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At least 1,333 records · Page 74

Constraining AGN Torus Sizes with Optical and Mid-infrared Ensemble Structure Functions

We propose a new method to constrain the size of the dusty torus in broad-line active galactic nuclei (AGNs) using optical and mid-infrared (MIR) ensemble structure functions (SFs). Because of the geometric dilution of the torus, the MIR response to optical continuum variations has suppressed variability with respect to the optical that depends on the geometry (e.g., size, orientation, opening angle) of the torus. More extended tori have steeper MIR SFs with respect to the optical SFs. We demonstrate the feasibility of this SF approach using simulated AGN light curves and a geometric torus model. While it is difficult to use SFs to constrain the orientation and opening angle due to the insensitivity of the SF on these parameters, the size of the torus can be well determined. Applying this method to the ensemble SFs measured for 587 SDSS quasars, we measure a torus R–L relation of $\mathrm{log}\,{R}_{\mathrm{eff}}(\mathrm{pc})={0.51}_{-0.04}^{+0.04}\times \mathrm{log}({{L}}_{\mathrm{bol}}/{10}^{46}\,\mathrm{erg}\ {{\rm{s}}}^{-1})-{0.38}_{-0.01}^{+0.01}$ in the WISE W1 band and sizes ~1.4 times larger in the W2 band, which are in good agreement with dust reverberation mapping measurements. Compared with the reverberation mapping technique, the SF method is much less demanding in data quality and can be applied to any optical+MIR light curves for which a lag measurement may not be possible, as long as the variability process and torus structure are stationary. While this SF method does not extract all information contained in the light curves (i.e., the transfer function), it provides an intuitive interpretation for the observed trends of AGN MIR SFs compared with optical SFs.

79 ASTRONOMY AND ASTROPHYSICS↗

Ultraviolet and optical spectrum studies of Lambda Andromedae - Evidence for atmospheric inhomogeneities

To pursue the study of solar phenomena in cool stars, chromospheric activity in Lambda Andromedae (HD 222107 has been investigated). This binary, whose primary star is G7-G8 IV-III, shows strong chromospheric emissions and is related to the RS CVn-type systems. The first quantitative measurements of chromospheric and solar-type transition-region emissions as a function of the variable starspot and active-region phenomena in an RS CVn star are presented. The presence of optically darker starspots in Lambda And coincides with the brightening of both Ca II K emission and the ultraviolet transition-region lines. The ultraviolet and optical spectra show attributes of starspots, active regions, and mass flow. Analogies to solar activity are successful in explaining these observations.

Baliunas, S. L.↗

Orbital operations study. Appendix A: Interactivity analysis

Supplemental analyses conducted to verify that safe, feasible, design concepts exist for accomplishing the attendant interface activities of the orbital operations mission are presented. The data are primarily concerned with functions and concepts common to more than one of the interfacing activities or elements. Specific consideration is given to state vector update, payload deployment, communications links, jet plume impingement, attached element operations, docking and structural interface assessment, and propellant transfer.

Source record↗

Pinning dislocations in colloidal crystals with active particles that seek stacking faults

There is growing interest in functional, adaptive devices built from colloidal subunits of micron size or smaller. A colloidal material with dynamic mechanical properties could facilitate such microrobotic machines. Here we study via computer simulation how active interstitial particles in small quantities can be used to modify the bulk mechanical properties of a colloidal crystal. Passive interstitial particles are known to pin dislocations in metals, thereby increasing resistance to plastic deformation. We extend this tactic by employing anisotropic active interstitials that travel super-diffusively and bind strongly to stacking faults associated with partial dislocations. We find that: (1) interstitials that are effective at reducing plasticity compromise between strong binding to stacking faults and high mobility in the crystal bulk. (2) Reorientation of active interstitials in the crystal depends upon rotational transitions between high-symmetry crystal directions. (3) The addition of certain active interstitial shapes at concentrations as low as 60 per million host particles (0.006%) can create a shear threshold for dislocation migration. This work demonstrates how active materials in a dense matrix can locally sense their environment and lead to bulk property changes.

36 MATERIALS SCIENCE↗

Instantiation of the Damara Tern Platform for Advanced Materials and Manufacturing Technologies (AMMT) Program Collaborative Data Management

This work package focused on deploying an instance of the Damara Tern platform to support AMMT collaborative research activities. The objectives were to provide selected AMMT collaborators with access to a shared environment for capturing operations, trackables, and associated metadata, and to implement data entry functionalities that reflect site-specific procedures. Key activities included creating configurable, schema-driven entry forms and validating the data collection process. The report details the deployment process, the platform infrastructure, and the implemented data entry workflows, providing a reference for end users and establishing a foundation for future production-scale deployments.

36 MATERIALS SCIENCE↗

Structural asymmetry governs the assembly and GTPase activity of McrBC restriction complexes

Abstract McrBC complexes are motor-driven nucleases functioning in bacterial self-defense by cleaving foreign DNA. The GTP-specific AAA + protein McrB powers translocation along DNA and its hydrolysis activity is stimulated by its partner nuclease McrC. Here, we report cryo-EM structures of Thermococcus gammatolerans McrB and McrBC, and E. coli McrBC. The McrB hexamers, containing the necessary catalytic machinery for basal GTP hydrolysis, are intrinsically asymmetric. This asymmetry directs McrC binding so that it engages a single active site, where it then uses an arginine/lysine-mediated hydrogen-bonding network to reposition the asparagine in the McrB signature motif for optimal catalytic function. While the two McrBC complexes use different DNA-binding domains, these contribute to the same general GTP-recognition mechanism employed by all G proteins. Asymmetry also induces distinct inter-subunit interactions around the ring, suggesting a coordinated and directional GTP-hydrolysis cycle. Our data provide insights into the conserved molecular mechanisms governing McrB family AAA + motors.

59 BASIC BIOLOGICAL SCIENCES↗

Reactivity and Mechanisms of Methane, Ethane, and Benzene C–H Amination with an Iodine(III) Bistriflimide Complex

The iodine(III) bistriflamide complex (C 6 F 5 ) III I(NTf 2 ) 2 in HNTf 2 (bistriflimide acid; (CF 3 SO 2 ) 2 NH) selectively aminates methane and ethane. At a 100 °C reaction with methane after 3 h, it resulted in the exclusive formation of MeNTf 2 with a yield of approximately 40%. For ethane, at 100 °C in 2 h, a > 80% yield was found for a combination of monofunctionalized and difunctionalized amination products. In contrast to alkanes giving functionalized products, the reaction of (C 6 F 5 ) III I(NTf 2 ) 2 with benzene resulted in being stalled at (C 6 F 5 )I III (Ph)(NTf 2 ) with a <5% conversion to PhNTf 2 even at 120 °C. PWPB95-D3(BJ) density functional theory calculations indicate that C–H activation is the lowest energy pathway to break the hydrocarbon bonds and is lower in energy than radical, electron-transfer, proton-coupled electron-transfer, or hydride substitution pathways. For methane, from the (C 6 F 5 )I III (CH 3 )(NTf 2 ) intermediate, there is a one-step amine functionalization mechanism that avoids a carbocation intermediate. For ethane, from the (C 6 F 5 )I III (Et)(NTf 2 ) intermediate, dynamics simulations suggest the possibility of a competitive two-step functionalization pathway that involves a short-lived carbocation intermediate. As a result, a reaction coordinate strain analysis provides a straightforward model for understanding the relative reactivity rates for alkyl versus aryl functionalization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dose-dependent consequences of sub-chronic fentanyl exposure on neuron and glial co-cultures

Fentanyl is one of the most common opioid analgesics administered to patients undergoing surgery or for chronic pain management. While the side effects of chronic fentanyl abuse are recognized (e.g., addiction, tolerance, impairment of cognitive functions, and inhibit nociception, arousal, and respiration), it remains poorly understood what and how changes in brain activity from chronic fentanyl use influences the respective behavioral outcome. Here, we examined the functional and molecular changes to cortical neural network activity following sub-chronic exposure to two fentanyl concentrations, a low (0.01 μM) and high (10 μM) dose. Primary rat co-cultures, containing cortical neurons, astrocytes, and oligodendrocyte precursor cells, were seeded in wells on either a 6-well multi-electrode array (MEA, for electrophysiology) or a 96-well tissue culture plate (for serial endpoint bulk RNA sequencing analysis). Once networks matured (at 28 days in vitro ), co-cultures were treated with 0.01 or 10 μM of fentanyl for 4 days and monitored daily. Only high dose exposure to fentanyl resulted in a decline in features of spiking and bursting activity as early as 30 min post-exposure and sustained for 4 days in cultures. Transcriptomic analysis of the complex cultures after 4 days of fentanyl exposure revealed that both the low and high dose induced gene expression changes involved in synaptic transmission, inflammation, and organization of the extracellular matrix. Collectively, the findings of this in vitro study suggest that while neuroadaptive changes to neural network activity at a systems level was detected only at the high dose of fentanyl, transcriptomic changes were also detected at the low dose conditions, suggesting that fentanyl rapidly elicits changes in plasticity.

59 BASIC BIOLOGICAL SCIENCES↗

Strong Proton‐Phonon Coupling Drives Fast Ion Transport in Perovskites

Conduction of protons in solids is a cooperative process propelled by phonons, with molecular details obscured by the irregular movements in the thermal bath. It is shown that substitution with Y forms an imaginary phonon mode, instrumental for the function as proton conductor and effectively lowering the activation barrier for proton transport. To untangle the interplay in the exemplary proton conductor BaSn 0.9 Y 0.1 O 3 , its crystallographic structure is determined with high resolution neutron diffractometry and its phonon density of states with density functional theory calculations, experimentally validated by element specific nuclear resonant vibration spectroscopy. Based on phonon analysis, a quantitative transport model is present, which predicts the activation energy and performance by the ratio of ionic radii. Rather than individual vibrational modes, it is the oxygen sub-lattice which exerts its momentum on the protons. The extent of this momentum transfer is governed by the ratio of ionic radii. This model extends the transition state theory by the phonon-phonon interaction and complements the previously proposed idea that lattice dynamics is decisive for proton transport and specifies which properties of the material exactly define the vibration properties.

activation barriers↗

The Vibrational Frequencies of CaO2, ScO2, and TiO2: A Comparison of Theoretical Methods

The vibrational frequencies of several states of CaO2, ScO2, and TiO2 are computed at using density functional theory (DFT), the Hatree-Fock approach, second order Moller-Plesset perturbation theory (MP2), and the complete-active-space self-consistent-field theory. Three different functionals are used in the DFT calculations, including two hybrid functionals. The coupled cluster singles and doubles approach including the effect of unlinked triples, determined using perturbation theory, is applied to selected states. The Becke-Perdew 86 functional appears to be the cost effective method of choice, although even this functional does not perform well for one state of CaO2. The MP2 approach is significantly inferior to the DFT approaches.

Rosi, Marzio↗

Symbiotic bacteriophages exhibit multiple adaptive strategies in activated sludge flocs and contribute to floc stability

Despite the importance of phages for the dynamics and functions of microbial communities, it remains largely unexplored how symbiotic phages adapt in activated sludge systems and influence microbial aggregate stability, which is critical for clarification and reliable performance. Here, based on 12,127 phage contigs recovered from 12 activated sludge microbiomes, the symbiotic phages exhibited broad host ranges and infected dominant prokaryotes in activated sludge. Moreover, these phage communities exhibited high lysogenicity (49% to 66% lysogenic phages) and harbored diverse auxiliary metabolic genes (AMGs) that could enhance microbial aggregate stability, such as genes coding for lipopolysaccharide, peptidoglycan, and extracellular polysaccharide biosynthesis. Additionally, prokaryotic antiviral systems were widely distributed in dominant prokaryotes, particularly the Restriction-Modification (RM) and CRISPR-Cas systems, which could mitigate potential harmful phage infections. Overall, this study reveals the contemporary beneficial relationship between phages and prokaryotic hosts in activated sludge microbiomes and the potential benefits of symbiotic phages on floc stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Physical Activity Types and Programs Recommended by Primary Care Providers Treating Adults With Arthritis, DocStyles 2018

Primary care providers (PCPs) can offer counseling to adults with arthritis on physical activity, which can reduce pain and improve physical function, mental health, and numerous other health outcomes. We analyzed cross-sectional 2018 DocStyles data for 1,366 PCPs who reported they always or sometimes recommend physical activity to adults with arthritis. Most PCPs sampled (88.2%) recommended walking, swimming, or cycling; 65.5% did not recommend any evidence-based, arthritis-appropriate physical activity programs recognized by the Centers for Disease Control and Prevention. Opportunities exist for public health awareness campaigns to educate PCPs about evidence-based physical activity programs proven to optimize health for adults with arthritis when more than counseling is needed.

60 APPLIED LIFE SCIENCES↗

Mn-53 and Al-26 evidence for solar cosmic ray constancy - An improved model for interpretation

A general, numerical method for calculating activities of solar cosmic ray produced radionuclides at any point within an irregularly shaped lunar rock of known surface contour and lunar surface orientation is described. This method is then used to predict the activities of Mn-53 andAl-26 as a function of postion within lunar rock 68815 for various assumed values of solar cosmic ray flux (J), rigidity (R sub 0), and rock erosion rate (ER). The predicted activities agree with the measured activities of Kohl et al. (1978) when values of R sub 0 = 100 MV, J = 70 p/sq cm-sec (4 pi, E greater than 10 MeV), ER not greater than 1 mm/m.y. and a total exposure time of 2 m.y. are assumed. These values are in agreement with those found for rocks exposed for not less than 10 m.y. and provide no evidence for variation of the average solar cosmic ray parameters between the last 2 and 10 m.y. intervals. When interpreted with the improved model the activity vs. depth profiles for three faces of 68815 show no evidence of SCR anisotropy or differential erosion.

Russ, G. P., III↗

Light-dependent hydrogen production by C. reinhardi

The activity of hydrogenase in nonsynchronous, photoheterotrophically grown cells of C. reinhardi is a function of culture age. Rapidly growing cultures (exponential phase) exhibit lower hydrogenase activity than early stationary phase cultures. During prolonged dark anaerobic incubation the hydrogenase activity attains a maximal value in two to five hours. The activity declines rapidly after three to four hours of anaerobic incubation unless the pH of the suspending medium is maintained above 6.0. In C. reinhardi the source of electrons for hydrogen photoproduction appears to be derived mainly from water oxidation. However, when the water-splitting complex of photosystem II is impaired by a mutational block, the organism can utilize intracellular organic reductants as substrate for H2 production in a light-dependent reaction involving both PSII and PSI. When photosynthetic electron transport is uncoupled from phosphorylation, a rate of 174 micromoles of hydrogen evolved per mg cells per hour is observed. This rate of hydrogen photoproduction corresponds to 76% of the reductant generating capacity of PSII under steady-state photosynthesis.

Lien, S.↗

Evaluation of a voice recognition system for the MOTAS pseudo pilot station function

The Langley Research Center has undertaken a technology development activity to provide a capability, the mission oriented terminal area simulation (MOTAS), wherein terminal area and aircraft systems studies can be performed. An experiment was conducted to evaluate state-of-the-art voice recognition technology and specifically, the Threshold 600 voice recognition system to serve as an aircraft control input device for the MOTAS pseudo pilot station function. The results of the experiment using ten subjects showed a recognition error of 3.67 percent for a 48-word vocabulary tested against a programmed vocabulary of 103 words. After the ten subjects retrained the Threshold 600 system for the words which were misrecognized or rejected, the recognition error decreased to 1.96 percent. The rejection rates for both cases were less than 0.70 percent. Based on the results of the experiment, voice recognition technology and specifically the Threshold 600 voice recognition system were chosen to fulfill this MOTAS function.

Houck, J. A.↗

Assessing the stability of Pd-exchanged sites in zeolites with the aid of a high throughput quantum chemistry workflow

Abstract Cation exchanged-zeolites are functional materials with a wide range of applications from catalysis to sorbents. They present a challenge for computational studies using density functional theory due to the numerous possible active sites. From Al configuration, to placement of extra framework cation(s), to potentially different oxidation states of the cation, accounting for all these possibilities is not trivial. To make the number of calculations more tractable, most studies focus on a few active sites. We attempt to go beyond these limitations by implementing a workflow for a high throughput screening, designed to systematize the problem and exhaustively search for feasible active sites. We use Pd-exchanged CHA and BEA to illustrate the approach. After conducting thousands of explicit DFT calculations, we identify the sites most favorable for the Pd cation and discuss the results in detail. The high throughput screening identifies many energetically favorable sites that are non-trivial. Lastly, we employ these results to examine NO adsorption in Pd-exchanged CHA, which is a promising passive NO x adsorbent (PNA) during the cold start of automobiles. The results shed light on critical active sites for NO x capture that were not previously studied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Autonomous Control System for an Intra-Vehicular Spacecraft Mobile Monitor Prototype

This paper presents an overview of an ongoing research and development effort at the NASA Ames Research Center to create an autonomous control system for an internal spacecraft autonomous mobile monitor. It primary functions are to provide crew support and perform intra- vehicular sensing activities by autonomously navigating onboard the International Space Station. We describe the mission roles and high-level functional requirements for an autonomous mobile monitor. The mobile monitor prototypes, of which two are operational and one is actively being designed, physical test facilities used to perform ground testing, including a 3D micro-gravity test facility, and simulators are briefly described. We provide an overview of the autonomy framework and describe each of its components, including those used for automated planning, goal-oriented task execution, diagnosis, and fault recovery. A sample mission test scenario is also described.

Dorais, Gregory A.↗