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At least 469 records · Page 26

What are the current limits on determination of protonation state using neutron macromolecular crystallography?

The rate of deposition of models determined by neutron diffraction, or a hybrid approach that combines X-ray and neutron diffraction, has increased in recent years. The benefit of neutron diffraction is that hydrogen atom (H) positions are detectable, allowing for the determination of protonation state and water molecule orientation. This study analyses all neutron models deposited in the Protein Data Bank to date, focusing on protonation state and properties of H (or deuterium, D) atoms as well as the details of water molecules. In particular, clashes and hydrogen bonds involving H or D atoms are investigated. As water molecules are typically the least reproducible part of a structural model, their positions in neutron models were compared to those in homologous high-resolution X-ray structures. For models determined by joint refinement against X-ray and neutron data, the water structure comparison was also carried out for models re-refined against the X-ray data alone. The homologues have generally fewer conserved water molecules where X-ray only was used and the positions of equivalent waters vary more than in the case of the hybrid X-ray model. As neutron diffraction data are generally less complete than X-ray data, the influence of neutron data completeness on nuclear density maps was also analyzed. Here, we observe and discuss systematic map quality deterioration as result of data incompleteness.

Hydrogen bond↗

Servomotor and Controller Having Large Dynamic Range

A recently developed micro-commanding rotational-position-control system offers advantages of less mechanical complexity, less susceptibility to mechanical resonances, less power demand, less bulk, less weight, and lower cost, relative to prior rotational-position-control systems based on stepping motors and gear drives. This system includes a digital-signal- processor (DSP)-based electronic controller, plus a shaft-angle resolver and a servomotor mounted on the same shaft. Heretofore, micro-stepping has usually been associated with stepping motors, but in this system, the servomotor is micro-commanded in response to rotational-position feedback from the shaft-angle resolver. The shaft-angle resolver is of a four-speed type chosen because it affords four times the resolution of a single-speed resolver. A key innovative aspect of this system is its position-feedback signal- conditioning circuits, which condition the resolver output signal for multiple ranges of rotational speed. In the preferred version of the system, two rotational- speed ranges are included, but any number of ranges could be added to expand the speed range or increase resolution in particular ranges. In the preferred version, the resolver output is conditioned with two resolver-to-digital converters (RDCs). One RDC is used for speeds from 0.00012 to 2.5 rpm; the other RDC is used for speeds of 2.5 to 6,000 rpm. For the lower speed range, the number of discrete steps of RDC output per revolution was set at 262,144 (4 quadrants at 16 bits per quadrant). For the higher speed range, the number of discrete steps per revolution was set at 4,096 (4 quadrants at 10 bits per quadrant).

Alhorn, Dean C.↗

Dynamics and Control of Microwave Granular Imager

Granular media in space can be used in the radar and microwave bands to enable imaging of previously inaccessible regions of targets with high geophysical variations with time, such as comets. The means of imaging, which includes a re-direction of energy, can permit higher resolution imaging as well. Applications include both tomographic and topographic radar imaging. The effect of the granular media cloud geometry plays a significant role in the scattering process. In addition, the spatial randomness effects the beam collimation and can have a positive effect on the imaging qualities in terms of effective aperture, coverage, and resolution of the radar techniques.

Arumugam, Darmindra↗

Automated Extraction of Absorption Bands from Reflectance Special

A multiple high order derivative spectroscopy technique has been developed for deriving wavelength positions, half widths, and heights of absorption bands in reflectance spectra. The technique is applicable to laboratory spectra as well as medium resolution (100-200/cm) telescope or spacecraft spectra with moderate (few percent) noise. The technique permits absorption band positions to be detected with an accuracy of better than 3%, and often better than 1%. The high complexity of radiative transfer processes in diffusely reflected spectra can complicate the determination of absorption band positions. Continuum reflections, random illumination geometries within the material, phase angle effects, composite overlapping bands, and calibration uncertainties can shift apparent band positions by 20% from their actual positions or mask them beyond detection. Using multiple high order derivative analysis, effects of scattering continua, phase angle, and calibration (smooth features) are suppressed. Inflection points that characterize the positions and half widths of constituent bands are enhanced by the process and directly detected with relatively high sensitivity.

Huguenin, R. L.↗

High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons in the 3-micrometers Region: Role of Periphery

In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3-micrometers absorption band. To this purpose we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950-3150 per cm range. The experimental spectra are compared with standard harmonic calculations, and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3-micrometers region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive dataset of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly-condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3-micrometers band, and on features such as the two-component emission character of this band and the 3-micrometers emission plateau.

techniques: spectroscopic↗

Sonoluminescence Bubble Measurements using Vision-Based Algorithms

Vision-based measurement methods were used to measure bubble sizes in this sonoluminescence experiment. Bubble imaging was accomplished by placing the bubble between a bright light source and a microscope-CCD camera system. A collimated light-emitting diode was operated in a pulsed model with an adjustable time delay with respect to the piezo-electric transducer drive signal. The light-emitting diode produced a bubble shadowgraph consisting of a multiple exposure made by numerous light pulses imaged onto a charge-couple device camera. Each image was transferred from the camera to a computer-controlled machine vision system via a frame grabber. The frame grabber was equipped with on-board memory to accomodate sequential image buffering while images were transferred to the host processor and analyzed. This configuration allowed the host computer to perform diameter measurements, centroid position measurements and shape estimation in "real-time" as the next image was being acquired. Bubble size measurement accuracy with an uncertainty of 3 microns was achieved using standard lenses and machine vision algorithms. Bubble centroid position accuracy was also within the 3 micron tolerance of the vision system. This uncertainty estimation accounted for the optical spatial resolution, digitization errors and the edge detection algorithm accuracy. The vision algorithms include camera calibration, thresholding, edge detection, edge position determination, distance between two edges computations and centroid position computations.

Hall, Nancy R.↗

Predicting the single-site and multi-site event discrimination power of dual-phase time projection chambers

Dual-phase xenon time projection chambers (TPCs) are widely used in searches for rare dark matter and neutrino interactions, in part because of their excellent position reconstruction capability in 3D. Despite their millimeter-scale resolution along the charge drift axis, xenon TPCs face challenges in resolving single-site (SS) and multi-site (MS) interactions in the transverse plane. In this paper, we build a generic TPC model with an idealized signal readout, and use Fisher Information (FI) to predict its theoretical capability of differentiating SS and MS events using the electroluminescence signal. We also demonstrate via simulation that, when only statistical photon noise is present, the theoretical limits can be approached with conventional reconstruction algorithms like maximum likelihood estimation, and with a convolutional neural network classifier. The implications of this study on future TPC experiments will be discussed.

Physics↗

A weak subducting slab at intermediate depths below northeast Japan

Knowledge of the state of stress in subducting slabs is essential for understanding their mechanical behavior and the physical processes that generate earthquakes. Here, we develop a framework which uses a high-resolution focal mechanism catalog to determine the change in the position of the neutral plane before and after the M9 Tohoku-oki earthquake to determine that the deviatoric stress within the slab at intermediate depths must be very low (~1 MPa). We show that by combining the static stress calculated from coseismic slip distributions with the stress orientations before and after the mainshock, we can determine the full deviatoric stress tensor within the subducting slab at intermediate depths. These results preclude earthquake source mechanisms that require large background driving stresses, favoring a mechanically weak subducting slab, thus providing quantitative constraints on the physical processes that generate intermediate-depth earthquakes.

58 GEOSCIENCES↗

Three-dimensional visualization of nanoparticle lattices and multi-material frameworks

We report advances in nanoscale self-assembly have enabled the formation of complex nanoscale architectures. However, the development of self-assembly strategies toward bottom-up nanofabrication is impeded by challenges in revealing these structures volumetrically at the single-component level and with elemental sensitivity. Leveraging advances in nano-focused hard x-rays, DNA-programmable nanoparticle assembly, and nanoscale inorganic templating, we demonstrate nondestructive three-dimensional imaging of complexly organized nanoparticles and multimaterial frameworks. In a three-dimensional lattice with a size of 2 micrometers, we determined the positions of about 10,000 individual nanoparticles with 7-nanometer resolution, and identified arrangements of assembly motifs and a resulting multimaterial framework with elemental sensitivity. The real-space reconstruction permits direct three-dimensional imaging of lattices, which reveals their imperfections and interfaces and also clarifies the relationship between lattices and assembly motifs.

36 MATERIALS SCIENCE↗

Dedicated beam position monitor pair for model-independent lattice characterization at NSLS-II

This paper reports recent lattice characterization results obtained at the National Synchrotron Light Source II (NSLS-II) storage ring, conducted without reliance on a lattice model. A pair of beam position monitors (BPMs) with bunch-by-bunch (B×B) resolution, were recently installed in a section of the storage ring free of magnetic fields. The new BPM pair measured the beam, or bunch’s transverse Poincar´e map precisely after the beam was excited. Linear one-turn-matrices (OTM) were then derived, and from these, the 4-dimensional coupled Twiss parameters were extracted at the locations of the BPM pair. By normalizing beam oscillation amplitudes with the Twiss parameters, the global action-variables were obtained. These action-variables facilitated the measurement of the local Twiss parameters observed by other BPMs independent on lattice model. This method is general, and particularly useful in certain scenarios such as a round beam mode in a diffraction-limited light source ring. We applied it to assess both weakly and strongly coupled lattices at the NSLS-II ring. Through analysis of the strongly coupled lattice, the quadrupole tilt errors were estimated to be less than 400 µrad. Utilizing the BPMs’ B×B resolution, for the first time we observed the variations of the linear lattice along a long bunch-train.

43 PARTICLE ACCELERATORS↗

First-order optical analysis of a quasi-microscope for planetary landers

A first-order geometrical optics analysis of a facsimile camera augmented with an auxiliary lens as magnifier is presented. This concept, called quasi-microscope, bridges the gap between surface resolutions of the order of 1 to 10 mm which can be obtained directly with planetary lander cameras and resolutions of the order of 0.2 to 10 microns which can be obtained only with relatively complex microscopes. A facsimile camera was considered in the analysis; however, the analytical results can also be applied to television and film cameras. It was found that quasi-microscope resolutions in the range from 10 to 100 microns are obtainable with current state-of-the-art lander facsimile cameras. For the Viking lander camera having an angular resolution of 0.04 deg, which was considered as a specific example, the best achievable resolution would be about 20 microns. The preferred approach to increase the resolution of the quasi-microscope would be, if possible, through an increase in angular resolution of the camera. A twofold to threefold improvement in resolution could also be achieved with a special camera focus position, but this approach tends to require larger and heavier auxiliary optics.

Huck, F. O.↗

A 102-cm balloon-borne telescope for far-infrared astronomy

The Center for Astrophysics-University of Arizona balloon-borne, inertially-guided, 102 cm telescope was designed to perform photometry and high resolution mapping of far-infrared (40-250 micron) celestial sources. To date the telescope has now been flown and successfully recovered a total of ten times. Six of the flights have produced useful astronomical data, resulting in more than 40 hours of observations of numerous objects, such as HII regions, dark clouds, molecular clouds, galaxies, the galactic center, planets, and an asteroid. Maps with a resolution of 1 arcmin FWHM have been achieved with absolute position accuracies of plus or minus 10 arcsec. The rms noise equivalent flux density of the system is approximately 70 Jy/(Hz) to the 1/2. From the launch site in Texas, sources as far south as - 50 degrees declination have been observed.

Fazio, G. G.↗

Measurement of systematic outflow from the solar transition region underlying a coronal hole

This letter presents measurements of small Doppler shifts in the line center position of 629A OV obtained with a new high-resolution EUV spectrometer flown aboard a sounding rocket. A major result is the detection of an apparent systematic outflow (relative to the quiet sun) of approximately 3 km/s average and 5 km/s maximum in the solar transition region underlying a well-defined low-latitude coronal hole. This is reminiscent of a similar apparent outflow observed by Cushman and Rense in the coronal line 303A Si XI. The hypothesis that this is evidence for acceleration of the high speed solar wind deep in the transition region and inner corona is explored briefly.

Rottman, G. J.↗

Improved charge injection device and a focal plane interface electronics board for stellar tracking

An improved Charge Injection Device (CID) stellar tracking sensor and an operating sensor in a control/readout electronics board were developed. The sensor consists of a shift register scanned, 256x256 CID array organized for readout of 4x4 subarrays. The 4x4 subarrays can be positioned anywhere within the 256x256 array with a 2 pixel resolution. This allows continuous tracking of a number of stars simultaneously since nine pixels (3x3) centered on any star can always be read out. Organization and operation of this sensor and the improvements in design and semiconductor processing are described. A hermetic package incorporating an internal thermoelectric cooler assembled using low temperature solders was developed. The electronics board, which contains the sensor drivers, amplifiers, sample hold circuits, multiplexer, analog to digital converter, and the sensor temperature control circuits, is also described. Packaged sensors were evaluated for readout efficiency, spectral quantum efficiency, temporal noise, fixed pattern noise, and dark current. Eight sensors along with two tracker electronics boards were completed, evaluated, and delivered.

Michon, G. J.↗

Observing tectonic plate motions and deformations from satellite laser ranging

The scope of geodesy has been greatly affected by the advent of artificial near-earth satellites. The present paper provides a description of the results obtained from the reduction of data collected with the aid of satellite laser ranging. It is pointed out that dynamic reduction of satellite laser ranging (SLR) data provides very precise positions in three dimensions for the laser tracking network. The vertical components of the stations, through the tracking geometry provided by the global network and the accurate knowledge of orbital dynamics, are uniquely related to the center of mass of the earth. Attention is given to the observations, the methodologies for reducing satellite observations to estimate station positions, Lageos-observed tectonic plate motions, an improved temporal resolution of SLR plate motions, and the SLR vertical datum.

Christodoulidis, D. C.↗

Velocity-resolved observations of water in comet Halley

High-resolution observations of H2O in comet Halley are presented. The positions and widths of the H2O emission line profiles are indicative of the coma's velocity field characteristics. Spectral line shape changes are used to infer temporal variations in the kinematic properties of the outflow. The results suggest that H2O is released into the coma by way of multiple jets.

Larson, Harold P.↗

A demonstration of stereophotogrammetry with combined SIR-B and Landsat TM images

Shuttle Imaging Radar-B (SIR-B) and Landsat Thematic Mapper (TM) images can be viewed stereoscopically if the illumination geometries are compatible. To create the stereoscopic effect points must be coregistered. Simplified stereophotogrammetric equations permit the height of an object above a reference plane to be crudely calculated from the target offset toward the SIR-B radar antenna with reference to its position on a TM image. Precision is limited by pixel resolution and target correlation. Future spaceborne imaging radar missions will offer the potential for topographic mapping in many areas where TM coverage is available.

Bloom, Arthur L.↗