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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 163 records · Page 9

Molecular Engineering Enabled Stable Deep Eutectic Amide-Based Electrolyte for High-Temperature Lithium–Metal Batteries

The development of advanced lithium-metal batteries (LMBs), such as high-temperature LMBs and high-energy-density LMBs, has critical requirements for electrolytes. However, conventional electrolytes suffer from thermal instability and insufficient electrolyte/Li interfacial compatibility, severely limiting their utilization in high-temperature LMBs. Herein, we design a high-temperature N-methylacetamide (NMAc)-based deep eutectic electrolyte (DEE) by molecular engineering on a solvation structure via a sacrificial additive of vinyl ethylene carbonate (VEC). Specifically, VEC interacts with the Li prior to NMAc, facilitating the formation of a solid electrolyte interphase to inhibit the reaction between Li and NMAc. The stable VEC-DEE effectively suppresses the growth of lithium dendrites and ensures the battery a cycling stability of 550 cycles at 80 °C. Additionally, we also demonstrate the application of VEC-DEE in high-energy-density LMBs with a high mass loading of 2.5 mAh/cm 2 . In conclusion, this research opens a new avenue for the rational design of advanced high-temperature electrolytes.

25 ENERGY STORAGE↗

Mechanistic Duality of Bacterial Efflux Substrates and Inhibitors: Example of Simple Substituted Cinnamoyl and Naphthyl Amides

Antibiotic resistance poses an immediate and growing threat to human health. Multidrug efflux pumps are promising targets for overcoming antibiotic resistance with small-molecule therapeutics. Previously, we identified a diaminoquinoline acrylamide, NSC-33353, as a potent inhibitor of the AcrAB–TolC efflux pump in Escherichia coli. This inhibitor potentiates the antibacterial activities of novobiocin and erythromycin upon binding to the membrane fusion protein AcrA. It is also a substrate for efflux and lacks appreciable intrinsic antibacterial activity of its own in wild-type cells. Here, we have modified the substituents of the cinnamoyl group of NSC-33353, giving rise to analogs that retain the ability to inhibit efflux, lost the features of the efflux substrates, and gained antibacterial activity in wild-type cells. The replacement of the cinnamoyl group with naphthyl isosteres generated compounds that lack antibacterial activity but are both excellent efflux pump inhibitors and substrates. Surprisingly, these inhibitors potentiate the antibacterial activity of novobiocin but not erythromycin. Surface plasmon resonance experiments and molecular docking suggest that the replacement of the cinnamoyl group with naphthyl shifts the affinity of the compounds away from AcrA to the AcrB transporter, making them better efflux substrates and changing their mechanism of inhibition. These results provide new insights into the duality of efflux substrate/inhibitor features in chemical scaffolds that will facilitate the development of new efflux pump inhibitors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Waste PET Chemical Processing to Terephthalic Amides and Their Effect on Asphalt Performance

The large amount of waste generated from polyethylene terephthalate (PET) packaging materials that have reached the end of life is creating a waste management issue that cannot be handled by mechanical recycling alone. Thus, it is imperative that alternate routes to recover and reuse these materials be pursued. A chemical recycling approach of mixed PET was demonstrated here that provides a mechanism by which PET waste can be efficiently recovered and repurposed to value-added products. The approach utilizes aminolysis of PET with a variety of amine nucleophiles, generating a small library of phthalimides with unique structures. In order to probe the high value of these products, the phthalimides were added to road-grade asphalt binder at 5 wt% and the resulting composite was evaluated. Specifically, rutting and fatigue characteristics as well as thermomechanical and creep performance were characterized and found to be improved by the inclusion of these additives by as much as 18%. In this work, additives made from deconstructed PET wastes were shown to improve the performance properties of asphalt at a variety of environmental conditions. These improvements would reduce the cost of road maintenance and provide a high-value market for waste PET. It is important to note that the asphalt binder utilized in this work was a commercial product already optimized for road conditions, not the raw bitumen; perhaps higher performance metrics could be obtained with virgin bitumen.

Recycling, Asphalt↗

Intensifying Renewable Energy Droughts in the Western U.S. Amid Evolving Infrastructure and Climate

If renewable energy resources continue to become a larger part of the generation mix in the United States (U.S.), so does the potential impact of prolonged periods of low wind and solar generation, known as variable renewable energy (VRE) droughts. In such a future, naturally occurring VRE droughts need to be evaluated for their potential impact on grid reliability. This study is the first of its kind to examine the impacts of compound VRE energy droughts in the Western U.S. across a range of potential future climate and infrastructure scenarios. We find that compound VRE drought severity may increase significantly in the future, primarily due to the dramatic increase in wind and solar generation needed in some future infrastructure scenarios. We find that in our future climate scenario, the variability of energy drought severity increases, which has implications for sizing energy storage necessary for mitigating drought events. We also examine the spatial patterns of compound VRE drought events that effect multiple regions of the grid simultaneously. These co-occurring events have distinct spatial patterns depending on the season. We observed overall fewer connected events in the future with the combined effect of potential climate and infrastructure changes, although in the fall we observe a climate-induced shift toward events which impact more regions simultaneously.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Syntheses, structures, and 1 H, 13 C{ 1 H} and 119 Sn{ 1 H} NMR chemical shifts of a family of trimethyltin alkoxide, amide, halide and cyclopentadienyl compounds

The synthesis and full characterization, including Nuclear Magnetic Resonance (NMR) data ( 1 H, 13 C{ 1 H} and 119 Sn{ 1 H}), for a series of Me 3 SnX (X = O-2,6-tBu 2 C 6 H 3 (1), (Me 3 Sn)N(2,6- i Pr 2 C 6 H 3 ) (3), NH-2,4,6- t Bu 3 C 6 H 2 (4), N(SiMe 3 ) 2 (5), NEt 2 , C 5 Me 5 (6), Cl, Br, I, and SnMe 3 ) compounds in benzene-d 6 , toluene-d 8 , dichloromethane-d 2 , chloroform-d 1 , acetonitrile-d 3 , and tetrahydrofuran-d 8 are reported. The X-ray crystal structures of Me 3 Sn(O-2,6- t Bu 2 C 6 H 3 ) (1), Me 3 Sn(O-2,6- i Pr 2 C 6 H 3 ) (2), and (Me 3 Sn)(NH-2,4,6- t Bu 3 C 6 H 2 ) (4) are also presented. As a result, these compiled data complement existing literature data and ease the characterization of these compounds by routine NMR experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tandem dissolution of UO 3 in amide-based acidic ionic liquid and in situ electrodeposition of UO 2 with regeneration of the ionic liquid: a closed cycle

A closed cycle is demonstrated for the tandem dissolution and electroreduction of UO 3 to UO 2 with regeneration of the acidic ionic liquid. The dissolution is achieved by use of the acidic ionic liquid N,N-dimethylacetimidium bis(trifluoromethanesulfonimide) in 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonimide) serving as the diluent. Bulk electrolysis performed at 1.0 V vs. Ag reference yields a dark brown-black uranium deposit (UO 2 ) on the cathode. Anodic oxidation of water in the presence of dimethylacetamide regenerates the acidic ionic liquid. We have demonstrated the individual steps in the cycle together with a sequential dissolution, electroreduction, and regeneration cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗