Vibrational spectra and structure of small-ring compounds. XII.
Propylene imine IR and Raman spectra, calculating thermodynamic functions based on rigid rotator harmonic oscillator model
Bush, S. F.↗
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Results for “small structures”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Mariner 9 photographs of small-scale volcanic structures on Mars
Surface features on the flanks of Martian shield volcanoes photographed by Mariner 9 are identified as lava flow channels, rift zones, and partly collapsed lava tubes by comparisons with similar structures on the flanks of Mauna Loa shield volcano, Hawaii. From these identifications, the composition of the Martian lava flows is interpreted to be basaltic, with viscosities ranging from those of fluid pahoehoe to more viscous aa.
Greeley, R.↗
Isomeric structures and structural transformations in small clusters
The temperature dependence of the energies of the isomers of a seven-particle system is studied with a view toward understanding ergodicity problems in Monte Carlo simulations. It is found that the phase space of particles in a cluster is not ergodic at lower temperatures.
Kaelberer, J. B.↗
Creation of current filaments in the solar corona
It has been suggested that the solar corona is heated by the dissipation of electric currents. The low value of the resistivity requires the magnetic field to have structure at very small length scales if this mechanism is to work. In this paper it is demonstrated that the coronal magnetic field acquires small-scale structure through the braiding produced by smooth, randomly phased, photospheric flows. The current density develops a filamentary structure and grows exponentially in time. Nonlinear processes in the ideal magnetohydrodynamic equations produce a cascade effect, in which the structure introduced by the flow at large length scales is transferred to smaller scales. If this process continues down to the resistive dissipation length scale, it would provide an effective mechanism for coronal heating.
Mikic, Z.↗
Linear structures on the small inner satellites of Saturn
Shape modelling methods developed for non-spherical worlds were applied to four satellites of Saturn: Prometheus, Pandora, Janus, and Epimetheus. This results in the first detailed shaded relief maps of their surfaces. Ridges and valleys are described with their implications for satellite history and asteroid 951 Gaspra. They probably result from fracturing during break-up of parent bodies and/or later large impacts. Prometheus and perhaps Gaspra may be coated with debris from parent body fragmentation as well as more recent regolith. These four satellites are covered by relatively few useful images, so the shapes are imperfectly known and positions of features on maps may be wrong by up to a few tens of degrees in some areas (worst where a feature is seen only near a limb). Nevertheless, these shape models are more useful than the previous triaxial ellipsoid models.
Stooke, Philip J.↗
Structure of the Small Amplitude Motion on Transversely Sheared Mean Flows
This paper considers the small amplitude unsteady motion of an inviscid non-heat conducting compressible fluid on a transversely sheared mean flow. It extends a previous result given in Goldstein (1978(b) and 1979(a)) which shows that the hydrodynamic component of the motion is determined by two arbitrary convected quantities in the absence of solid surfaces or other external sources. The result is important because it can be used to specify appropriate boundary conditions for unsteady surface interaction problems on transversely sheared mean flows in the same way that the vortical component of the Kovasznay (1953) decomposition is used to specify these conditions for surface interaction problems on uniform mean flows. But unlike the Kovasznay (1953) case the arbitrary convected quantities no longer bear a simple relation to the physical variables. One purpose of this paper is to derive a formula that relates these quantities to the (physically measurable) vorticity and pressure fluctuations in the flow.
Goldstein, Marvin E.↗
Semiclassical Approach to Structure Functions at Small X
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Buchmüller, W.↗
Coherent amplification of X-ray scattering from meso-structures
Small-angle X-ray scattering (SAXS) often includes an unwanted background, which increases the required measurement time to resolve the sample structure. This is undesirable in all experiments, and may make measurement of dynamic or radiation-sensitive samples impossible. Here, we demonstrate a new technique, applicable when the scattering signal is background-dominated, which reduces the requisite exposure time. Our method consists of exploiting coherent interference between a sample with a designed strongly scattering `amplifier'. A modified angular correlation function is used to extract the symmetry of the interference term; that is, the scattering arising from the interference between the amplifier and the sample. This enables reconstruction of the sample's symmetry, despite the sample scattering itself being well below the intensity of background scattering. Thus, coherent amplification is used to generate a strong scattering term (well above background), from which sample scattering is inferred. We validate this method using lithographically defined test samples.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Analysis of single-mode Richtmyer–Meshkov instability using high-order incompressible vorticity-streamfunction and shock-capturing simulations
In this study, two- and three-dimensional simulation results obtained using a new high-order incompressible, variable-density vorticity–streamfunction (VS) method and data from previous ninth-order weighted essentially nonoscillatory (WENO) shock-capturing simulations are used to investigate the nonlinear dynamics of single-mode Richtmyer–Meshkov instability using a model of a Mach 1.3 air(acetone)/SF6 shock tube experiment. A comparison of the density fields from both simulations with the experimental images demonstrates very good agreement in the large-scale structure with both methods but differences in the small-scale structure. The WENO method captures the small-scale disordered structure observed in the experiment, while the VS method partially captures such structure and yields a strong rotating core. The perturbation amplitude growth from the simulations generally agrees well with the experiment. The simulation bubble and spike amplitudes agree well at early times. At later times, the WENO bubble amplitude is smaller than the VS amplitude and vice versa for the spike amplitude. The predictions of nonlinear single-mode instability growth models are shown to agree with the simulation amplitudes at early-to-intermediate times but underpredict the amplitudes at later times in the nonlinear regime. Visualizations of the mass fraction and enstrophy isosurfaces, velocity and vorticity fields, and baroclinic vorticity production and vortex stretching terms from the three-dimensional simulations indicate that, with the exception of the small-scale structure within the rollups, the VS and WENO results are in good agreement.
42 ENGINEERING↗
Optimized Negative Staining: a High-throughput Protocol for Examining Small and Asymmetric Protein Structure by Electron Microscopy
Structural determination of proteins is rather challenging for proteins with molecular masses between 40 - 200 kDa. Considering that more than half of natural proteins have a molecular mass between 40 - 200 kDa, a robust and high-throughput method with a nanometer resolution capability is needed. Negative staining (NS) electron microscopy (EM) is an easy, rapid, and qualitative approach which has frequently been used in research laboratories to examine protein structure and protein-protein interactions. Unfortunately, conventional NS protocols often generate structural artifacts on proteins, especially with lipoproteins that usually form presenting rouleaux artifacts. By using images of lipoproteins from cryo-electron microscopy (cryo-EM) as a standard, the key parameters in NS specimen preparation conditions were recently screened and reported as the optimized NS protocol (OpNS), a modified conventional NS protocol. Artifacts like rouleaux can be greatly limited by OpNS, additionally providing high contrast along with reasonably high-resolution (near 1 nm) images of small and asymmetric proteins. These high-resolution and high contrast images are even favorable for an individual protein (a single object, no average) 3D reconstruction, such as a 160 kDa antibody, through the method of electron tomography. Moreover, OpNS can be a high-throughput tool to examine hundreds of samples of small proteins. For example, the previously published mechanism of 53 kDa cholesteryl ester transfer protein (CETP) involved the screening and imaging of hundreds of samples. Considering cryo-EM rarely successfully images proteins less than 200 kDa has yet to publish any study involving screening over one hundred sample conditions, it is fair to call OpNS a high-throughput method for studying small proteins. Hopefully the OpNS protocol presented here can be a useful tool to push the boundaries of EM and accelerate EM studies into small protein structure, dynamics and mechanisms.
47 OTHER INSTRUMENTATION↗
Small-rotation-angle moiré structures of 2H TaSe 2 monolayers on Au(111)
We demonstrate the growth of small-rotation-angle TaSe 2 moiré structures on a Au(111) substrate, providing important insights on the direct synthesis of small-angle twisted two-dimensional layers for future twistronics.
Liu, Lina [Department of Physics and Astronomy, Pu↗
Gas phase structures and charge localization in small aluminum oxide anions: Infrared photodissociation spectroscopy and electronic structure calculations
We use cryogenic ion trap vibrational spectroscopy in combination with quantum chemical calculations to study the structure of mono- and dialuminum oxide anions. The infrared photodissociation spectra of D{sub 2}-tagged AlO{sub 1-4}{sup −} and Al{sub 2}O{sub 3-6}{sup −} are measured in the region from 400 to 1200 cm{sup −1}. Structures are assigned based on a comparison to simulated harmonic and anharmonic IR spectra derived from electronic structure calculations. The monoaluminum anions contain an even number of electrons and exhibit an electronic closed-shell ground state. The Al{sub 2}O{sub 3-6}{sup −} anions are oxygen-centered radicals. As a result of a delicate balance between localization and delocalization of the unpaired electron, only the BHLYP functional is able to qualitatively describe the observed IR spectra of all species with the exception of AlO{sub 3}{sup −}. Terminal Al–O stretching modes are found between 1140 and 960 cm{sup −1}. Superoxo and peroxo stretching modes are found at higher (1120-1010 cm{sup −1}) and lower energies (850-570 cm{sup −1}), respectively. Four modes in-between 910 and 530 cm{sup −1} represent the IR fingerprint of the common structural motif of dialuminum oxide anions, an asymmetric four-member Al–(O){sub 2}–Al ring.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1
Acid-sensing ion channels (ASICs) are proton-gated cation channels critical for neuronal functions. Studies of ASIC1, a major ASIC isoform and proton sensor, have identified acidic pocket, an extracellular region enriched in acidic residues, as a key participant in channel gating. While binding to this region by the venom peptide psalmotoxin modulates channel gating, molecular and structural mechanisms of ASIC gating modulation by small molecules are poorly understood. Here, combining functional, crystallographic, computational and mutational approaches, we show that two structurally distinct small molecules potently and allosterically inhibit channel activation and desensitization by binding at the acidic pocket and stabilizing the closed state of rat/chicken ASIC1. Our work identifies a previously unidentified binding site, elucidates a molecular mechanism of small molecule modulation of ASIC gating, and demonstrates directly the structural basis of such modulation, providing mechanistic and structural insight into ASIC gating, modulation and therapeutic targeting.
59 BASIC BIOLOGICAL SCIENCES↗
Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain
Two structures of a small protein with a defined tertiary fold, the isolated Pin1 WW domain, have been determined via racemic crystallization with small-molecule additives. These additives, which are either racemic or achiral, appear to stabilize a dynamic loop region of the structure. The human Pin1 WW domain is a small autonomously folding protein that has been useful as a model system for biophysical studies of β-sheet folding. This domain has resisted previous attempts at crystallization for X-ray diffraction studies, perhaps because of intrinsic conformational flexibility that interferes with the formation of a crystal lattice. Here, the crystal structure of the human Pin1 WW domain has been obtained via racemic crystallization in the presence of small-molecule additives. Both enantiomers of a 36-residue variant of the Pin1 WW domain were synthesized chemically, and the l- and d-polypeptides were combined to afford diffracting crystals. The structural data revealed packing interactions of small carboxylic acids, either achiral citrate or a d,l mixture of malic acid, with a mobile loop region of the WW-domain fold. These interactions with solution additives may explain our success in crystallization of this protein racemate. Molecular-dynamics simulations starting from the structure of the Pin1 WW domain suggest that the crystal structure closely resembles the conformation of this domain in solution. The structural data presented here should provide a basis for further studies of this important model system.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Small-scale wind and temperature structure as evidenced by meteorological rocket systems.
Small scale wind and temperature structure from wind and temperature data from Japanese MT 135 and American ARCAS meteorological rocket systems
Finger, F. G.↗
Thermal conductivity of pristine and brominated P-100 fibers
Thermal conductivity of brominated and pristine Union Carbide P-100 graphite fibers in the 30 to 160 C temperature range was determined by measuring thermal conductivities of graphite fiber epoxy composite samples and then excluding the epoxy contribution. A comparative thermal conductivity instrument was used to measure the thermal conductivity of the samples containing fibers. Results showed that the thermal conductivity values were 225 to 370 w/m-K and 215 to 340 w/m-K for pristine and brominated fibers, respectively. Furthermore, the thermal conductivity ratio of brominated to pristine P-100 fibers was 0.89, 0.91, and 0.92 at 55 to 80 C; 108 and 130 C, respectively. Such decrease in thermal conductivity results almost entirely from the 10 percent increase in fiber cross sectional area due to bromination. This result suggests that bromination effects on P-100 fiber structure is small, and that some structural changes, presumably the sharp-angled domain wall becomes less sharp, occurring in the 80 to 108 C temperature range.
Hung, C. C.↗
Shuttle derived atmosphere
The shuttle descends along a rather shallow path, thus providing some information on the horizontal structure of the atmosphere. Small scale structures were suggested (shears, potholes). The best estimates of the shuttle drag coefficient and projected areas are used to go from accelerometer data to density through the use of BET's (Best Estimated Trajectories). Data are from the IMU's (Inertial Measurement Unit) and the HiRAP (High Resolution Accelerometer Package).
Findlay, John↗
Thermal conductivity of pristine and brominated highly graphitized pitch based carbon fibers
Thermal conductivity of brominated and pristine Union Carbide P-100 graphite fibers in the 30 to 160 C temperature range was determined by measuring thermal conductivities of graphite fiber epoxy composite samples and then excluding the epoxy contribution. A comparative thermal conductivity instrument was used to measure the thermal conductivity of the samples containing fibers. Results showed that the thermal conductivity values were 225 to 370 w/m-K and 215 to 340 w/m-K for pristine and brominated fibers, respectively. Furthermore, the thermal conductivity ratio of brominated to pristine P-100 fibers was 0.89, 0.91, and 0.92 at 55 to 80 C; 108 and 130 C, respectively. Such decrease in thermal conductivity results almost entirely from the 10 percent increase in fiber cross sectional area due to bromination. This result suggests that bromination effects on P-100 fiber structure is small, and that some structural changes, presumably the sharp-angled domain wall becomes less sharp, occurring in the 80 to 108 C temperature range.
Hung, Ching-Cheh↗