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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 Capture of η 1 -OSO to η 2 -(OS)O Coordination Isomerism in a New Ruthenium-Based SO 2 -Linkage Photoisomer That Exhibits Single-Crystal Optical Actuation
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Orthogonal Active-Site Labels for Mixed-Linkage endo-[beta]-Glucanases
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Modeling an S N 2 Reaction Mechanism for Hydrolysis of Siloxane Linkages with Density Functional Theory under Basic Conditions and Implications for Dissolution of Quartz
An extended silicate molecular cluster was used to perform density functional theory calculations to determine if an S N 2 mechanism, where OH – attacks a Q 1 Si coupled with Na + charge balancing an adjacent siloxane bridging O atom, could explain the observed energy of activation of quartz dissolution under basic conditions.
Understanding Explosive Sensitivity with Effective Trigger Linkage Kinetics
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Nutrient supply controls the linkage between species abundance and ecological interactions in marine bacterial communities
Nutrient scarcity is pervasive for natural microbial communities, affecting species reproduction and co-existence. However, it remains unclear whether there are general rules of how microbial species abundances are shaped by biotic and abiotic factors. Here we show that the ribosomal RNA gene operon (rrn) copy number, a genomic trait related to bacterial growth rate and nutrient demand, decreases from the abundant to the rare biosphere in the nutrient-rich coastal sediment but exhibits the opposite pattern in the nutrient-scarce pelagic zone of the global ocean. Both patterns are underlain by positive correlations between community-level rrn copy number and nutrients. Furthermore, inter-species co-exclusion inferred by negative network associations is observed more in coastal sediment than in ocean water samples. Nutrient manipulation experiments yield effects of nutrient availability on rrn copy numbers and network associations that are consistent with our field observations. Based on these results, we propose a “hunger games” hypothesis to define microbial species abundance rules using the rrn copy number, ecological interaction, and nutrient availability.
Global droughts connected by linkages between drought hubs
Abstract Quantifying the spatial and interconnected structure of regional to continental scale droughts is one of the unsolved global hydrology problems, which is important for understanding the looming risk of mega-scale droughts and the resulting water and food scarcity and their cascading impact on the worldwide economy. Using a Complex Network analysis, this study explores the topological characteristics of global drought events based on the self-calibrated Palmer Drought Severity Index. Event Synchronization is used to measure the strength of association between the onset of droughts at different spatial locations within the time lag of 1-3 months. The network coefficients derived from the synchronization network indicate a highly heterogeneous connectivity structure underlying global drought events. Drought hotspot regions such as Southern Europe, Northeast Brazil, Australia, and Northwest USA behave as drought hubs that synchronize regionally and with other hubs at inter-continental or even inter-hemispheric scale. This observed affinity among drought hubs is equivalent to the ‘rich-club phenomenon’ in Network Theory, where ‘rich’ nodes (here, drought hubs) are tightly interconnected to form a club, implicating the possibility of simultaneous large-scale droughts over multiple continents.
Microbiome–metabolite linkages drive greenhouse gas dynamics over a permafrost thaw gradient
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Asian-Australian summer monsoons linkage to ENSO strengthened by global warming
The El Niño-Southern Oscillation (ENSO) used to affect the Asian summer monsoon (ASM) and Australian summer monsoon (AusSM) precipitation in different ways but global warming may have changed it. This study built robust annual ASM (AusSM) precipitation reconstructions during 1588–2013 (1588–1999) to examine the ENSO-monsoon relationship and how it has changed. During the period of 1588–1850 when natural climate variability was dominant, the ENSO-monsoon and inter-monsoon relationship was weak and non-stationary. Since 1850, however, both the inter-monsoon and ENSO-monsoon relationships saw an enhancement and this trend has been persistent to the present day, suggesting the influence of anthropogenic climate warming. Further analysis of climate model projections found that global warming can strengthen the ENSO-monsoon association that, subsequently, acts to synchronize the ASM and AusSM variations.
Rapid build up of nanooptomechanical transduction in single crystals of a ruthenium-based SO 2 linkage photoisomer
Nanooptomechanical transduction in single crystals of [Ru(SO 2 )(NH 3 ) 4 (H 2 O)]chlorobenzenesulfonate 2 reaches maximal levels within 40 s at 100 K. This rapid build up of single-crystal optical actuation may be useful in solid-state optical devices.
Driving high quantum yield NIR emission through proquinoidal linkage motifs in conjugated supermolecular arrays
Incorporation of proquinoidal BTD building blocks into conjugated porphyrin oligomers minimizes the extent of excited-state structural relaxation relative to the ground-state conformation, elucidating new classes of impressive NIR fluorophores.
Low-energy optical switching of SO 2 linkage isomerisation in single crystals of a ruthenium-based coordination complex
Single crystals that behave as optical switches are desirable for a wide range of applications, from optical sensors to read–write memory media.
Heterogeneous energetic material damage simulator (HEDS): A deep learning approach to simulate damage–sensitivity linkages
Damage in the microstructures of energetic materials (EMs), such as propellants and plastic bonded explosives (PBXs), can significantly alter their response to external loads. Both sensitization and desensitization can occur, causing concerns with safety and performance in the field; predictive models that connect damage and the sensitivity of EMs can enable design and provide confidence in their robustness and reliability. However, modeling of damage evolution is challenging for real microstructures of EMs; samples of damaged EMs are difficult to obtain, thereby hindering experiments and direct numerical simulations to determine the sensitivity of EMs at various stages of damage. Here, we develop an approach to generate synthetic, i.e., in silico produced, damaged microstructures for use in simulations to connect damage levels to sensitivity. The development of the present workflow to generate and impose varying levels of damage in microstructures, known as HEDS (Heterogeneous Energetic Material Damage Simulator), begins with a small set of images of damaged PBXs and combines a collection of deep neural network techniques to generate microstructures with varying levels of damage. By making the synthetic microstructures conform closely to those observed in available real, imaged microstructures, we develop an ensemble of damaged microstructures that can be used for in silico shock experiments. HEDS develops these microstructure ensembles as level set fields, which are directly employed in a sharp interface Eulerian hydrocode where shock simulations are performed to quantify the energy release rate from hotspot fields generated in the microstructure. These capabilities can be useful for the analysis and assessment of changes in the sensitivity of EMs and to design formulations that are less susceptible to damage-induced changes in sensitivity and performance.
Multivalent interactions make adherens junction?cytoskeletal linkage robust during morphogenesis
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Growing Pacific Linkage with Western North Atlantic Explosive Cyclogenesis
Abstract Explosive cyclones (ECs), defined as extratropical cyclones that experience normalized pressure drops of at least 24 hPa in 24 h, are impactful weather events in the North Atlantic sector, but year-to-year changes in the frequency and impacts of these storms are sizeable. To analyze the sources of this interannual variability, we track cases of ECs and dissect them into two spatial groups: those that formed near the east coast of North America (coastal) and those in the north central Atlantic (high latitude). The frequency of high-latitude ECs is strongly correlated with the North Atlantic Oscillation, a well-known feature, whereas coastal EC frequency is statistically linked with an atmospheric wave train emanating from the North Pacific in the last 30 years. This wave train pattern of alternating high and low pressure is associated with heightened upper-level divergence and Eady growth rates along the east coast of North America, likely resulting in a stronger correspondence between the atmospheric wave train and coastal EC frequency. Using coupled model experiments, we show that the tropical and North Pacific oceans are an important factor for this atmospheric wave train and the subsequent enhancement of seasonal baroclinicity in the North Atlantic.
Psychological Distress and Alzheimer’s Disease Mortality in the United States: Results from the 1997–2014 National Health Interview Survey-National Death Index Record Linkage Study
Objective: This study examines the association between psychological distress and Alzheimer’s disease mortality among US adults aged ≥45. Methods: We analyzed the Kessler 6-item psychological distress scale as a risk factor for Alzheimer’s mortality using the pooled 1997–2014 National Health Interview Survey (NHIS)- National Death Index (NDI) database ( N = 265,089). Cox regression was used to model mortality as a function of psychological distress and sociodemographic and behavioral covariates. Results: The Alzheimer’s mortality risk was 97% higher (HR = 1.97; 95% confidence interval [CI] = 1.37, 2.84) in adults with serious psychological distress compared with those without psychological distress, controlling for sociodemographic covariates. The relative mortality risk remained statistically significant (HR = 1.49; 95% CI = 1.04, 2.13) after additional adjustment for smoking, alcohol consumption, health status, activity limitation, and body mass index. Discussion: US adults had significantly higher risks of Alzheimer’s disease mortality at higher psychological distress levels. These findings underscore the significance of addressing psychological well-being as a strategy for reducing Alzheimer’s disease mortality.
Data and scripts associated with a manuscript investigating dissolved organic matter and microbial community linkages across seven globally distributed rivers
This data package is associated with the publication “Meta-metabolome ecology reveals that geochemistry and microbial functional potential are linked to organic matter development across seven rivers” submitted to Science of the Total Environment. This data package includes the data necessary to replicate the analyses presented within the manuscript to investigate dissolved organic matter (DOM) development across broad spatial distances and within divergent biomes. Specifically, we included the Fourier transform ion cyclotron mass spectrometry (FTICR-MS) data, geochemistry data, annotated metagenomic data, and results from ecological null modeling analyses in this data package. Additionally, we included the scripts necessary to generate the figures from the manuscript. Complete metagenomic data associated with this data package can be found at the National Center for Biotechnology (NCBI) under Bioproject PRJNA946291. This dataset consists of (1) four folders; (2) a file-level metadata (flmd) file; (3) a data dictionary (dd) file; (4) a factor sheet describing samples; and (5) a readme. The FTICR Data folder contains (1) the processed Fourier transform ion cyclotron mass spectrometry (FTICR-MS) data; (2) a transformation-weighted characteristics dendrogram generated from the FTICR-MS data; and (3) the script used to generate all FTICR-MS related figures. The Geochemical Data folder contains (1) the single geochemistry data file and (2) the R script responsible for generating associated figures. The Metagenomic Data folder contains (1) annotation information across different levels; (2) carbohydrate active enzyme (CAZyme) information from the dbCAN database (Yin et al., 2012); (3) phylogenetic tree data (FASTAs, alignments, and tree file); and (4) the scripts necessary to analyze all of these data and generate figures. The Null Modeling Data folder contains (1) data generated during null modeling for each river and all rivers combined and (2) the R scripts necessary to process the data. All files are .csv, .pdf, .tsv, .tre, .faa, .afa, .tree, or .R.