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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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Structural Insights into the Unique Activation Mechanisms of a Non-classical Calpain and Its Disease-Causing Variants
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LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants
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Computationally derived structural insights into Rare Earth selectivity in lanmodulin and its variants
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DNA polymerase λ Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining
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Fluorinated HIV-1 protease inhibitors containing chiral hydroxyethylbenzene and indanol as P2′ ligands with potent activity against drug-resistant variants
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Designing a repository in domal salt: The influence of design variants in different modelling environments
To understand the long-term environmental impact of disposing radioactive waste of in a deep geological repository and to optimise its design, performance assessments are used. In this study, four teams (COVRA, GRS, Quintessa, and DOE) modified the previously developed generic repository of DECOVALEX task F2 to identify commonalities and differences between the teams for specific changes in repository design. The teams tested six design modifications: (1) Replacing concrete abutments with run-of-mine salt; (2) Replacing the salt seal with a concrete abutment and using run-of-mine salt instead for the two concrete abutments in each drift seal; (3) Halving the size of the infrastructure area; (4) Using run-of-mine salt instead of gravel for backfilling the infrastructure area; (5) Disposal of spent nuclear fuel without the POLLUX-10 containers (6); Lower initial saturation of the spent nuclear fuel and vitrified waste disposal drifts. Despite different modelling strategies used, models agreed that a smaller infrastructure area has a limited effect on radionuclide transport. Responses to the absence of the two concrete abutments in each seal, the use of single large concrete abutments (200 m each), or the use of run-of-mine salt in the infrastructure area differ between teams due to differing modelling assumptions. Based on these results, the estimated efficacy of containment depends strongly on the model assumptions of each team. More specifically, it appears to depend on the compaction model used and therefore on the backfill material used in different areas of the repository. However, the drift seal appears to be a critical design element in all models, effectively limiting radionuclide transport by hydrologically disconnecting sections of the repository. Additional beneficial design choices include the use of dry salt in disposal drifts to limit radionuclide transport and reducing the infrastructure area costs and minimizing host rock damage.
Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice
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Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants
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Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops
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Structures of human protein tyrosine phosphatase variants reveal targetable allosteric sites
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Hereditary Mucoepithelial Dysplasia and Autosomal-Dominant IFAP Syndrome Is a Clinical Spectrum Due to SREBF1 Variants
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Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan
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Substituent size versus metal binding of inhibitors with variants of influenza endonuclease
The influenza virus causes a significant burden of illness each year. Although vaccination is the most effective method to prevent seasonal influenza infection, viral escape mechanisms make vaccine composition difficult to predict. Antivirals are crucial for decreasing rates of morbidity and mortality from influenza viral infection. The newest anti-influenza drugs target the RNA-dependent RNA polymerase acidic N-terminal (PA N ) endonuclease, a critical component of influenza viral replication machinery. This study examines the structure of inhibitors of PAN that utilize a hydroxypyridinone-based metal-binding pharmacophore (MBP). Specifically, this report explores how the size of substituent groups impacts the binding conformation and affinity of a series of compounds against both wild-type (WT) and resistance mutant strains, I38T and E23K. Co-crystal structures revealed that the distance between compounds and enzyme residue 38 was conserved to maintain strong interactions, resulting in deviations from ideal coordination geometries at the active site metal centers. This suggests the interactions with residue 38 with each compound is important and can impact inhibitor potency as a consequence of distortions in the metal binding geometry of the compounds.
Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends bet
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Structural and Dynamic Features of Acinetobacter baumannii OXA-66 β-Lactamase Explain Its Stability and Evolution of Novel Variants
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The Effect of η Phase Precipitates on the Creep Behavior of Alloy 263 and Variants
Phase stability is an important design parameter for Ni-based superalloys to be used in future advanced ultra-supercritical (AUSC) power plants as exposure times in this type of environment are considerable. In this investigation, microstructures based on candidate alloy 263 were obtained with varying amounts of η precipitates using isothermal exposure at 800°C for times ranging from 1,000 h to 10,000 h. The effect of η phase stability on the creep properties was determined using creep specimens isothermally aged at 800°C for 8 h, 3,000 h, 5,000 h and 10,000 h prior to creep screening. The creep life was found to exponentially decrease with increasing density of η phase while the elongation to failure was found to increase. Furthermore, the minimum creep rate was related to the density of η phase; a relationship that did not depend on the alloy formulation. Modification to the Ti and Al concentrations slowed down the γ' to η transformation while doubling the γ' fraction after standard heat treatment. By modifying the Ti and Al content, and thereby improving γ' stability over η, the creep lives of specimens isothermally aged for up to 5,000 h were greater than that of the nominal alloy in its standard aged condition.