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Quaternary tephra from the Valles caldera in the volcanic field of the Jemez Mountains of New Mexico identified in western Canada
A fine-grained, up to 3-m-thick tephra bed in southwestern Saskatchewan, herein named Duncairn tephra (Dt), is derived from an early Pleistocene eruption in the Jemez Mountains volcanic field of New Mexico, requiring a trajectory of northward tephra dispersal of ~1500 km. An unusually low CaO content in its glass shards denies a source in the closer Yellowstone and Heise volcanic fields, whereas a Pleistocene tephra bed (LSMt) in the La Sal Mountains of Utah has a very similar glass chemistry to that of the Dt, supporting a more southerly source. Comprehensive characterization of these two distal tephra beds along with samples collected near the Valles caldera in New Mexico, including grain size, mineral assemblage, major- and trace-element composition of glass and minerals, paleomagnetism, and fission-track dating, justify this correlation. Two glass populations each exist in the Dt and LSMt. The proximal correlative of Dt1 is the plinian Tsankawi Pumice and co-ignimbritic ash of the first ignimbrite (Qbt1g) of the 1.24 Ma Tshirege Member of the Bandelier Tuff. Finally, the correlative of Dt2 and LSMt is the co-ignimbritic ash of Qbt2. Mixing of Dt1 and Dt2 probably occurred during northward transport in a jet stream.
Identifying Lanthanide Energy Levels in Semiconductor Nanoparticles Enables Tailored Multicolor Emission through Rational Dopant Combinations
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Scanning Electrochemical Microscopy for Kinetic Investigations in Viscous Deep Eutectic Solvents: Identifying Practical Approach Curves and Deviations from Electron Transfer Models
Determining heterogeneous electrochemical electron transfer (ET) kinetics in electrolytes with a wide range of physical properties is of great interest for achieving high-performance redox flow batteries. Among such electrolytes, concentrated hydrogen-bonded electrolytes (CoHBEs), including deep eutectic solvents (DESs), have recently garnered significant attention. Unfortunately, traditional Tafel analysis using macroelectrodes often encounters issues with mass transfer limitations in CoHBEs with high viscosities, thereby restricting kinetic analysis to a narrow potential window. Here, in this work, we introduce a methodology for evaluating ET kinetics in viscous DES using the scanning electrochemical microscopy (SECM). We first determined practical solutions to SECM tip positioning in ethaline DES, which yield pseudopositive feedback responses. Lattice Boltzmann method (LBM) simulations helped us rationalize the impact of the fluid and concentration fields, as well as tip geometry, tip approach velocity v, and the solvent viscosity ηs, on the shape of the approach curves. In addition to successfully recreating approach curves over a variety of conditions, we found that approaching a conductor ensured a practical point where the normalized tip response (Ni T = 2) converged at L = 0.7 within ∼10% error regardless of tip velocity. With positioning capabilities at hand, we investigated the kinetics of Fe 3+ /Fe 2+ redox couple in aqueous and the ethaline media. The experimental kinetic results were interpreted using the Butler–Volmer (BV) and Marcus–Hush–Chidsey (MHC) models. For ethaline, a nonideal kinetic behavior was observed, potentially attributed to solvent dynamics within DESs or to the interplay of chloride anions in the charge transfer process.
Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase
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A Newly Identified Peripheral Duplex Anchors and Stabilizes the MALAT1 Triplex
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Charges in Hydrophobic Environments: A Strategy for Identifying Alternative States in Proteins
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Identifying University Chemicals That Pose Security Risks: A Simple Qualitative Approach
Various laboratory-focused tools and methodologies for completing a safety risk assessment have been published, yet few similar resources to address chemical security exist. Herein, we describe a chemical security risk assessment case study at a university in a developing country. In this case study, we demonstrate a chemical security risk assessment for a university chemistry department, using an original inventory of 645 entries which was condensed to 295 chemicals after removing duplicates and erroneous entries. We then prioritized to highlight 83 chemicals of interest based on hazardous or dual-use properties that could lead to unacceptable consequences. We further refined to a list of 34 high-risk chemicals that required action, 48 chemicals that may need further justification and consideration for additional protection, and 1 chemical that did not need further consideration for additional protection.
Identifying the Molecular Edge Termination of Exfoliated Hexagonal Boron Nitride Nanosheets with Solid-State NMR Spectroscopy and Plane-Wave DFT Calculations
Hexagonal boron nitride nanosheets (h-BNNS), the isoelectronic analog to graphene, have received interest over the past decade due to their high thermal oxidative resistance, high bandgap, catalytic activity, and low cost. The functional groups that terminate boron and nitrogen zigzag and/or armchair edges directly affect their chemical, physical, and electronic properties. However, an understanding of the molecular edge termination present in h-BNNS is lacking. Here, high-resolution magic-angle spinning (MAS) solid-state NMR (SSNMR) spectroscopy, and plane-wave density-functional theory (DFT) calculations are used to determine the molecular edge termination in exfoliated h-BNNS. 1 H → 11 B cross-polarization MAS (CPMAS) SSNMR spectra of h-BNNS revealed multiple hydroxyl/oxygen coordinated boron edge sites that were not detectable in direct excitation experiments. A dynamic nuclear polarization (DNP)-enhanced 1 H → 15 N CPMAS spectrum of h-BNNS displayed four distinct 15 N resonances while a 2D 1 H{ 14 N} dipolar-HMQC spectrum acquired with fast MAS revealed three distinct 14 N environments. Plane-wave DFT calculations were used to construct model edge structures and predict the corresponding 11 B, 14 N and 15 N SSNMR spectra. Comparison of the experimental and predicted SSNMR spectra confirms that zigzag and armchair edges with both amine and boron hydroxide/oxide termination are present. The detailed characterization of h-BNNS molecular edge termination will prove useful for many material science applications. The techniques outlined here should also be applicable to understand the molecular edge terminations in other 2D materials
Database, Features, and Machine Learning Model to Identify Thermally Driven Metal–Insulator Transition Compounds
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Identifying Order and Disorder in Double Four-Membered Rings via Raman Spectroscopy during Crystallization of LTA Zeolite
Fluoride (F – ) has been essential for the synthesis of low-defect siliceous zeolites. It has been hypothesized that F – balances the positive charges from organic structure-directing agents (OSDAs) and stabilizes key building units during zeolite crystallization such as the double four-membered ring (D4R). However, due to the lack of characterization techniques for investigating medium-range structures, including rings and cages formed during zeolite crystallization, the roles of F – in stabilizing building units and maintaining local charge balance during zeolite assembly are not yet fully understood. Here, the crystallization of siliceous Linde type A (LTA) zeolite in the presence of F – was investigated using Raman spectroscopy and periodic density functional theory (DFT) calculations. We have discovered that the F – -filled double four-membered ring (F – /D4R) and the empty D4R exhibit rather distinct Raman features. Both the F – /D4R and empty D4R are formed in the LTA zeolite synthesized in the presence of F – using 1,2-dimethyl-3-(4-methylbenzyl) imidazolium as the OSDA. Observed Raman bands of the F – /D4R and empty D4R, along with predictive DFT calculations on LTA supercells, reveal an ordered distribution of these two D4R units in the final as-made LTA zeolite. The discovery of these distinct Raman signatures of F – /D4R and empty D4R units opens an interesting new window for studying defects in the D4R during zeolite formation. In particular, we have observed variation in Raman intensities of F – /D4R and empty D4R bands during LTA crystallization; periodic DFT calculations indicate that the observed Raman behavior is consistent with empty D4R units containing one or two Si vacancies surrounded by Q 3 Si—consistent also with solid-state nuclear magnetic resonance measurement. These defects appear to heal during further crystallization, leading to the formation of defect-free LTA zeolite crystals. Altogether, our results provide deeper understanding on the roles of F – in charge balancing and stabilizing intact D4R units during zeolite formation.
Using Machine Learning To Identify Factors That Govern Amorphization of Irradiated Pyrochlores
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Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage
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Identifying Abandoned Well Sites Using Database Records and Aeromagnetic Surveys
Oil and natural gas are primary sources of energy in the United States. Improved drilling and extracting techniques have led to a renewed interest in historic oil and gas fields, but limited records of legacy wells make new drilling efforts more difficult, as abandoned wells may provide conduits for liquids and gases to migrate into groundwater reservoirs or the atmosphere. Well finding using aeromagnetic surveys pinpoints the location of steel-cased wells, detecting both active and abandoned wells, including buried casings lacking aboveground markers. Here, we present six aeromagnetic surveys conducted in Pennsylvania and Wyoming as case studies, comparing the magnetic points to locations known in databases. In all study sites, more magnetic points were detected than recorded in databases. Based on differences between theoretical database well counts and the actual number of wells detected in surveys, we estimated the total number of wells in Pennsylvania to be 395 000–466 000 and 181 000–182 000 in Wyoming. Extrapolating to the national level, in this work, we estimate the average number of wells in the continental United States is 6.04 ± 19.97 million wells with 1.16 ± 3.84 million of those designated as abandoned wells, within the range of previous abandoned well count estimations. Although aeromagnetic surveys are limited to detecting steel-cased wells and do not differentiate sites based on well status, this study nevertheless demonstrates the utility of aeromagnetic surveys in well finding efforts across the country and shows limitations in database records of oil and natural gas wells.
Identifying Waste Burning Plumes Using High-Resolution Satellite Imagery and Machine Learning: A Case Study in the Maldives
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Uranium Chemistry: Identifying the Next Frontiers
While uranium is the most extensively studied actinide in terms of chemical properties, there remains much to be explored about its fundamental chemistry. Organometallic and organoactinide chemistry first emerged in the 1950s with research that found inspiration from transition-metal chemistry with the synthesis and characterization of uranocene, expanding new opportunities for organoactinide chemistry. Since then, a significant amount of research has pursued many avenues characterizing the fundamental nature of the f orbitals and their modes of bonding as well as their potential in catalysis. Uranium(III/IV) arene complexes dominate much of uranium organometallic chemistry, with bonding interactions stabilized by δ-back-bonding. Recent additions to this area of chemistry include the first UI and new additions of U II organouranium compounds. Uranium–transition metal complexes are still rare and maintain U IV oxidation states, with variable bond lengths determining the transition-metal oxidation state. Resultant reactivities are discussed as synthetic complexes, and unique bonding and coordination motifs are highlighted. In conclusion, this Viewpoint will focus on significant developments in uranium chemistry from the last 15 years while considering key areas for future research.