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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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Molecular H 2 as the Reducing Agent in Low-Temperature Oxide Reduction Using Calcium Hydride
Low-temperature synthesis is crucial for advancing sustainable manufacturing and accessing novel metastable phases. Metal hydrides have shown great potential in facilitating the reduction of oxides at low temperatures, yet the underlying mechanism—whether driven by H - , H 2 , or atomic H—remains unclear. Here, in this study, we employ in situ electrical transport measurements and first- principles calculations to investigate the CaH 2 -driven reduction kinetics in epitaxial α-Fe 2 O 3 thin films. Intriguingly, samples in direct contact with or separated from CaH 2 powders exhibit similar apparent activation energies for H 2 reduction, although direct contact significantly increases the reduction rate. These findings indicate that molecular H 2 is the dominant reducing species in the low-temperature reduction of oxides using CaH 2 , with a key aspect of the hydrides' superior reducing power attributed to their ability to eliminate residual moisture. This work underscores the critical role of moisture control in enabling effective low-temperature oxide reduction for advanced material synthesis.
Criegee Intermediates Compete Well with OH as a Cleaning Agent for Atmospheric Amides
Elucidating the chemical kinetics of stabilized Criegee intermediates (sCIs) in the atmosphere is critically important for climate modeling. Here, we report a class of very rapid bimolecular reactions of two sCIs, namely, CH 2 OO and syn-CH 3 CHOO, with amides. We used electronic structure calculations and kinetics calculations to elucidate a universal mechanism by which the oxygen atom of the carbonyl group in an amide is added to the carbon atom of the COO group in the sCI with simultaneous transfer of the amide hydrogen to the terminal oxygen atom of the carbonyl oxide of the sCI. The barriers for the mechanism are submerged below reactants by ∼9 kcal/mol, which means that the tight transition state is not the rate-determining step, and the rate constants are determined by loose free energy bottlenecks between the reactants and the precursor complexes. We calculate the rate constants due to these loose and barrierless transition states by variable-reaction-coordinate variational transition-state theory. We find that bimolecular reactions of sCIs with amides are very rapid, with rate constants 1 to 5 × 10 –10 cm 3 molecule –1 s –1 , which is a factor of 2 faster than the rate constants of carboxylic acids with sCIs and 10 2 faster than the rate constants of OH reactions with amides. This has the consequence that, under a wide range of conditions, sCIs are the major sink for atmospheric amides, in contrast to the usual assumption that OH radicals are the dominant sinks.
Structure and inhibition of Cryptococcus neoformans sterylglucosidase to develop antifungal agents
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Dark brown carbon from wildfires: a potent snow radiative forcing agent?
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Microfluidic-supported synthesis of anisotropic polyvinyl methacrylate nanoparticles via interfacial agents
By combining the advantages of microfluidics and bulk batch synthesis, we developed a single-step, microfluidic-supported synthesis for anisotropic polyvinyl methacrylate (PVMA) polymer nanoparticles with dimensions ranging from 200 nm to 50 nm.
Microswimmers under the spotlight: interplay between agents with different levels of activity
Using simulations and experiments, we propose a protocol for the programmable templated self-assembly of light-activated self-propelled particles. Additionally, we identify the scaling relations for the assembly's characteristic times.
Curing agent effect on shock dissipation and spall strength of EPON 828
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Functionalized Dipicolinic Acid Derivatives as TALSPEAK-MME Stripping Agents
This work describes the examination of two derivatives of dipicolinic acid as the stripping reagents in the combined HEH[EHP], Cyanex-923 system TALSPEAK-MME. The investigation focused on the behavior of the lanthanides, Am, and the transition metals Zr, Mo, Pd, Ru and Rh in the extraction, solvent conditioning, and stripping steps. Solvent conditioning with glycine buffer solutions was shown to be effective for the removal of entrained HNO3¬ as well as managing Pd concentration prior to stripping. The stripping kinetics revealed very rapid phase transfer reactions. The DPA derivatives were shown to have comparable performance to traditional polyaminopolycarboxylate ligands in this system.
Evidence of multiple bacterial, viral, and parasitic infectious disease agents in Mastomys natalensis rodents in riverine areas in selected parts of Zambia
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Tanshinone I as a novel therapeutic agent targeting von Willebrand factor-binding protein to mitigate Staphylococcus aureus pathogenicity
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