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Results for “Aldehydes”

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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Cross-linking connectivity in bone collagen fibrils: the COOH-terminal locus of free aldehyde

Quantitative analyses of the chemical state of the 16c residue of the alpha 1 chain of bone collagen were performed on samples from fetal (4-6-month embryo) and mature (2-3 year old) bovine animals. All of this residue could be accounted for in terms of three chemical states, in relative amounts which depended upon the age of the animal. Most of the residue was incorporated into either bifunctional or trifunctional cross-links. Some of it, however, was present as free aldehyde, and the content increased with maturation. This was established by isolating and characterizing the aldehyde-containing peptides generated by tryptic digestion of NaB3H4-reduced mature bone collagen. We have concluded that the connectivity of COOH-terminal cross-linking in bone collagen fibrils changes with maturation in the following way: at first, each 16c residue in each of the two alpha 1 chains of the collagen molecule is incorporated into a sheet-like pattern of intermolecular iminium cross-links, which stabilizes the young, nonmineralized fibril as a whole. In time, some of these labile cross-links maturate into pyridinoline while others dissociate back to their precursor form. The latter is likely due to changes in the molecular packing brought about by the mineralization of the collagen fibrils. The resultant reduction in cross-linking connectivity may provide a mechanism for enhancing certain mechanical characteristics of the skeleton of a mature animal.

NASA Discipline Musculoskeletal↗
DOE OSTI2025

Heterogeneous Fe‐N‐C Cocatalyst for Hydroquinone Oxidation Enables Aerobic Oxidation of Primary Alcohols to Aldehydes

Abstract Benzoquinone (BQ) is commonly used as a cocatalyst in multi‐component catalyst systems for aerobic oxidation of organic molecules. Such methods often proceed by a redox cascade in which a secondary catalyst supports aerobic oxidation of hydroquinone (HQ) to BQ. The present study shows that a commercially available non‐precious metal heterogeneous catalyst, PAJ‐Fe‐N‐C, is much more efficient than established homogeneous catalysts for aerobic oxidation of HQ to BQ, and this improved reactivity is crucial to support aerobic oxidation of primary alcohols to aldehydes with the homogeneous iridium catalyst, [Ir(trop 2 DAD]OTf (trop 2 DAD= N , N ‐bis(5‐ H ‐dibenzo[ a , d ]cycloheptene‐5‐yl)‐1,4‐diazabuta‐1,3‐diene). The combination of this heterogeneous/homogeneous catalyst system operates with Ir catalyst loadings as low as 0.05 mol % and turnover frequencies ≥350 h −1 .

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

Tungsten enzymes play a role in detoxifying food and antimicrobial aldehydes in the human gut microbiome

Significance The diverse microorganisms contained within the human gut are known to have significant effects on human health. Herein, we show that genes encoding members of the tungsten oxidoreductase (WOR) family of enzymes and a tungstate-specific transporter are prevalent in the human gut microbiome and metagenome. We demonstrate that two model gut microbes assimilate tungsten into multiple WOR enzymes and that some of these enzymes catalyze the conversion of gut aldehydes to the corresponding acid, likely as a detoxification strategy to remove these reactive compounds.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Heterogeneous Fe‐N‐C Cocatalyst for Hydroquinone Oxidation Enables Aerobic Oxidation of Primary Alcohols to Aldehydes

Abstract Benzoquinone (BQ) is commonly used as a cocatalyst in multi‐component catalyst systems for aerobic oxidation of organic molecules. Such methods often proceed by a redox cascade in which a secondary catalyst supports aerobic oxidation of hydroquinone (HQ) to BQ. The present study shows that a commercially available non‐precious metal heterogeneous catalyst, PAJ‐Fe‐N‐C, is much more efficient than established homogeneous catalysts for aerobic oxidation of HQ to BQ, and this improved reactivity is crucial to support aerobic oxidation of primary alcohols to aldehydes with the homogeneous iridium catalyst, [Ir(trop 2 DAD]OTf (trop 2 DAD= N , N ‐bis(5‐ H ‐dibenzo[ a , d ]cycloheptene‐5‐yl)‐1,4‐diazabuta‐1,3‐diene). The combination of this heterogeneous/homogeneous catalyst system operates with Ir catalyst loadings as low as 0.05 mol % and turnover frequencies ≥350 h −1 .

Asmaul Hoque, Md [Department of Chemistry Universi↗
DOE OSTI2023

Development of the Safe and Broad‐Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained α, γ‐AA Peptide Scaffold

Abstract SARS‐CoV‐2 is still wreaking havoc all over the world with surging morbidity and high mortality. The main protease (M pro ) is essential in the replication of SARS‐CoV‐2, enabling itself an active target for antiviral development. Herein, we reported the design and synthesis of a new class of peptidomimetics‐constrained α, γ‐AA peptides, based on which a series of aldehyde and ketoamide inhibitors of the M pro of SARS‐CoV‐2 were prepared. The lead compounds showed excellent inhibitory activity in the FRET‐based M pro enzymatic assay not only for the M pro of SARS‐CoV‐2 but also for SARS‐CoV and MERS‐CoV, along with HCoVs like HCoV‐OC43, HCoV‐229E, HCoV‐NL63 and HKU1. The X‐ray crystallographic results demonstrated that our compounds form a covalent bond with the catalytic Cys145. They also demonstrated effective antiviral activity against live SARS‐CoV‐2. Overall, the results suggest that α, γ‐AA peptide could be a promising molecular scaffold in designing novel M pro inhibitors of SARS‐CoV‐2 and other coronaviruses.

Chemistry↗
DOE OSTI2021

Volatile aldehyde emissions from “sub-ohm” vaping devices

"Sub-ohm" atomizers with reduced resistance can deliver more power than conventional electronic cigarettes. Typical battery outputs are 100 watts or more. These devices are particularly popular among young users, and can be a significant source of volatile carbonyls in the indoor environment. Emissions from next-generation sub-ohm vaping products were characterized by determining e-liquid consumption and volatile aldehydes emissions for several combinations of popular high-power configurations. Tests explored the effect of dilution air flow (air vent opening), puffing volume, and coil assembly configuration. The mass of liquid consumed per puff increased as the puff volume increased from 50 to 100 mL, then remained relatively constant for larger puff volumes up to 500 mL. This is likely due to mass transfer limitations at the wick and coil assembly, which reduced the vaporization rate at higher puff volumes. Carbonyl emission rates were systematically evaluated using a 0.15 Ω dual coil atomizer as a function of the puffing volume and dilution air flow, adjusted by setting the air vents to either 100% (fully open), 50%, 25%, or 0% (closed). The highest formaldehyde emissions were observed for the lowest puff volume (50 mL) when the vents 31 were closed (48 ng mg-1), opened at 25% (39 ng mg -1 ) and at 50% (32 ng mg -1 ).. By contrast, 50-mL puffs with 100% open vents, and puff volumes >100 mL for any vent aperture, generated formaldehyde yields of 20 ng mg -1 or lower, suggesting that a significant cooling effect resulted in limited carbonyl formation. Considering the effect of the coil resistance when operated at a voltage of 3.8 V, the amount of liquid evaporated per puff decreased as the resistance increased, in the order of 0.15 Ω > 0.25 Ω > 0.6 Ω consistent with decreasing aerosol temperatures measured at the mouthpiece. Three different configurations of 0.15 Ω coils (dual, quadruple and octuple) were evaluated, observing significant variability. No clear trend was found between carbonyl emission rates and coil resistance or configuration, with highest emissions corresponding to a 0.25 Ω dual coil atomizer. Carbonyl emission rates were compared with those determined using the same methodology for conventional e-cigarettes (lower power tank systems), observing overall lower yields for the sub-ohm devices.

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

Low-temperature (< 200 °C) degradation of electronic nicotine delivery system liquids generates toxic aldehydes

Electronic cigarette usage has spiked in popularity over recent years. The enhanced prevalence has consequently resulted in new health concerns associated with the use of these devices. Degradation of the liquids used in vaping have been identified as a concern due to the presence of toxic compounds such as aldehydes in the aerosols. Typically, such thermochemical conversions are reported to occur between 300 and 400 °C. Herein, the low-temperature thermal degradation of propylene glycol and glycerol constituents of e-cigarette vapors are explored for the first time by natural abundance 13 C NMR and 1 H NMR, enabling in situ detection of intact molecules from decomposition. The results demonstrate that the degradation of electronic nicotine delivery system (ENDS) liquids is strongly reliant upon the oxygen availability, both in the presence and absence of a material surface. When oxygen is available, propylene glycol and glycerol readily decompose at temperatures between 133 and 175 °C over an extended time period. Among the generated chemical species, formic and acrylic acids are observed which can negatively affect the kidneys and lungs of those who inhale the toxin during ENDS vapor inhalation. Further, the formation of hemi- and formal acetals is noted from both glycerol and propylene glycol, signifying the generation of both formaldehyde and acetaldehyde, highly toxic compounds, which, as a biocide, can lead to numerous health ailments. The results also reveal a retardation in decomposition rate when material surfaces are prevalent with no directly observed unique surface spectator or intermediate species as well as potentially slower conversions in mixtures of the two components. The generation of toxic species in ENDS liquids at low temperatures highlights the dangers of low-temperature ENDS use.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Catalysts for low-energy aldehyde processes

Photochemical reaction of dicobalt octacarbonyl with polymeric support systems results in formation of polymer bonded metal catalyst. Catalyst is used in hydroformylation (addition of carbon dioxide and hydrogen) of olefins to yield aldehydes.

Gupta, A.↗
NASA NTRS1976

Electrophoretic characterization of aldehyde-fixed red blood cells, kidney cells, lynphocytes and chamber coatings

Ground-based electrokinetic data on the electrophoresis flight experiment to be flown on the Apollo-Soyuz Test Project experiment MA-011 are stipulated. Aldehyde-fixed red blood cells, embryonic kidney cells and lymphocytes were evaluated by analytical particle electrophoresis. The results which aided in the interpretation of the final analysis of the MA-011 experiment are documented. The electrophoresis chamber surface modifications, the buffer, and the material used in the column system are also discussed.

Source record↗
NASA NTRS1970

Nuclear alkylated pyridine aldehyde polymers and conductive compositions thereof

A thermally stable, relatively conductive polymer was disclosed. The polymer was synthesized by condensing in the presence of catalyst a 2, 4, or 6 nuclear alklylated 2, 3, or 4 pyridine aldehyde or quaternary derivatives thereof to form a polymer. The pyridine groups were liked by olefinic groups between 2-4, 2-6, 2-3, 3-4, 3-6 or 4-6 positions. Conductive compositions were prepared by dissolving the quaternary polymer and an organic charge transfer complexing agent such as TCNQ in a mutual solvent such as methanol.

Rembaum, A.↗
DOE OSTI2023

Luminescent Metal–Organic Framework for the Selective Detection of Aldehydes

The detection of toxic, hazardous chemical species is an important task because they pose serious risks to either the environment or human health. Luminescent metal–organic frameworks (LMOFs) as alternative sensors offer rapid and sensitive detection of chemical species. Interactions between chemical species and LMOFs result in changes in the photoluminescence (PL) profile of the LMOFs which can be readily detected using a simple fluorometer. Herein, we report the use of a robust, Zn-based LMOF, [Zn 5 (μ 3 -OH) 2 (adtb) 2 (H 2 O) 5 ·5 DMA] (Zn-adtb, LMOF-341), for the selective detection of benzaldehyde. Upon exposure to benzaldehyde, Zn-adtb experiences significant luminescent quenching, as characterized through PL experiments. Photoluminescent titration experiments reveal that LMOF-341 has a detection limit of 64 ppm and a Ksv value of 179 M –1 for benzaldehyde. Furthermore, we study the guest–host interactions that occur between LMOF-341 and benzaldehyde through in situ Fourier transform infrared and computational modeling employing density functional theory. The results show that benzaldehyde interacts more strongly with LMOF-341 compared to formaldehyde and propionaldehyde. Furthermore, our combined studies also reveal that the mechanism of luminescence quenching originates from an electron-transfer process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Mechanistic Insights into Aldehyde Production from Electrochemical CO 2 Reduction on CuAg Alloy via Operando X-ray Measurements

CO 2 electrolysis converts the greenhouse gas CO 2 into valuable fuels and chemicals, such as carbon monoxide, ethylene, ethanol, etc. Currently, Cu is the only known monometallic catalyst capable of producing multicarbon products from electrochemical CO 2 reduction reaction (eCO2RR), while the poor selectivity limits its further use. It has been found that introducing Ag atoms into the Cu lattice can modulate product preference. However, the synergistic effects between Cu and Ag, and thus, the catalytic performance, are strongly influenced by catalyst morphology, electrolyzer configuration, reaction conditions, etc. Operando measurements can provide explicit information on the catalyst dynamic variation during the reaction, but their operation and analysis are challenging. Herein, we prepared CuAg multiphase alloy catalysts by magnetron sputtering, which allowed for investigating the intrinsic interaction between Cu and Ag. eCO2RR performance exhibited an improved selectivity toward carbonyls at the expense of hydrogen and hydrocarbons. The partially alloyed Cu and Ag phases were confirmed by operando X-ray diffraction. By means of combining operando X-ray measurements and density functional theory (DFT) calculations, the preferred carbonyl production is attributed to the reduced electron density and compressive strain of Cu due to Ag incorporation, which leads to a deeper d-band center and therefore weakened intermediate adsorption and oxophilicity. In conclusion, this work provides evidence of the intrinsic structural and electronic interaction between Cu and Ag during eCO2RR. The obtained information will facilitate the design of bi/multi-phase metallic or alloy electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗