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At least 433 records · Page 24

The correlation function of flux-limited X-ray clusters

We show that the spatial correlation function of a flux-limited sample of X-ray-selected clusters of galaxies will exhibit a correlation scale that is smaller than the correlation scale of a volume-limited, richness-limited sample of comparable apparent spatial density. The flux-limited sample contains clusters of different richnesses at different distances: poor groups are found nearby and rich clusters at greater distances. Since the cluster correlation strength is known to increase with richness, the flux-limited sample averages over the correlations of poor and rich clusters. On the other hand, a volume-limited, richness-limited sample has a minimum richness threshold, and a constant mixture of richnesses with redshift. Using the observed correlation scale for rich (R greater than or equal to 1) clusters, r(sub 0)(R greater than or equal to 1) = 21 +/- 2 Mpc/h, that was determined from previous volume-limited studies, we derive for the Roentgen Satellite (ROSAT) flux-limited X-ray cluster sample r(sub 0) (flux-limited) approximately equals 14 Mpc/h, in agreement with the recently observed value of 13.7 +/- 2.3 Mpc/h.

Bahcall, Neta A.↗

Comparison of the Microbial Diversity and Abundance Between the Freshwater Land-Locked Lakes of Schirmacher Oasis and the Perennially Ice-Covered Lake Untersee in East Antarctica

Extreme conditions such as low temperature, dryness, and constant UV-radiation in terrestrial Antarctica are limiting factors of the survival of microbial populations. The objective of this study was to investigate the microbial diversity and enumeration between the open water lakes of Schirmacher Oasis and the permanently ice-covered Lake Untersee. The lakes in Schirmacher Oasis possessed abundant and diverse group of microorganisms compared to the Lake Untersee. Furthermore, the microbial diversity between two lakes in Schirmacher Oasis (Lake L27C and L47) was compared by culture-based molecular approach. It was determined that L27Chad a richer microbial diversity representing 5 different phyla and 7 different genera. In contrast L47 consisted of 4 different phyla and 6 different genera. The difference in microbial community could be due to the wide range of pH between L27C (pH 9.1) and L47 (pH 5.7). Most of the microbes isolated from these lakes consisted of adaptive biological pigmentation. Characterization of the microbial community found in the freshwater lakes of East Antarctica is important because it gives a further glimpse into the adaptation and survival strategies found in extreme conditions.

Huang, Jonathan↗

Discovery of Activities via Statistical Clustering of Fixation Patterns

Human behavior often consists of a series of distinct activities, each characterized by a unique signature of visual behavior. This is true even in a restricted domain, such as piloting an aircraft, where patterns of visual signatures might represent activities like communicating, navigating, and monitoring. We propose a novel analysis method for gaze-tracking data, to perform blind discovery of these activities based on their behavioral signatures. The method is in some respects similar to recurrence analysis, but here we compare not individual fixations, but groups of fixations aggregated over a fixed time interval. The duration of this interval is a parameter that we will refer to as τ. We assume that the environment has been divided into a set of N different areas-of-interest (AOIs). For a given interval of time of duration τ, we compute the proportion of time spent fixating each AOI, resulting in an N-dimensional vector. These proportions can be converted to counts by multiplying by τ divided by the average fixation duration (another parameter that we fix at 280 milliseconds). We compare different intervals by computing the chi-square statistic. The p-value associated with the statistic is the likelihood of observing the data under the hypothesis that the data in the two intervals were generated by a single process with a single set of probabilities governing the fixation of each AOI. We have investigated the method using a set of 10 synthetic "activities," that sample 4 AOIs. Four of these activities visit 3 of the 4 AOIs, with equal probability; as there are four different ways to leave-one- out, there are four such activities. Similarly, there are six different activities that leave-two-out. Sequences of simulated behavior were generated by running each activity for 40 seconds, in sequence, for a total of 6.7 minutes. The figure to the right shows the matrix of chi-square statistics, using a value of 2.8 seconds for τ, corresponding to 10 fixations. Low values (dark) indicate poor evidence for activity differences, while high values (bright) indicate strong evidence. The dark squares along the main diagonal each correspond to the forty second intervals in which the activity was held constant; the 4x4 block at the lower left corresponds to the four leave-one-out activities, while the 6x6 block in the upper right corresponds to the leave-two-out activities. (The anti-diagonal pattern of white squares indicates those activity pairs that share no AOIs.) The chi-square values can be binarized by choosing a particular significance level; we are interested in grouping bins that represent the same activity, effectively accepting the null hypothesis. Therefore, we may adopt a relatively lax criterion; for example, choosing a p-value of 0.2 means that two behaviors that have only a 1-in-5 chance of being produced by a single activity might nevertheless be clustered together. We have explored several methods to perform clustering on the data and solving for the activity probabilities. Greedy methods begin by selecting the time bin that is similar to the most (or least) other bins, and then forming a cluster from it and all other non-discriminable bins. These methods show mediocre performance, as they do not take into account temporal contiguity. Preliminary results indicate that methods that "grow" clusters in time from seed points perform better.

activity analysis↗

Electron–Nucleus Hyperfine Coupling Calculated from Restricted Active Space Wavefunctions and an Exact Two-Component Hamiltonian

Exact two-component (X2C) relativistic nuclear hyperfine magnetic field operators were incorporated in X2C ab-initio wavefunction calculations at the multi-reference restricted active space (RAS) level for calculations of nuclear hyperfine magnetic properties. Spin-orbit coupling was treated via RAS state interaction (SO-RASSI). The method was tested by calculations of electron – nucleus hyperfine coupling constants. The approach, implemented in the OpenMolcas program, overcomes a major limitation of a previous SO-RASSI implementation for hyperfine coupling that relied on non-relativistic hyperfine operators [J. Chem. Theor. Comput. 2015, 11, 538–549] and therefore had only limited applicability. Furthermore, results from calculations on systems with light and heavy main group elements, transition metals, lanthanides, and one actinide complex, demonstrate reasonably good agreement with experimental data, where available, as long as the active space can generate sufficient spin polarization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improving the estimate of higher-order moments from lidar observations near the top of the convective boundary layer

Abstract. Ground-based lidar data have proven extremely useful for profiling the convective boundary layer (CBL). Many groups have derived higher-order moments (e.g., variance, skewness, fluxes) from high-temporal-resolution lidar data using an autocovariance approach. However, these analyses are highly uncertain near the CBL top when the depth of the CBL (zi) is changing during the analysis period. This is because the autocovariance approach is usually applied to constant height levels and the character of the eddies is changing on either side of the changing CBL top. Here, a new approach is presented wherein the autocovariance analysis is performed on a normalized height grid, with a temporally smoothed zi. Output from a large eddy simulation model demonstrates that deriving higher-order moments from time series on a normalized height grid has better agreement with the slab-averaged quantities than the moments derived from the original height grid.

Rosenberger, Tessa E. (ORCID:0000000333205873)↗

Ubiquitous interstellar diamond and SiC in primitive chondrites - Abundances reflect metamorphism

It is shown here that interstellar diamond and SiC were incorporated into all groups of chondrite meteorites. Abundances rapidly go to zero with increasing metamorphic grade, suggesting that metamorphic destruction is responsible for the apparent absence of these grains in most chondrites. In unmetamorphosed chondrites, abundances normalized to matrix content are similar for different classes. Diamond samples from chondrites of different classes have remarkably similar noble-gas constants and isotropic compositions, although constituent diamonds may have come from many sources. SiC seems to be more diverse, partly because grains are large enough to measure individually, but average characteristics seem to be similar from meteorite to meteorite. These observations suggest that various classes of chondritic meteorites sample the same solar system-wide reservoir of interstellar grains.

Huss, Gary R.↗

Design of a resistive exercise device for use on the Space Shuttle

The National Aeronautics and Space Administration in conjunction with the Universities Space Research Association sponsored the design of a Resistive Exercise Device (RED) for use on the Space Shuttle. The device must enable the astronauts to perform a number of exercises to prevent skeletal muscle atrophy and neuromuscular deconditioning in microgravity environments. The RED must fit the requirements for limited volume and weight and must provide a means of restraint during exercise. The design team divided the functions of the device into three major groups: methods of supplying force, methods of adjusting force, and methods of transmitting the force to the user. After analyzing the three main functions of the RED and developing alternatives for each, the design team used a comparative decision process to choose the most feasible components for the overall design. The design team selected the constant force spring alternative for further embodiment. The device consists of an array of different sized constant force springs which can be pinned in different combinations to produce the required output forces. The force is transmitted by means of a shaft and gear system. The final report is divided into four sections. An introduction section discusses the sponsor background, problem background and requirements of the device. The second section covers the alternative designs for each of the main functions. The design solution and pertinent calculations comprises the third section. The final section contains design conclusions and recommendations including topics of future work.

Carlson, Dennis L.↗

Generalized seismic analysis

There is a constant need to be able to solve for enforced motion of structures. Spacecraft need to be qualified for acceleration inputs. Truck cargoes need to be safeguarded from road mishaps. Office buildings need to withstand earthquake shocks. Marine machinery needs to be able to withstand hull shocks. All of these kinds of enforced motions are being grouped together under the heading of seismic inputs. Attempts have been made to cope with this problem over the years and they usually have ended up with some limiting or compromise conditions. The crudest approach was to limit the problem to acceleration occurring only at a base of a structure, constrained to be rigid. The analyst would assign arbitrarily outsized masses to base points. He would then calculate the magnitude of force to apply to the base mass (or masses) in order to produce the specified acceleration. He would of necessity have to sacrifice the determination of stresses in the vicinity of the base, because of the artificial nature of the input forces. The author followed the lead of John M. Biggs by using relative coordinates for a rigid base in a 1975 paper, and again in a 1981 paper . This method of relative coordinates was extended and made operational as DMAP ALTER packets to rigid formats 9, 10, 11, and 12 under contract N60921-82-C-0128. This method was presented at the twelfth NASTRAN Colloquium. Another analyst in the field developed a method that computed the forces from enforced motion then applied them as a forcing to the remaining unknowns after the knowns were partitioned off. The method was translated into DMAP ALTER's but was never made operational. All of this activity jelled into the current effort. Much thought was invested in working out ways to unshakle the analysis of enforced motions from the limitations that persisted.

Butler, Thomas G.↗

Transient cardio-respiratory responses to visually induced tilt illusions

Although the orthostatic cardio-respiratory response is primarily mediated by the baroreflex, studies have shown that vestibular cues also contribute in both humans and animals. We have demonstrated a visually mediated response to illusory tilt in some human subjects. Blood pressure, heart and respiration rate, and lung volume were monitored in 16 supine human subjects during two types of visual stimulation, and compared with responses to real passive whole body tilt from supine to head 80 degrees upright. Visual tilt stimuli consisted of either a static scene from an overhead mirror or constant velocity scene motion along different body axes generated by an ultra-wide dome projection system. Visual vertical cues were initially aligned with the longitudinal body axis. Subjective tilt and self-motion were reported verbally. Although significant changes in cardio-respiratory parameters to illusory tilts could not be demonstrated for the entire group, several subjects showed significant transient decreases in mean blood pressure resembling their initial response to passive head-up tilt. Changes in pulse pressure and a slight elevation in heart rate were noted. These transient responses are consistent with the hypothesis that visual-vestibular input contributes to the initial cardiovascular adjustment to a change in posture in humans. On average the static scene elicited perceived tilt without rotation. Dome scene pitch and yaw elicited perceived tilt and rotation, and dome roll motion elicited perceived rotation without tilt. A significant correlation between the magnitude of physiological and subjective reports could not be demonstrated.

NASA Center JSC↗

A constant-alpha force-free-field analysis of the active region AR 4711 of February, 1986

The theory of Yang et al. (1983) is used to analyze the large active region AR 4711 of Feb. 1986. This region stored between 0.01 x 10 to the 32nd and 5.36 x 10 to the 32nd erg of extractable free magnetic energy, sufficient to supply the energies of the observed flare activities in this region. The region was an energetic quadrupolar sunspot group, occurring during solar minimum; this group was strongly twisted and produced many intense flares.

Yang, Hai-Shou↗

Symmetry-driven persistent spin texture for the two-dimensional nonsymmorphic CdTe and ZnTe crystal structures

In this paper, two nonsymmorphic two-dimensional structures of CdTe and ZnTe are modeled, and using state-of-the-art density functional theory with the group theory of solids, their symmetry-enforced electronic properties are studied. The in-plane ferroelectricity coupled with strong spin-orbit coupling induces a unidirectional out-of-plane Rashba spin-orbit field that can host a momentum-independent uniform spin configuration known as persistent spin texture (PST) at the Brillouin zone center. PST in these structures is found to be robust against external perturbations such as strain, structural distortion, and independent of layer thickness. These unprecedented intrinsic spin transport properties hold utmost importance in spintronics, as the experimental stringent condition of equal Rashba and Dresselhaus constants [Phys. Rev. Lett. 90, 146801 (2003)] is eliminated. The calculated persistent spin helix wavelength of <~5 nm paves the way for developing next-generation nanosized nonballistic spin field-effect transistors compared with micrometer-sized GaAs/AlGaAs quantum wells. Further, these materials exhibit finite spin Hall conductivity at the band edges and hence can be used in ferromagnet-free spin Hall transistors. Although CdTe and ZnTe systems have been widely studied for photocatalysis and solar cell applications over the past few decades, their potential application in spintronic devices has not been explored. Mono/few layers of CdTe and ZnTe synthesized from (110) facets of bulk zinc-blende crystals [Nat. Commun. 3, 1057 (2012)] satisfy all symmetry operations of the nonsymmorphic space group and hence can be considered ideal materials to verify our theoretical results experimentally.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Transition Path Sampling Study of the Feruloyl Esterase Mechanism

Serine hydrolases cleave peptide and ester bonds and are ubiquitous in nature, with applications in biotechnology, in materials, and as drug targets. The serine hydrolase two-step mechanism employs a serine–histidine–aspartate/glutamate catalytic triad, where the histidine residue acts as a base to activate poor nucleophiles (a serine residue or a water molecule) and as an acid to allow the dissociation of poor leaving groups. This mechanism has been the subject of debate regarding how histidine shuttles the proton from the nucleophile to the leaving group. To elucidate the reaction mechanism of serine hydrolases, we employ quantum mechanics/molecular mechanics-based transition path sampling to obtain the reaction coordinate using the Aspergillus niger feruloyl esterase A (AnFaeA) as a model enzyme. The optimal reaction coordinates include terms involving nucleophilic attack on the carbonyl carbon and proton transfer to, and dissociation of, the leaving group. During the reaction, the histidine residue undergoes a reorientation on the time scale of hundreds of femtoseconds that supports the “moving histidine” mechanism, thus calling into question the “ring flip” mechanism. We find a concerted mechanism, where the transition state coincides with the tetrahedral intermediate with the histidine residue pointed between the nucleophile and the leaving group. Moreover, motions of the catalytic aspartate toward the histidine occur concertedly with proton abstraction by the catalytic histidine and help stabilize the transition state, thus partially explaining how serine hydrolases enable poor nucleophiles to attack the substrate carbonyl carbon. Rate calculations indicate that the second step (deacylation) is rate-determining, with a calculated rate constant of 66 s –1 . Altogether, these results reveal the pivotal role of active-site dynamics in the catalytic mechanism of AnFaeA, which is likely similar in other serine hydrolases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Help for Crippled Children

Children with cerebral palsy have nervous system defects which lead to muscular spasticity and loss of coordination. Many of these children have great difficulty walking because certain muscles are in a constant state of contraction. Surgical techniques can lengthen muscles or tendons to improve the child's walking pattern, but it is vital to diagnose accurately the particular spasticity problem of each patient; the individual muscles causing the handicap vary greatly from child to child. It is difficult by physical examination alone to determine precisely which muscle groups are most involved. Biotelemetry has provided a solution. For the past two years, the Children's Hospital at Standord, assisted by NASA and the Stanford Biomedical Application Team, has been applying biotelemetry to the cerebral palsy problem.

Source record↗

A Possible Explanation for the Z-R Parameter Inconsistency when Comparing Stratiform and Convective Rainfall

The well-known Z-R power law Z A R(sup b) uses two parameters, A and b, in order to relate rainfall rate R to measured weather radar reflectivity Z. A common method used by researchers is to compute Z and R from disdrometer data and then extract the A-b parameter pair from a log-linear line fit to a scatter plot of Z-R pairs. Even though it may seem far more truthful to extract the parameter pair from a fit of radar Z(sub R) versus gauge rainfall rate R(sub G), the extreme difference in spatial and temporal sampling volumes between radar and rain gauge creates a slew of problems that can generally only be solved by using rain gauge arrays and long sampling averages. Disdrometer derived A-b parameters are easily obtained and can provide information for the study of stratiform versus convective rainfall. However, an inconsistency appears when comparing averaged A-b pairs from various researchers. Values of b range from 1.26 to 1.51 for both stratiform and convective events. Paradoxically the values of A fall into three groups: 150 to 200 for convective; 200 to 400 for stratiform; and 400 to 500 again for convective. This apparent inconsistency can be explained by computing the A-b pair using the gamma DSD coupled with a modified drop terminal velocity model, v(D) alpha D(sup beta) - w, where w is a somewhat artificial constant vertical velocity of the air above the disdrometer. This model predicts three regions of A, corresponding to w less than 0, w = 0, and w greater than 0, which approximately matches observed data.

gamma DSD↗

The solution structures and relative stability constants of lanthanide–EDTA complexes predicted from computation

Ligand selectivity to specific lanthanide (Ln) ions is key to the separation of rare earth elements from each other. Ligand selectivity can be quantified with relative stability constants (measured experimentally) or relative binding energies (calculated computationally). The relative stability constants of EDTA (ethylenediaminetetraacetic acid) with La 3+ , Eu 3+ , Gd 3+ , and Lu 3+ were predicted from relative binding energies, which were quantified using electronic structure calculations with relativistic effects and based on the molecular structures of Ln–EDTA complexes in solution from density functional theory molecular dynamics simulations. The protonation state of an EDTA amine group was varied to study pH ~7 and ~11 conditions. Further, simulations at 25 °C and 90 °C were performed to elucidate how structures of Ln–EDTA complexes varying with temperature are related to complex stabilities at different pH conditions. Relative stability trends are predicted from computation for varying Ln 3+ ions (La, Eu, Gd, Lu) with a single ligand (EDTA at pH ~11), as well as for a single Ln 3+ ion (La) with varying ligands (EDTA at pH ~7 and ~11). Changing the protonation state of an EDTA amine site significantly changes the solution structure of the Ln–EDTA complex resulting in a reduction of the complex stability. As a result, increased Ln–ligand complex stability is correlated to reduced structural variations in solution upon an increase in temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-affinity amide-lanthanide adsorption to gram-positive soil bacteria

The gram-positive soil bacterium, Arthrobacter nicotianae, uses multiple organic acid functional groups to adsorb lanthanides onto its cell surface. At relevant soil pH conditions of 4.0–6.0, many of these functional groups are de-protonated and available for cation sorption and metal immobilization. However, among the plethora of naturally occurring site types, A. nicotianae is shown to possess high-affinity amide and phosphate sites that disproportionately affect lanthanide adsorption to the cell wall. We quantify neodymium (Nd)-selective site types, reporting an amide-Nd stability constant of log 10 K = 6.41 ± 0.23 that is comparable to sorption via phosphate-based moieties. These sites are two to three orders of magnitude more selective for Nd than the adsorption of divalent metals to ubiquitous carboxyl-based moieties. This implies the importance of lanthanide biosorption in the context of metal transport in subsurface systems despite trace concentrations of lanthanides found in the natural environment.

59 BASIC BIOLOGICAL SCIENCES↗

Effect of filtration on rolling-element-bearing life in contaminated lubricant environment

Fatigue tests were conducted on groups of 65 millimeter-bore ball bearings under four levels of filtration with and without a contaminated MIL-L-23699 lubricant. The baseline series used noncontaminated oil with 49 micron absolute filtration. In the remaining tests contaminants of the composition found in aircraft engine filters were injected into the filter's supply line at a constant rate of 125 milligrams per bearing-hour. The test filters had absolute particle removal ratings of 3, 30, 49, and 105 microns (0.45, 10, 30, and 70 microns nominal), respectively. Bearings were tested at 15,000 rpm under 4580 newtons radial load. Bearing life and running tract condition generally improved with finer filtration. The 3 and 30 micron filter bearings in a contaminated lubricant had statistically equivalent lives, approaching those from the baseline tests. The experimental lives of 49 micron bearings were approximately half the baseline bearing's lives. Bearings tested with the 105 micron filter experienced wear failures. The degree of surface distress, weight loss, and probable failure mode were found to be dependent on filtration level, with finer filtration being clearly beneficial.

Loewenthal, S. H.↗

Nanotube Sensors

Under this project, we explored the feasibility of utilizing carbon nanotubes in sensing applications. The grant primarily supported a graduate student, who worked on a number of aspects of the electrical properties of carbon nanotubes in collaboration with other researchers in my group. The two major research accomplishments are described below. The first accomplishment is the demonstration that solution carbon nanotube transistors functioned well in an electrolyte environment. This was important for two reasons. First, it allowed us to explore the ultimate limits of nanotube electronic performance by using the electrolyte as a highly effective gate, with a dielectric constant of approximately 80 and an effective insulator thickness of approximately 1 nm. Second, it showed that nanotubes function well under biologically relevant conditions (salty water) and therefore offer great promise as biological sensors. The second accomplishment was the demonstration that a voltage pulse applied to an AFM tip could be used to electrically cut carbon nanotubes. We also showed that a carefully applied pulse could also 'nick' a nanotube, creating a tunnel barrier without completely breaking the tube. Nicking was employed to make, for example, a quantum dot within a nanotube.

McEuen, Paul L.↗