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At least 415 records · Page 23

The Signature C=C=O Stretch of Propenylketenes and Ketene Clusters [Book Chapter]

A combined experimental and theoretical approach has been used to examine the signature antisymmetric C=C=O stretch of prop-1-enylketene and prop-2-enylketene, as well as a series of ketene multimers and hydrates. Optimization and frequency calculations executed at the B3LYP/6-311G++(d,p) level of theory reveal four conformers of prop-1-enylketene and three conformers of prop-2-enylketene. These ketenes were generated via the pyrolysis of 3-pentenoic anhydride and 4-pentenoic anhydride, respectively, and isolated in low-temperature argon matrices prior to FTIR analysis. The resultant spectra display several bands consistent with B3LYP predictions. A similar computational and experimental survey of ketene multimers and hydrates, generated by the pyrolysis of acetic anhydride, has generated a list of frequencies for the antisymmetric C=C=O stretching mode. Furthermore, the results provide useful benchmarks for identification of propenylketenes in future experiments as well as insight for assigning other substituted ketenes in infrared spectra.

02 PETROLEUM↗

Resurrecting hot dark matter - Large-scale structure from cosmic strings and massive neutrinos

These are the results of a numerical simulation of the formation of large-scale structure from cosmic-string loops in a universe dominated by massive neutrinos (hot dark matter). This model has several desirable features. The final matter distribution contains isolated density peaks embedded in a smooth background, producing a natural bias in the distribution of luminous matter. Because baryons can accrete onto the cosmic strings before the neutrinos, the galaxies will have baryon cores and dark neutrino halos. Galaxy formation in this model begins much earlier than in random-phase models. On large scales the distribution of clustered matter visually resembles the CfA survey, with large voids and filaments.

Scherrer, Robert J.↗

Identification and properties of isolated field elliptical galaxies from CFHTLS-W1

We present a catalogue of isolated field elliptical (IfE) galaxies drawn from the W1 field of the Canada-France-Hawaii Telescope Legacy Survey (CFHTLS). 228 IfEs were identified from a flux-limited (r < 21.8) galaxy catalogue which corresponds to a density of 3 IfE/sq.deg. For comparison we consider a sample of elliptical galaxies living in dense environments, based on identification of the brightest cluster galaxies (BGCs) in the same survey. Using the same dataset for the comparison sample ensures a uniform selection, including in the redshift range as IfEs (i.e. 0.1 < z <0.9). A comparison of elliptical galaxies in different environments reveals that IfEs and BCGs have similar behaviours in their colours, star formation activities, and scaling relations of mass–size and size–luminosity. IfEs and BCGs have similar slopes in the scaling relations with respect to cluster ellipticals within the $ -24 \leq M_{r} \leq -22 $ magnitude and $10.2 < \textrm{log}(M_{*}/ \textrm M_\odot)\leq12.0 $ mass ranges. Three IfEs identified in this study can be associated with fossil groups found in the same survey area which gives clues for future studies.

79 ASTRONOMY AND ASTROPHYSICS↗

Evolution of wide binary millisecond pulsars in globular clusters

The evolution of a binary radio pulsar in a wide orbit about a low-mass degenerate dwarf companion in a globular cluster environment is investigated. An extensive series of numerical scattering experiments is used to study encounters between such a pulsar and passing cluster field stars. A wide range of initial orbital periods from 3 to 1000 days is considered with a corresponding range of masses for the degenerate dwarf companions. The calculative results are summarized in the form of scattering cross sections. In particular, cross sections are presented for three final 'channels' in which the end product of the encounter is an isolated neutron star. Cross sections for inducing various orbital eccentricities into initially circular orbits are also derived. The implications of the results for the formation of the single millisecond pulsars in M28 and M15 and for the nearly circular obit of the M4 binary radio pulsar are discussed.

Rappaport, S.↗

Erratum to: Soft- and reactive landing of ions onto surfaces: concepts and applications

Soft- and reactive landing of mass-selected ions is gaining attention as a promising approach for the precisely-controlled preparation of materials on surfaces that are not amenable to deposition using conventional methods. A broad range of ionization sources and mass filters are available that make ion soft-landing a versatile tool for surface modification using beams of hyperthermal (<100?eV) ions. The ability to select the mass-to-charge ratio of the ion, its kinetic energy and charge state, along with precise control of the size, shape, and position of the ion beam on the deposition target distinguishes ion soft landing from other surface modification techniques. Soft- and reactive landing have been used to prepare interfaces for practical applications as well as precisely-defined model surfaces for fundamental investigations in chemistry, physics, and materials science. For instance, soft- and reactive landing have been applied to study the surface chemistry of ions isolated in the gas-phase, prepare arrays of proteins for high-throughput biological screening, produce novel carbon-based and polymer materials, enrich the secondary structure of peptides and the chirality of organic molecules, immobilize electrochemically-active proteins and organometallics on electrodes, create thin films of complex molecules, and immobilize catalytically active organometallics as well as ligated metal clusters. In addition, soft landing has enabled investigation of the size-dependent behavior of bare metal clusters in the critical subnanometer size regime where chemical and physical properties do not scale predictably with size. The morphology, aggregation, and immobilization of larger bare metal nanoparticles, which are directly relevant to the design of catalysts as well as improved memory and electronic devices, have also been studied using ion soft landing. This review article begins in section 1 with a brief introduction to the existing applications of ion soft- and reactive landing. Section 2 provides an overview of the ionization sources and mass filters that have been used to date for soft landing of mass-selected ions. A discussion of the competing processes that occur during ion deposition as well as the types of ions and surfaces that have been investigated follows in section 3. Section 4 discusses the physical phenomena that occur during and after ion soft landing, including retention and reduction of ionic charge along with factors that impact the efficiency of ion deposition. The influence of soft landing on the secondary structure and biological activity of complex ions is addressed in section 5. Lastly, an overview of the structure and mobility as well as the catalytic, optical, magnetic, and redox properties of bare ionic clusters and nanoparticles deposited onto surfaces is presented in section 6. © 2015 Wiley Periodicals, Inc. Mass Spec Rev 35:439–479, 2016.

Johnson, Grant E.↗

Clusters of DNA damage induced by ionizing radiation: formation of short DNA fragments. II. Experimental detection

The basic 30-nm chromatin fiber in the mammalian cell consists of an unknown (possibly helical) arrangement of nucleosomes, with about 1.2 kb of DNA per 10-nm length of fiber. Track-structure considerations suggest that interactions of single delta rays or high-LET particles with the chromatin fiber might result in the formation of multiple lesions spread over a few kilobases of DNA (see the accompanying paper: W.R. Holley and A. Chatterjee, Radiat. Res. 145, 188-199, 1996). In particular, multiple DNA double-strand breaks and single-strand breaks may form. To test this experimentally, primary human fibroblasts were labeled with [3H]thymidine and exposed at 0 degrees C to X rays or accelerated nitrogen or iron ions in the LET range of 97-440 keV/microns. DNA was isolated inside agarose plugs and subjected to agarose gel electrophoresis under conditions that allowed good separation of 0.1-2 kb size DNA. The bulk of DNA remained in the well or migrated only a small distance into the gel. It was found that DNA fragments in the expected size range were formed linearly with dose with an efficiency that increased with LET. A comparison of the yield of such fragments with the yield of total DNA double-strand breaks suggests that for the high-LET ions a substantial proportion (20-90%) of DNA double-strand breaks are accompanied within 0.1-2 kb by at least one additional DNA double-strand break. It is shown that these results are in good agreement with theoretical calculations based on treating the 30-nm chromatin fiber as the target for ionizing particles. Theoretical considerations also predict that the clusters will contain numerous single-strand breaks and base damages. It is proposed that such clusters be designated "regionally multiply damaged sites." Postirradiation incubation at 37 degrees C resulted in a decline in the number of short DNA fragments, suggesting a repair activity. The biological significance of regionally multiply damaged sites is presently unknown.

Non-NASA Center↗

Nonequilibrium design strategies for functional colloidal assemblies

Here, we use a nonequilibrium variational principle to optimize the steady-state, shear-induced interconversion of self-assembled nanoclusters of DNA-coated colloids. Employing this principle within a stochastic optimization algorithm allows us to identify design strategies for functional materials. We find that far-from-equilibrium shear flow can significantly enhance the flux between specific colloidal states by decoupling trade-offs between stability and reactivity required by systems in equilibrium. For isolated nanoclusters, we find nonequilibrium strategies for amplifying transition rates by coupling a given reaction coordinate to the background shear flow. We also find that shear flow can be made to selectively break detailed balance and maximize probability currents by coupling orientational degrees of freedom to conformational transitions. For a microphase consisting of many nanoclusters, we study the flux of colloids hopping between clusters. We find that a shear flow can amplify the flux without a proportional compromise on the microphase structure. This approach provides a general means of uncovering design principles for nanoscale, autonomous, functional materials driven far from equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Chemist’s Guide to Solid-State Qubits: Diamond Color Centers as Embedded Vacancy-Centered Molecules

Diamond point defects or color centers are at the crux of solid-state quantum technology applications, from computing to sensing. Modeling molecular qubits has advanced by leaps and bounds mainly due to the advanced quantum mechanical (QM) tools in the arsenal of quantum chemists for modeling (isolated) molecular systems, which should be easily translatable for analogous systems in the solid state. Here, we simulate a series of diamond defects: a carbon vacancy (V C ) and second row substitutions that are adjacent to a V C or D C V C , with D = B, N, and O, to evaluate their magnetic and optical properties. We applied molecular orbital principles, an embedded cluster method, and a multiconfigurational QM theory to computationally characterize the above-mentioned defects for a multitude of spin, charge, and excited states. Our computational approach delivered high-quality QM insights that compare well with experiments. Furthermore, with this framework, we confirm the spin-triplets B C V C – and O C V C 0 to be analogous to N C V C – , with calculated bright transitions that respectively correspond to UV (3.80 eV) and blue (2.65 eV) light absorption and emission lifetimes (τ) of 2.3 and 5.6 ns, which are higher in energy and more short-lived (and thus brighter) than that for N C V C – : green (2.26 eV), τ = 9.5 ns.

Martirez, John Mark P. [Princeton Plasma Physics L↗

Optical observations of NGC 2915: A nearby blue compact dwarf galaxy

This paper presents B and R band Charge Coupled Device (CCD) images and medium resolution spectroscopy of NGC 2915, a relatively isolated BCD (blue compact dwarf) galaxy at a distance of approximately 5 Mpc. NGC 2915 contains two stellar populations: a high surface brightness blue core population and a red diffuse population. The core population contains all of the H II, and numerous embedded objects. It is the locus of current high mass star formation. The brightest embedded objects are likely to be young ionizing clusters, while many of the fainter objects are likely to be individual supergiant stars with masses up to approximately 25 solar mass, or blends of a few such stars. Curious aligned structures on the SE side of the galaxy are seen and their nature discussed. The spectrum of the core is dominated by bright narrow emission lines like that of a high excitation and low metallicity (less than half solar) H II region. The continuum is flat, with Balmer and Ca II features seen in absorption. The velocity of the Ca II features suggest contamination by galactic interstellar absorption. There is a significant velocity gradient in the spectra, probably indicative of rotation. Outside of its core, NGC 2915 resembles a dE (dwarf elliptical) galaxy, in that it has an exponential surface brightness profile, is red ((B-R)(sub 0) = 1.65), and has a low extrapolated central surface brightness (B(0)(sub c) = 22.44). NGC 2915's properties are compared with other BCDs, concentrating on two morphologically similar BCDs that are near enough to resolve into stars: NGC 1705 and NGC 5253. It is noted that the presence of winds in BCDs invalidates closed box chemical evolution models and the remaining constraints on star formation duration are relatively weak. Some BCDs, including NGC 2915, may be able to maintain their present star formation rate for Gyr time scales. This suggests that the overall evolution of these BCDs may be much slower than the approximately 10 Myr burst time scales commonly quoted. However, shortly after the formation of a massive (10(exp 6) solar mass) cluster a BCD will have all the properties of strong starburst galaxy).

Meurer, G. R.↗

NASA Tech Briefs, May 2009

Topics covered include: Valve-"Health"-Monitoring System; Microstrip Antenna for Remote Sensing of Soil Moisture and Sea Surface Salinity; Biomedical Wireless Ambulatory Crew Monitor; Wireless Avionics Packet to Support Fault Tolerance for Flight Applications; Aerobot Autonomy Architecture; Submillimeter Confocal Imaging Active Module; Traveling-Wave Maser for 32 GHz; System Synchronizes Recordings from Separated Video Cameras; Piecewise-Planar Parabolic Reflectarray Antenna; Reducing Interference in ATC Voice Communication; EOS MLS Level 1B Data Processing, Version 2.2; Auto-Generated Semantic Processing Services; Geospatial Authentication; Maneuver Automation Software; Event Driven Messaging with Role-Based Subscriptions; Estimating Relative Positions of Outer-Space Structures; Fabricating PFPE Membranes for Capillary Electrophoresis; Linear Actuator Has Long Stroke and High Resolution; Installing a Test Tap on a Metal Battery Case; Fabricating PFPE Membranes for Microfluidic Valves and Pumps; Room-Temperature-Cured Copolymers for Lithium Battery Gel Electrolytes; Catalysts for Efficient Production of Carbon Nanotubes; Amorphous Silk Fibroin Membranes for Separation of CO2; "Zero-Mass" Noninvasive Pressure Transducers; Radial-Electric-Field Piezoelectric Diaphragm Pumps; Ejector-Enhanced, Pulsed, Pressure-Gain Combustor; Suppressing Ghost Diffraction in E-Beam-Written Gratings; Target-Tracking Camera for a Metrology System; Polarimetric Imaging using Two Photoelastic Modulators; Miniature Wide-Angle Lens for Small-Pixel Electronic Camera; Modal Filters for Infrared Interferometry; Mo(3)Sb(7-x)Te(x) for Thermoelectric Power Generation; Two-Dimensional Quantum Model of a Nanotransistor; Scanning Miniature Microscopes without Lenses; Manipulating Neutral Atoms in Chip-Based Magnetic Traps; Expansion Compression Contacts for Thermoelectric Legs; Processing Electromyographic Signals to Recognize Words; Physical Principle for Generation of Randomness; DSN Beowulf Cluster-Based VLBI Correlator; Hybrid NN/SVM Computational System for Optimizing Designs; Criteria for Modeling in LES of Multicomponent Fuel Flow; Computerized Machine for Cutting Space Shuttle Thermal Tiles; Orbiting Depot and Reusable Lander for Lunar Transportation; FPGA-Based Networked Phasemeter for a Heterodyne Interferometer; Aquarius Digital Processing Unit; Three-Dimensional Optical Coherence Tomography; Benchtop Antigen Detection Technique using Nanofiltration and Fluorescent Dyes; Isolation of Precursor Cells from Waste Solid Fat Tissue; Identification of Bacteria and Determination of Biological Indicators; Further Development of Scaffolds for Regeneration of Nerves; Chemically Assisted Photocatalytic Oxidation System; Use of Atomic Oxygen for Increased Water Contact Angles of Various Polymers for Biomedical Applications; Crashworthy Seats Would Afford Superior Protection; Open-Access, Low-Magnetic-Field MRI System for Lung Research; Microfluidic Mixing Technology for a Universal Health Sensor; Microfluidic Extraction of Biomarkers using Water as Solvent; Microwell Arrays for Studying Many Individual Cells; Droplet-Based Production of Liposomes; and Identifying and Inactivating Bacterial Spores

Source record↗

Cosmological cross-correlations and nearest neighbour distributions

ABSTRACT Cross-correlations between data sets are used in many different contexts in cosmological analyses. Recently, k-nearest neighbour cumulative distribution functions (kNN-CDF) were shown to be sensitive probes of cosmological (auto) clustering. In this paper, we extend the framework of NN measurements to describe joint distributions of, and correlations between, two data sets. We describe the measurement of joint kNN-CDFs, and show that these measurements are sensitive to all possible connected N-point functions that can be defined in terms of the two data sets. We describe how the cross-correlations can be isolated by combining measurements of the joint kNN-CDFs and those measured from individual data sets. We demonstrate the application of these measurements in the context of Gaussian density fields, as well as for fully non-linear cosmological data sets. Using a Fisher analysis, we show that measurements of the halo-matter cross-correlations, as measured through NN measurements are more sensitive to the underlying cosmological parameters, compared to traditional two-point cross-correlation measurements over the same range of scales. Finally, we demonstrate how the NN cross-correlations can robustly detect cross-correlations between sparse samples – the same regime where the two-point cross-correlation measurements are dominated by noise.

79 ASTRONOMY AND ASTROPHYSICS↗

Single-nuclei transcriptome analysis of IgM+ cells isolated from channel catfish (Ictalurus punctatus) spleen

Catfish production is the primary aquaculture sector in the United States, and the key cultured species is channel catfish (Ictalurus punctatus). The major causes of production losses are pathogenic diseases, and the spleen, an important site of adaptive immunity, is implicated in these diseases. To examine the channel catfish immune system, single-nuclei transcriptomes of sorted and captured IgM + cells were produced from adult channel catfish. Three channel catfish (~1 kg) were euthanized, the spleen dissected, and the tissue dissociated. The lymphocytes were isolated using a Ficoll gradient and IgM + cells were then sorted with flow cytometry. The IgM + cells were lysed and single-nuclei libraries generated using a Chromium Next GEM Single Cell 3’ GEM Kit and the Chromium X Instrument (10x Genomics) and sequenced with the Illumina NovaSeq X Plus sequencer. The reads were aligned to theI. punctatusreference assembly (Coco_2.0) using Cell Ranger, and normalization, cluster analysis, and differential gene expression analysis were carried out with Seurat. Across the three samples, approximately 753.5 million reads were generated for 18,686 cells. After filtering, 10,637 cells remained for the cluster analysis. The cluster analysis identified 16 clusters which were classified as B cells (10,276), natural killer-like (NK-like) cells (178), T cells or natural killer cells (45), hematopoietic stem and progenitor cells (HSPC)/megakaryocytes (MK) (66), myeloid/epithelial cells (40), and plasma cells (32). The B cell clusters were further defined as different populations of mature B cells, cycling B cells, and plasma cells. The plasma cells highly expressedighmand we demonstrated that the secreted form of the transcript was largely being expressed by these cells. This atlas provides insight into the gene expression of IgM + immune cells in channel catfish. The atlas is publicly available and could be used garner more important information regarding the gene expression of splenic immune cells.

Immunology↗

Utility of correlation techniques in gravity and magnetic interpretation

Two methods of quantitative combined analysis, internal correspondence and clustering, are presented. Model studies are used to illustrate implementation and interpretation procedures of these methods, particularly internal correspondence. Analysis of the results of applying these methods to data from the midcontinent and a transcontinental profile show they can be useful in identifying crustal provinces, providing information on horizontal and vertical variations of physical properties over province size zones, validating long wave-length anomalies, and isolating geomagnetic field removal problems. Thus, these techniques are useful in considering regional data acquired by satellites.

Chandler, V. W.↗

Characterization, Structure, and Reactivity of Hydroxyl Groups on Metal‐Oxide Cluster Nodes of Metal–Organic Frameworks: Structural Diversity and Keys to Reactivity and Catalysis

Among the most stable metal–organic frameworks (MOFs) are those incorporating nodes that are metal oxide clusters with frames such as Zr 6 O 8 . This review is a summary of the structure, bonding, and reactivity of MOF node hydroxyl groups, emphasizing those bonded to nodes containing aluminum and zirconium ions. Hydroxyl groups are often present on these nodes, sometimes balancing the charges of the metal ions. They arise during MOF syntheses in aqueous media or in post-synthesis treatments. They are identified with infrared and 1 H nuclear magnetic resonance spectroscopies and characterized by their reactivities with polar compounds such as alcohols. Terminal OH, paired µ 2 -OH, and aqua groups on nodes are catalytic sites in numerous reactions. Relatively unreactive hydroxyl groups (such as isolated µ 2 -OH groups) may replace reactive groups and inhibit catalysis; some node hydroxyl groups (e.g., µ 3 -OH) are mere spectators in catalysis. There are similarities between MOF node hydroxyl groups and those on the surfaces of bulk metal oxides, zeolites, and enzymes, but the comparisons are mostly inexact, and much remains to be understood about MOF node hydroxyl group chemistry. It is posited that understanding and controlling this chemistry will lead to tailored MOFs and improved adsorbents and catalysts.

36 MATERIALS SCIENCE↗

Outflows, Jets and Shocks in the Orion Nebula

The rich young cluster of stars associated with the Orion Nebula provides a unique laboratory for the study of plasma phenomena. We see five types of flows and shocks. Photoablation outflow from the proplyds nearest theta (exp 1) Ori C form nearly stationary shocks with the high velocity wind from that star. Microjets, with scales of less than 10 (exp 4) AU, are seen around some 20 low mass stars. Isolated jets, with high velocities and scales of about, 104 AU, are less numerous but common. One also sees the shocks formed when these jets impinge on the ionized nebular gas and the neutral gas in the foreground lid. The final type of object is the stationary shock formed by the interaction from the stellar wind that arises during disk formation with the ambient, gas flowing away from the main body of the nebula.

ODell, C. R.↗

Molecular Models of Atomically Dispersed Uranium at MoS 2 Surfaces Reveal Cooperative Mechanism of Water Reduction

Single atoms of uranium supported on molybdenum sulfide surfaces (U@MoS 2 ) have been recently demonstrated to facilitate the hydrogen evolution reaction (HER) through electrocatalysis. Theoretical calculations have predicted uranium hydroxide moieties bound to edge-sulfur atoms of MoS 2 as a proposed transition state involved in the HER process. However, the isolation of relevant intermediates involved in this process remains a challenge, rendering mechanistic hypotheses unverified. The present work describes the isolation and characterization of a uranium-hydroxide intermediate on molybdenum sulfide surfaces using [(Cp* 3 Mo 3 S 4 )UCp*], a molecular model of a reduced uranium center supported at MoS 2 . Mechanistic investigations highlight the metalloligand cooperativity with uranium involved in the water activation pathway. The corresponding uranium-oxo analogue, [(Cp* 3 Mo 3 S 4 )Cp*U(═O)], was also accessed from the hydroxide cluster via hydrogen atom transfer and from [(Cp* 3 Mo 3 S 4 )UCp*] through an alternative direct oxygen atom transfer. These results provide an atomistic perspective on the reactivity of low-valent uranium at molybdenum sulfide surfaces toward water, modeling key intermediates associated with the HER of U@MoS 2 catalysts.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Electrical Resistivity Changes During Heating Experiments Unravel Heterogeneous Thermal‐Hydrological‐Mechanical Processes in Salt Formations

Abstract Rock salt is considered a suitable medium for the permanent disposal of heat‐generating radioactive waste due to its isolation properties. However, excavation damage and heating induce complex and heterogeneous thermal‐hydrological‐mechanical (THM) processes across different zones. Quantifying this heterogeneity is crucial for accurate long‐term performance assessment models, but traditional methods lack the necessary resolution. This study employs 4D electrical resistivity tomography (ERT) monitoring during controlled heating experiments in a salt formation to unravel the spatiotemporal dynamics of THM processes. Advanced time‐lapse inversion and clustering analysis quantify subsurface properties and map the heterogeneity of THM dynamics. The ERT results can estimate subsurface properties and delineate the damaged and intact zones, enabling appropriate parameterization and representation of processes for long‐term modeling. This approach may be used in further improving the predictive models and ensuring the safe long‐term disposal of radioactive waste in rock salt.

58 GEOSCIENCES↗

Axoglial contacts in the area postrema of the cat - An ultrastructural study

Axoglial contacts were observed in an ultrastructural study of the area postrema of the cat. According to the disposition of the electron-dense projections attached to the adjoining membranes these contacts were classified as symmetrical or asymmetrical. The axon profiles contained aggregations of clear vesicles randomly distributed or grouped in clusters adjacent to the electron-dense projections. Dense core vesicles were occasionally seen. The neuroglial profiles were either astrocytic or ependymoglial in nature. The astrocytes showed a clear cytoplasm, polymorphous vesicles, mitochondria, glycogen granules, and bundles of filaments. The ependymal cells, in contrast, had a more electron-dense and granular appearance, tubular structures, irregular vesicular formations, profiles of smooth reticuloendoplasm, and filaments grouped in bundles or isolated in the cytoplasm. The possibility that these contacts might play a role in the chemical transfer from neurons to glial cells is discussed on the basis of existing biochemical data.

Damelio, Fernando E.↗