer-stabilized BPs (PSBPs) to volatile organic compounds (VOCs, using toluene as a model compound) and compare the response to BPs without polymer stabilization and to polymerized nematic and cholesteric phases. We find that PSBPs generate an optical response to toluene vapor (change in reflection intensity under crossed polars) that is sixfold greater in sensitivity than the polymerized nematic or cholesteric phases and with a limit of detection (140 ± 10 ppm at 25 °C) that is relevant to the measurement of permissible exposure limits for humans. Additionally, when compared to BPs that have not been polymerized, PSBPs respond to a broader range of toluene vapor concentrations (5000 vs <1000 ppm) over a wider temperature interval (25–45 vs 45–53 °C). We place these experimental observations into the context of a simple thermodynamic model to explore how the PSBP response reflects the effect of toluene on competing contributions of double-twisted LC cylinders, disclinations, and polymer network to the free energy that controls the PSBP lattice spacing. Overall, we conclude that the mechanical and thermal stability of PSBPs, when combined with their optical responsiveness to toluene, make this class of self-supporting LCs a promising one as the basis of passive and compact (e.g., wearable) sensors for VOCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Abiotic and Biotic Damage of Microalgae Generate Different Volatile Organic Compounds (VOCs) for Early Diagnosis of Algal Cultures for Biofuel Production

Open microalgal ponds used in industrial biomass production are susceptible to a number of biotic and abiotic environmental stressors (e.g., grazers, pathogens, pH, temperature, etc.) resulting in pond crashes with high economic costs. Identification of signature chemicals to aid in rapid, non-invasive, and accurate identification of the stressors would facilitate targeted and effective treatment to save the algal crop from a catastrophic crash. Specifically, we were interested in identifying volatile organic compounds (VOCs) that can be used to as an early diagnostic for algal crop damage. Cultures of Microchloropsis gaditana were subjected to two forms of algal crop damage: (1) active grazing by the marine rotifer, Brachionus plicatilis, or (2) repeated freeze–thaw cycles. VOCs emitted above the headspace of these algal cultures were collected using fieldable solid phase microextraction (SPME) fibers. An untargeted analysis and identification of VOCs was conducted using gas chromatography-mass spectrometry (GC-MS). Diagnostic VOCs unique to each algal crop damage mechanism were identified. Active rotifer grazing of M. gaditana was characterized by the appearance of carotenoid degradation products, including β-cyclocitral and various alkenes. Freeze–thaw algae produced a different set of VOCs, including palmitoleic acid. Both rotifer grazing and freeze–thawed algae produced β-ionone as a VOC, possibly suggesting a common stress-induced cellular mechanism. Importantly, these identified VOCs were all absent from healthy algal cultures of M. gaditana. Early detection of biotic or abiotic environmental stressors will facilitate early diagnosis and application of targeted treatments to prevent algal pond crashes. Thus, our work further supports the use of VOCs for monitoring the health of algal ponds to ultimately enhance algal crop yields for production of biofuel.

09 BIOMASS FUELS↗
DOE OSTI2025

Measurement report: Extreme heat and wildfire emissions enhance volatile organic compounds in a temperate forest

Climate extremes are projected to cause unprecedented deviations in the emission and transformation of volatile organic compounds (VOCs), which trigger feedback mechanisms that will impact the atmospheric oxidation and formation of aerosols and clouds. However, the response of VOCs to future conditions such as extreme heat and wildfire events is still uncertain. This study explored the modification of the mixing ratio and distribution of several anthropogenic and biogenic VOCs in a temperate oak–hickory–juniper forest as a response to increased temperature and transported biomass burning plumes. A chemical ionization mass spectrometer was deployed on a tower at a height of 32 m in rural central Missouri, United States, for the continuous and in situ measurement of VOCs from June to August of 2023. The maximum observed temperature in the region was 38 °C, and during multiple episodes the temperature remained above 32 °C for several hours. Biogenic VOCs such as isoprene and monoterpene followed closely the temperature daily profile but at varying rates, whereas anthropogenic VOCs were insensitive to elevated temperature. During the measurement period, wildfire emissions were transported to the site and substantially increased the mixing ratios of acetonitrile and benzene, which are produced from burning of biomass. An in-depth analysis of the mass spectra revealed more than 250 minor compounds, such as formamide and methylglyoxal. Extreme heat and presence of wildfire plumes modified the overall volatility, reactivity, O : C, and H : C ratios of the extended list of VOCs. The calculated OH reactivities during extreme temperature condition and transport of biomass burning plumes were 106.37±4.27 and 106.22±5.15 s −1 , respectively, which are substantially higher than background level of 98.78±1.16 s −1 . Multivariate analysis also clustered the compounds into five factors, which highlighted the sources of the unaccounted-for VOCs. Ultimately, results here underscore the effect of extreme heat and wildfire emissions on the overall chemical properties VOC in a temperate forest.

Salvador, Christian Mark [Oak Ridge National Labor↗
NASA NTRS2018

Enantiomer Excesses in Meteoritic Organic Compounds: a Role for Radiation-Magnetism?

Carbonaceous chondrites contain an insoluble “macromolecular” carbon phase as well as discrete soluble organic compounds including amino acids and sugar derivatives. Both the macromolecular carbon and the sugar derivatives are thought to have formed through aqueous formaldehyde chemistry. Formaldehyde is a ubiquitous molecule in interstellar space environments and therefore its chemistry was likely important during the formation of the Earth and other planets. It was also likely delivered throughout Earth's history: it is found in comets and (asteroidal) meteorites. Among the reactions of formaldehyde, those in water are thought to be an important part of the primordial route to today’s nucleic acids, DNA and RNA. A plausible pre-biotic path to these biopolymers would begin with the "formose" reaction, the self-reaction of formaldehyde in an alkaline aqueous medium. Formaldehyde's inclusion in the young solar system’s planets would have provided a relatively fast route to a variety of hydroxylated compounds related to nucleic acids and metabolism, including sugars, sugar acids, sugar alcohols, and formaldehyde polymers.

Cooper, G.↗
DOE OSTI2021

Selective volatile organic compound gas sensor based on carbon nanotubes functionalized with ZnO nanoparticles

Here this paper describes the theory and results for a new class of low-cost chemoresistive gas sensors designed for selective hydrocarbon gas detection. The sensors utilize a multiwalled carbon nanotube (MWCNT) backbone functionalized with metal oxide nanocrystals. Specifically, nanoparticles were grown on the surface of the MWCNTs using atomic layer deposition. The crystallinity of the ZnO-MWCNTs' heterostructure was examined by using a high-resolution transmission electron microscope. The structure of the ZnO/MWCNTs was analyzed using a scanning electron microscope and energy dispersive x ray. The Hall effect measurement shows p-type characteristics of the MWCNTs, supporting the typical PN junction formation with n-type ZnO nanocrystals. The electron-donating ability of ZnO provided a strong response to the ppm levels of toluene at room temperature (25 °C) and showed strong selectivity with other volatile organic compound gases such as benzene, methane, and formaldehyde.

47 OTHER INSTRUMENTATION↗
NASA NTRS2015

The Formation of Organic Compounds of Astrobiological Interest by the Irradiation Processing of Astrophysical Ices

Many environments in space contain very low temperature mixed molecular ices that are exposed to ionizing radiation in the form of cosmic rays and high-energy photons. While traditional chemistry would not be expected to occur at the temperatures typical of these ices (T < 50 K), ionizing radiation can break bonds in the original molecules in the ices to form highly reactive ions and radicals. These ions and radicals are subsequently free to react despite the low temperatures of the original ices. Laboratory experiments, many of them carried out at the Astrochemistry Laboratory at NASA-Ames, show that the irradiation of ices made of even simple molecules like H2O, CO, CO2, CH4, NH3, etc. can result in the robust formation of large numbers of far more complex organic compounds. Many of these new products are of direct interest to astrobiology. For example, the irradiation of mixed molecular ices has been shown to produce amino acids, amphiphiles, quinones, sugars, heterocyclic compounds, and nucleobases, all molecular building blocks used by terrestrial life. Insofar as the presence of these materials plays a role in the origin of life on planets, this has profound implications for the potential abundance of life in the universe since these experiments simulate universal conditions that are expected to be found wherever new stars and planets form.

Astrobiology↗
NASA NTRS2012

The Enantiomeric Ratios of Meteoritic Organic Compounds: Their Possible Roles in the Origin of Life

This talk will give an overview of the enantiomer (mirror-image) ratios of organic compounds in meteorites and also describe the results of the present work in my lab. The primary focus will be on sugar derivatives (sugar acids) of carbonaceous meteorites. Our work begins to address questions associated with chirality, i.e., the origins of homochirality. On Earth, biological monomers (amino acids, sugars, etc.) are usually found with one of the enantiomers more abundant than the other. However, biological polymers (proteins, nucleic acids, etc.) are only composed of one enantiomer i.e., they are homochiral. There are hints in meteorites that some organic molecules may also exist in homochiral forms. The talk will address questions such as: did extraterrestrial sources aid in the beginning of this homochirality? Do the increasing size and apparent enantiomer excesses of some meteoritic compounds also extend to larger meteoritic compounds and polymers?

Cooper, George↗
DOE OSTI2022

Volatile organic compound emissions from 4D printing: Effects of material composition and external stimulus

4D printing of stimuli-responsive materials extends 3D printing by enabling the fabricated structures to transform their shapes and properties over time in response to external stimuli. Numerous research efforts have been dedicated to developing new smart materials, enhancing material printability, and ensuring time-evolving properties. Meanwhile, the use of smart materials and external stimuli in 4D printing has introduced the possibility of air emissions that can potentially deteriorate the indoor air quality at the workplace and pose continuous health hazards to users during the production and use phases. These potential air emissions caused by 4D printing have not yet been assessed in current literature, leading to unknown occupational hazards and human health effects. This study focuses on stereolithography-based 4D printing with constrained thermo-mechanics and builds an emission model to quantify the volatile organic compound emissions from printing, shape programming, and shape recovery stages. The established model mathematically links the emission characteristics with material compositional design and stimuli-response mechanisms. Additionally, shape fixity and recovery abilities are considered to analyze the trade-off between the air emissions and stimuli-response performance of 4D printed parts. Case study results suggest that the methacrylate-based thermo-responsive material with higher glass transition temperature leads to higher air emissions, surpassing the permissible exposure level in the indoor environment. By altering the thermo-temporal conditions, a 61.29% reduction in emission yield can be achieved while ensuring a satisfactory shape memory performance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Metabolic Profiling of Volatile Organic Compounds (VOCs) Emitted by the Pathogens Francisella tularensis and Bacillus anthracis in Liquid Culture

We conducted comprehensive (untargeted) metabolic profiling of volatile organic compounds (VOCs) emitted in culture by bacterial taxa Francisella tularensis (F. tularensis) subspecies novicida and Bacillus anthracis (B. anthracis) Sterne, surrogates for potential bacterial bioterrorism agents, as well as selective measurements of VOCs from their fully virulent counterparts, F. tularensis subspecies tularensis strain SCHU S4 and B. anthracis Ames. F. tularensis and B. anthracis were grown in liquid broth for time periods that covered logarithmic growth, stationary, and decline phases. VOCs emitted over the course of the growth phases were collected from the headspace above the cultures using solid phase microextraction (SPME) and were analyzed using gas chromatography-mass spectrometry (GC-MS). We developed criteria for distinguishing VOCs originating from bacteria versus background VOCs (originating from growth media only controls or sampling devices). Analyses of collected VOCs revealed methyl ketones, alcohols, esters, carboxylic acids, and nitrogen- and sulfur-containing compounds that were present in the bacterial cultures and absent (or present at only low abundance) in control samples indicating that these compounds originated from the bacteria. Distinct VOC profiles where observed for F. tularensis when compared with B. anthracis while the observed profiles of each of the two F. tularensis and B. anthracis strains exhibited some similarities. Furthermore, the relative abundance of VOCs was influenced by bacterial growth phase. These data illustrate the potential for VOC profiles to distinguish pathogens at the genus and species-level and to discriminate bacterial growth phases. The determination of VOC profiles lays the groundwork for non-invasive probes of bacterial metabolism and offers prospects for detection of microbe-specific VOC biomarkers from two potential biowarfare agents.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2013

Micro-ion Traps for Detection of (Pre)-Biotic Organic Compounds on Comets

Comets are currently believed to be a mixture of interstellar and nebular material. Many of the volatiles in comets are attributed to interstellar chemistry, because the same species of carbonaceous compounds are also observed in ices in interstellar molecular (ISM) clouds. Comets are thus likely to be a relatively pristine reservoir of primitive material and carbonaceous compounds in our solar system. They could be a major contributor to the delivery of prebiotic organic compounds, from which life emerged through impacts on early Earth. Mass spectrometers are very powerful tools to identify unknown chemicals, and much progress bas been made in miniaturizing mas spectrometers for space applications. Most miniatu rized mass spectrometers developed to date, however, are still relatively large, power hungry, complicated to assemble, and would have significant impact on space flight vehicle total payload and resource allocations.

vanAmerom, Friso H. W.↗
DOE OSTI2025

Analyzing Tradeoffs Associated with the Manufacture of Refined Fuels by Comparing Volatile Organic Compound (VOC) Emissions Model Results with Carbon Impacts

A first-of-its kind, publicly-available model for estimating emissions of volatile organic compounds from operations along the supply chain of liquid fuels and refinery products is presented and demonstrated. This standardized model permits comprehensive, reproducible, and comparable evaluation of the supply chain/life cycle VOC emissions of liquid fuels and refinery products.

09 BIOMASS FUELS↗