Bilayered graphene/h-BN with folded holes as new nanoelectronic materials: modeling of structures and electronic properties

PubMed Central

Chernozatonskii, Leonid A.; Demin, Viсtor A.; Bellucci, Stefano

2016-01-01

The latest achievements in 2-dimensional (2D) material research have shown the perspective use of sandwich structures in nanodevices. We demonstrate the following generation of bilayer materials for electronics and optoelectronics. The atomic structures, the stability and electronic properties of Moiré graphene (G)/h-BN bilayers with folded nanoholes have been investigated theoretically by ab-initio DFT method. These perforated bilayers with folded hole edges may present electronic properties different from the properties of both graphene and monolayer nanomesh structures. The closing of the edges is realized by C-B(N) bonds that form after folding the borders of the holes. Stable ≪round≫ and ≪triangle≫ holes organization are studied and compared with similar hole forms in single layer graphene. The electronic band structures of the considered G/BN nanomeshes reveal semiconducting or metallic characteristics depending on the sizes and edge terminations of the created holes. This investigation of the new types of G/BN nanostructures with folded edges might provide a directional guide for the future of this emerging area. PMID:27897237

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fester, Jakob; Bajdich, Michal; Walton, Alex S.

Here, metal oxide nanostructures and thin films grown on metallic substrates have attracted strong attention as model catalysts and as interesting inverse catalyst systems in their own right. In this study, we investigate the role of metal support in the growth and stabilization of cobalt oxide nanostructures on the three related (111) surfaces of Au, Pt and Ag, as investigated by means of high-resolution scanning tunneling microscopy and DFT calculations. All three substrates promote the growth of crystalline CoO x (x = 1–2) islands under oxidative conditions, but we find several noteworthy differences in the occurrence and stabilization of fourmore » distinct cobalt oxide island phases: Co–O bilayers, O–Co–O trilayers, Co–O–Co–O double bilayers and O–Co–O–Co–O multilayers. Using atom-resolved images combined with analysis of defect lines in bilayer islands on Au and Pt, we furthermore unambiguously determine the edge structure. Interestingly, the island shape and abundances of edge types in bilayers change radically from mixed Co/O edge terminations on Au(111) to a predominance of Co terminated edges (~91 %) on Pt(111) which is especially interesting since the Co metal edges are expected to host the most active sites for water dissociation.« less

Imaging the Impact of Proton Irradiation on Edge Terminations in Vertical GaN pin Diodes

DOE PAGES

Collins, Kimberlee C.; King, Michael P.; Dickerson, Jeramy R.; ...

2017-05-29

Devices based on GaN have shown great promise for high power electronics, including their potential use as radiation tolerant components. An important step to realizing high power diodes is the design and implementation of an edge termination to mitigate field crowding, which can lead to premature breakdown. However, little is known about the effects of radiation on edge termination functionality. We experimentally examine the effects of proton irradiation on multiple field ring edge terminations in high power vertical GaN pin diodes using in operando imaging with electron beam induced current (EBIC). We find that exposure to proton irradiation influences fieldmore » spreading in the edge termination as well as carrier transport near the anode. By using depth-dependent EBIC measurements of hole diffusion length in homoepitaxial n-GaN we demonstrate that the carrier transport effect is due to a reduction in hole diffusion length following proton irradiation.« less

Imaging the Impact of Proton Irradiation on Edge Terminations in Vertical GaN pin Diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Collins, Kimberlee C.; King, Michael P.; Dickerson, Jeramy R.

Devices based on GaN have shown great promise for high power electronics, including their potential use as radiation tolerant components. An important step to realizing high power diodes is the design and implementation of an edge termination to mitigate field crowding, which can lead to premature breakdown. However, little is known about the effects of radiation on edge termination functionality. We experimentally examine the effects of proton irradiation on multiple field ring edge terminations in high power vertical GaN pin diodes using in operando imaging with electron beam induced current (EBIC). We find that exposure to proton irradiation influences fieldmore » spreading in the edge termination as well as carrier transport near the anode. By using depth-dependent EBIC measurements of hole diffusion length in homoepitaxial n-GaN we demonstrate that the carrier transport effect is due to a reduction in hole diffusion length following proton irradiation.« less

Electrostatic properties of graphene edges for electron emission under an external electric field

NASA Astrophysics Data System (ADS)

Gao, Yanlin; Okada, Susumu

2018-04-01

Electronic properties of graphene edges under a lateral electric field were theoretically studied in regard to their edge shapes and terminations to provide a theoretical insight into their field emission properties. The work function and potential barrier for the electron emission from the graphene edges are sensitive to their shape and termination. We also found that the hydrogenated armchair edge shows the largest emission current among all edges studied here. The electric field outside the chiral edges is spatially modulated along the edge because of the inhomogeneous charge density at the atomic sites of the edge arising from the bond alternation.

Electron Transport in Multi-Terminal Graphene Nanodevice with Inclined Cross Structures

NASA Astrophysics Data System (ADS)

Ye, En-Jia; Shi, Yi-Jian; Zhao, Xuean

2014-12-01

The DC and AC transport properties are investigated in multi-terminal graphene nanoribbon (GNR) devices. The devices are composed of three or four graphene ribbons connected with different angles. It is found that DC and AC conductances depend on the structural configurations and ribbon properties. In the vicinity of Dirac point, the intersection of graphene ribbons forms band mixing and results in resonant or anti-resonant states. The edge and width, as well as, the angles of the graphene ribbons influence the DC and AC transport properties drastically. These properties can be used to build future graphene-based nanoelectronics.

Vanadium K-edge X-ray absorption spectroscopy of bromoperoxidase from Ascophyllum nodosum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arber, J.M.; de Boer, E.; Garner, C.D.

Bromoperoxidase from Ascophyllum nodusum was the first vanadium-containing enzyme to be isolated. X-ray absorption spectra have now been collected in order to investigate the coordination of vanadium in the native, native plus bromide, native plus hydrogen peroxide, and dithionite-reduced forms of the enzyme. The edge and X-ray absorption near-edge structures show that, in the four samples studied, it is only on reduction of the native enzyme that the metal site is substantially altered. In addition, these data are consistent with the presence of vanadium(IV) in the reduced enzyme and vanadium(V) in the other samples. Extended X-ray absorption fine structure datamore » confirm that there are structural changes at the metal site on reduction of the native enzyme, notably a lengthening of the average inner-shell distance, and the presence of terminal oxygen together with histidine and oxygen-donating residues.« less

DETAIL VIEW OF UPPER TRAM TERMINAL STRUCTURE, LOOKING NORTHEAST TOWARD ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

DETAIL VIEW OF UPPER TRAM TERMINAL STRUCTURE, LOOKING NORTHEAST TOWARD THE REAR OF THE STRUCTURE. THE WHEELS AT THE TOP OF THE TRAM BUCKETS RODE OFF THE STATIONARY CABLES ONTO THE TRACK SUPPORTED BY THE "C" IRONS SUSPENDED FROM THE TOP TIMBERS, CLEARLY SEEN AT THE TOP OF THE FRAME. THE ANCHOR POINTS FOR THE TWO STATIONARY CABLES ARE AT BOTTOM CENTER, JUST BELOW THE CABLE WHEEL. THE MAIN CABLE WHEEL IS IN THE DISTANCE AT CENTER LEFT. THE ORE CHUTES COMING FROM THE ORE BIN ARE AT LEFT CENTER EDGE. TRAM BUCKETS WERE CHARGED HERE. - Keane Wonder Mine, Park Route 4 (Daylight Pass Cutoff), Death Valley Junction, Inyo County, CA

Electronic and magnetic properties of bare armchair BC2N nanoribbons

NASA Astrophysics Data System (ADS)

Li, Hong; Xiao, Xiang; Tie, Jun; Lu, Jing

2017-03-01

We present the electronic and magnetic properties of bare armchair BC2N nanoribbons (ABC2NNRs) in the view of density functional calculations. We consider three types of edge terminations with a width of 0.75 2.10 nm. All the investigated ribbons exhibit magnetic ground states with the magnetic moments mainly located on the edge C atoms. Room temperature accessible magnetic stabilities are obtained for ABC2NNRs with NC-NC and NC-BC edge alignments. We find the ABC2NNRs have various electronic structures, where half-metal, metal, and semiconductor are all acquired depend on the edge alignment and magnetic coupling state. The results show the ABC2NNRs can be a promising candidate material in nanoelectronics and nanospintronics.

Effect of disorder on longitudinal resistance of a graphene p-n junction in the quantum Hall regime

NASA Astrophysics Data System (ADS)

Chen, Jiang-Chai; Yeung, T. C. Au; Sun, Qing-Feng

2010-06-01

The longitudinal resistances of a six-terminal graphene p-n junction under a perpendicular magnetic field are investigated. Because of the chirality of the Hall edge states, the longitudinal resistances on top and bottom edges of the graphene ribbon are not equal. In the presence of suitable disorder, the top-edge and bottom-edge resistances well show the plateau structures in the both unipolar and bipolar regimes, and the plateau values are determined by the Landau filling factors only. These plateau structures are in excellent agreement with the recent experiment. For the unipolar junction, the resistance plateaus emerge in the absence of impurity and they are destroyed by strong disorder. But for the bipolar junction, the resistances are very large without the plateau structures in the clean junction. The disorder can strongly reduce the resistances and leads the formation of the resistance plateaus due to the mixture of the Hall edge states in virtue of the disorder. In addition, the size effect of the junction on the resistances is studied and some extra resistance plateaus are found in the long graphene junction case. This is explained by the fact that only part of the edge states participate in the full mixing.

Energy gap in graphene nanoribbons with structured external electric potentials

NASA Astrophysics Data System (ADS)

Apel, W.; Pal, G.; Schweitzer, L.

2011-03-01

The electronic properties of graphene zigzag nanoribbons with electrostatic potentials along the edges are investigated. Using the Dirac-fermion approach, we calculate the energy spectrum of an infinitely long nanoribbon of finite width w, terminated by Dirichlet boundary conditions in the transverse direction. We show that a structured external potential that acts within the edge regions of the ribbon can induce a spectral gap and thus switch the nanoribbon from metallic to insulating behavior. The basic mechanism of this effect is the selective influence of the external potentials on the spinorial wave functions that are topological in nature and localized along the boundary of the graphene nanoribbon. Within this single-particle description, the maximal obtainable energy gap is Emax∝πℏvF/w, i.e., ≈0.12 eV for w=15 nm. The stability of the spectral gap against edge disorder and the effect of disorder on the two-terminal conductance is studied numerically within a tight-binding lattice model. We find that the energy gap persists as long as the applied external effective potential is larger than ≃0.55×W, where W is a measure of the disorder strength. We argue that there is a transport gap due to localization effects even in the absence of a spectral gap.

Electronic transport in disordered MoS2 nanoribbons

NASA Astrophysics Data System (ADS)

Ridolfi, Emilia; Lima, Leandro R. F.; Mucciolo, Eduardo R.; Lewenkopf, Caio H.

2017-01-01

We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band gap. We study the electronic properties of pristine zigzag and armchair nanoribbons, paying particular attention to the edges states that appear within the MoS2 bulk gap. By analyzing both their orbital composition and their local density of states, we find that in zigzag-terminated nanoribbons these states can be localized at a single edge for certain energies independent of the nanoribbon width. We also study the effects of disorder in these systems using the recursive Green's function technique. We show that for the zigzag nanoribbons, the conductance due to the edge states is strongly suppressed by short-range disorder such as vacancies. In contrast, the local density of states still shows edge localization. We also show that long-range disorder has a small effect on the transport properties of nanoribbons within the bulk gap energy window.

DETAIL VIEW OF UPPER TRAM TERMINAL STRUCTURE, LOOKING SOUTH TOWARD ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

DETAIL VIEW OF UPPER TRAM TERMINAL STRUCTURE, LOOKING SOUTH TOWARD THE FRONT OF THE STRUCTURE. THE WHEELS AT THE TOP OF THE TRAM BUCKETS RODE OFF THE STATIONARY CABLES ONTO THE TRACK SUPPORTED BY THE "C" IRONS SUSPENDED FROM THE TOP TIMBERS ON THE LEFT AND RIGHT. THE BUCKET OPENING MECHANISM IS ON THE LEFT, AND PART OF THE CLOSING MECHANISM ON THE RIGHT EDGE OF THE FRAME. THE TWO CABLES AT CENTER ARE THE STATIONARY TRAM CABLES THAT RUN ALONG THE TOP OF THE SUPPORT TOWERS ON WHICH THE WHEELS OF THE TRAM BUCKETS RODE. THEY ARE ANCHORED AT GROUND LEVEL JUST OFF FRAME TO THE LOWER LEFT. - Keane Wonder Mine, Park Route 4 (Daylight Pass Cutoff), Death Valley Junction, Inyo County, CA

One dimensional metallic edges in atomically thin WSe2 induced by air exposure

NASA Astrophysics Data System (ADS)

Addou, Rafik; Smyth, Christopher M.; Noh, Ji-Young; Lin, Yu-Chuan; Pan, Yi; Eichfeld, Sarah M.; Fölsch, Stefan; Robinson, Joshua A.; Cho, Kyeongjae; Feenstra, Randall M.; Wallace, Robert M.

2018-04-01

Transition metal dichalcogenides are a unique class of layered two-dimensional (2D) crystals with extensive promising applications. Tuning the electronic properties of low-dimensional materials is vital for engineering new functionalities. Surface oxidation is of particular interest because it is a relatively simple method of functionalization. By means of scanning probe microscopy and x-ray photoelectron spectroscopy, we report the observation of metallic edges in atomically thin WSe2 monolayers grown by chemical vapor deposition on epitaxial graphene. Scanning tunneling microscopy shows structural details of WSe2 edges and scanning tunneling spectroscopy reveals the metallic nature of the oxidized edges. Photoemission demonstrates that the formation of metallic sub-stoichiometric tungsten oxide (WO2.7) is responsible for the high conductivity measured along the edges. Ab initio calculations validate the susceptibility of WSe2 nanoribbon edges to oxidation. The zigzag terminated edge exhibits metallic behavior prior the air-exposure and remains metallic after oxidation. Comprehending and exploiting this property opens a new opportunity for application in advanced electronic devices.

Symmetrical metallic and magnetic edge states of nanoribbon from semiconductive monolayer PtS2

NASA Astrophysics Data System (ADS)

Liu, Shan; Zhu, Heyu; Liu, Ziran; Zhou, Guanghui

2018-03-01

Transition metal dichalcogenides (TMD) MoS2 or graphene could be designed to metallic nanoribbons, which always have only one edge show metallic properties due to symmetric protection. In present work, a nanoribbon with two parallel metallic and magnetic edges was designed from a noble TMD PtS2 by employing first-principles calculations based on density functional theory (DFT). Edge energy, bonding charge density, band structure, density of states (DOS) and simulated scanning tunneling microscopy (STM) of four possible edge states of monolayer semiconductive PtS2 were systematically studied. Detailed calculations show that only Pt-terminated edge state among four edge states was relatively stable, metallic and magnetic. Those metallic and magnetic properties mainly contributed from 5d orbits of Pt atoms located at edges. What's more, two of those central symmetric edges coexist in one zigzag nanoribbon, which providing two atomic metallic wires thus may have promising application for the realization of quantum effects, such as Aharanov-Bohm effect and atomic power transmission lines in single nanoribbon.

A Numerical Analysis of Electromagnetic Scattering from Two-Dimensional Edge Terminations

NASA Technical Reports Server (NTRS)

Gray, B. E.; Dominek, A. K.; Wang, N.

1995-01-01

Several techniques that influence the low frequency scattering from penetrable edge terminations are evaluated using a hybrid finite element and boundary element method code. The edge terminations consist of a dielectric skin forming an exterior shape with an internal conducting bulkhead. Some of the techniques considered are bulkhead shaping, internal material loading, placement of resistive cards, and the placement of lossy dielectric material rods. The intent of the various treatments is to find a combination or combinations that influence(s) the backscattered field to acceptable levels over a range of frequencies for both transverse magnetic and transverse electric polarizations.

Tailoring highly conductive graphene nanoribbons from small polycyclic aromatic hydrocarbons: a computational study.

PubMed

Bilić, A; Sanvito, S

2013-07-10

Pyrene, the smallest two-dimensional mesh of aromatic rings, with various terminal thiol substitutions, has been considered as a potential molecular interconnect. Charge transport through two terminal devices has been modeled using density functional theory (with and without self interaction correction) and the non-equilibrium Green's function method. A tetra-substituted pyrene, with dual thiol terminal groups at opposite ends, has been identified as an excellent candidate, owing to its high conductance, virtually independent of bias voltage. The two possible extensions of its motif generate two series of graphene nanoribbons, with zigzag and armchair edges and with semimetallic and semiconducting electron band structure, respectively. The effects related to the wire length and the bias voltage on the charge transport have been investigated for both sets. The conductance of the nanoribbons with a zigzag edge does not show either length or voltage dependence, owing to an almost perfect electron transmission with a continuum of conducting channels. In contrast, for the armchair nanoribbons a slow exponential attenuation of the conductance with the length has been found, due to their semiconducting nature.

Vertical GaN power diodes with a bilayer edge termination

DOE PAGES

Dickerson, Jeramy R.; Allerman, Andrew A.; Bryant, Benjamin N.; ...

2015-12-07

Vertical GaN power diodes with a bilayer edge termination (ET) are demonstrated. The GaN p-n junction is formed on a low threading dislocation defect density (10 4 - 10 5 cm -2) GaN substrate, and has a 15-μm-thick n-type drift layer with a free carrier concentration of 5 × 10 15 cm -3. The ET structure is formed by N implantation into the p+-GaN epilayer just outside the p-type contact to create compensating defects. The implant defect profile may be approximated by a bilayer structure consisting of a fully compensated layer near the surface, followed by a 90% compensated (p)more » layer near the n-type drift region. These devices exhibit avalanche breakdown as high as 2.6 kV at room temperature. In addition simulations show that the ET created by implantation is an effective way to laterally distribute the electric field over a large area. This increases the voltage at which impact ionization occurs and leads to the observed higher breakdown voltages.« less

Delaunay based algorithm for finding polygonal voids in planar point sets

NASA Astrophysics Data System (ADS)

Alonso, R.; Ojeda, J.; Hitschfeld, N.; Hervías, C.; Campusano, L. E.

2018-01-01

This paper presents a new algorithm to find under-dense regions called voids inside a 2D point set. The algorithm starts from terminal-edges (local longest-edges) in a Delaunay triangulation and builds the largest possible low density terminal-edge regions around them. A terminal-edge region can represent either an entire void or part of a void (subvoid). Using artificial data sets, the case of voids that are detected as several adjacent subvoids is analyzed and four subvoid joining criteria are proposed and evaluated. Since this work is inspired on searches of a more robust, effective and efficient algorithm to find 3D cosmological voids the evaluation of the joining criteria considers this context. However, the design of the algorithm permits its adaption to the requirements of any similar application.

Edge strand engineering prevents native-like aggregation in Sulfolobus solfataricus acylphosphatase.

PubMed

de Rosa, Matteo; Bemporad, Francesco; Pellegrino, Sara; Chiti, Fabrizio; Bolognesi, Martino; Ricagno, Stefano

2014-09-01

β-proteins are constantly threatened by the risk of aggregation because β-sheets are inherently structured for edge-to-edge interactions. To avoid native-like aggregation, evolution has resulted in a set of strategies that prevent intermolecular β-interactions. Acylphosphatase from Sulfolobus solfataricus (Sso AcP) represents a suitable model for the study of such a process. Under conditions promoting aggregation, Sso AcP acquires a native-like conformational state whereby an unstructured N-terminal segment interacts with the edge β-strand B4 of an adjacent Sso AcP molecule. Because B4 is poorly protected against aggregation, this interaction triggers the aggregation cascade without the need for unfolding. Recently, three single Sso AcP mutants (V84D, Y86E and V84P) were designed to engineer additional protection against aggregation in B4 and were observed to successfully impair native-like aggregation in all three variants at the expense of a lower stability. To understand the structural basis of the reduced aggregation propensity and lower stability, the crystal structures of the Sso AcP variants were determined in the present study. Structural analysis reveals that the V84D and Y86E mutations exert protection by the insertion of an edge negative charge. A conformationally less regular B4 underlies protection against aggregation in the V84P mutant. The thermodynamic basis of instability is discussed. Moreover, kinetic experiments indicate that aggregation of the three mutants is not native-like and is independent of the interaction between B4 and the unstructured N-terminal segment. The reported data rationalize previous evidence regarding Sso AcP native-like aggregation and provide a basis for the design of aggregation-free proteins. The atomic coordinates and related experimental data for the Sso AcP mutants V84P, V84D, ΔN11 Y86E have been deposited in the Protein Data Bank under accession numbers 4OJ3, 4OJG and 4OJH, respectively. • Sso AcP and Sso AcP bind by fluorescence technology (View interaction). © 2014 FEBS.

Probing the electronic structures of [Cu2(mu-XR2)]n+ diamond cores as a function of the bridging X atom (X = N or P) and charge (n = 0, 1, 2).

PubMed

Harkins, Seth B; Mankad, Neal P; Miller, Alexander J M; Szilagyi, Robert K; Peters, Jonas C

2008-03-19

A series of dicopper diamond core complexes that can be isolated in three different oxidation states ([Cu2(mu-XR2)]n+, where n = 0, 1, 2 and X = N or P) is described. Of particular interest is the relative degree of oxidation of the respective copper centers and the bridging XR2 units, upon successive oxidations. These dicopper complexes feature terminal phosphine and either bridging amido or phosphido donors, and as such their metal-ligand bonds are highly covalent. Cu K-edge, Cu L-edge, and P K-edge spectroscopies, in combination with solid-state X-ray structures and DFT calculations, provides a complementary electronic structure picture for the entire set of complexes that tracks the involvement of a majority of ligand-based redox chemistry. The electronic structure picture that emerges for these inorganic dicopper diamond cores shares similarities with the Cu2(mu-SR)2 CuA sites of cytochrome c oxidases and nitrous oxide reductases.

First principles study of edge carboxylated graphene quantum dots

NASA Astrophysics Data System (ADS)

Abdelsalam, Hazem; Elhaes, Hanan; Ibrahim, Medhat A.

2018-05-01

The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated using density functional theory. The calculated binding energies show that the hexagonal clusters with armchair edges have the highest stability among all the quantum dots. The binding energy of carboxylated graphene quantum dots increases by increasing the number of carboxyl groups. Our study shows that the total dipole moment significantly increases by adding COOH with the highest value observed in triangular clusters. The edge states in triangular graphene quantum dots with zigzag edges produce completely different energy spectrum from other dots: (a) the energy gap in triangular zigzag is very small as compared to other clusters and (b) the highest occupied molecular orbital is localized at the edges which is in contrast to other clusters where it is distributed over the cluster surface. The enhanced reactivity and the controllable energy gap by shape and edge termination make graphene quantum dots ideal for various nanodevice applications such as sensors. The infrared spectra are presented to confirm the stability of the quantum dots.

Giant Electroresistance in Edge Metal-Insulator-Metal Tunnel Junctions Induced by Ferroelectric Fringe Fields

PubMed Central

Jung, Sungchul; Jeon, Youngeun; Jin, Hanbyul; Lee, Jung-Yong; Ko, Jae-Hyeon; Kim, Nam; Eom, Daejin; Park, Kibog

2016-01-01

An enormous amount of research activities has been devoted to developing new types of non-volatile memory devices as the potential replacements of current flash memory devices. Theoretical device modeling was performed to demonstrate that a huge change of tunnel resistance in an Edge Metal-Insulator-Metal (EMIM) junction of metal crossbar structure can be induced by the modulation of electric fringe field, associated with the polarization reversal of an underlying ferroelectric layer. It is demonstrated that single three-terminal EMIM/Ferroelectric structure could form an active memory cell without any additional selection devices. This new structure can open up a way of fabricating all-thin-film-based, high-density, high-speed, and low-power non-volatile memory devices that are stackable to realize 3D memory architecture. PMID:27476475

Very Short Peptides with Stable Folds

PubMed Central

Eidenschink, Lisa; Kier, Brandon L.; Huggins, Kelly N. L.; Andersen, Niels H.

2008-01-01

By combining a favorable turn sequence with a turn flanking Trp/Trp interaction and a C-terminal H-bonding interaction between a backbone amide and an i - 2 Trp ring, a particularly stable (ΔGU > 7 kJ/mol) truncated hairpin, Ac-WI-(D-Pro-D-Asn)-KWTG-NH2, results. In this construct and others with a W-(4-residue turn)-W motif in severely truncated hairpins, the C-terminal Trp is the edge residue in a well-defined face-to-edge (FtE) aryl/aryl interaction. Longer hairpins and those with six-residue turns retain the reversed “edge-to-face” Trp/Trp geometry first observed for the trpzip peptides. Mutational studies suggest that the W-(4-residue turn)-W interaction provides at least 3 kJ/mol of stabilization in excess of that due to the greater β-propensity of Trp. The β-propensity of Trp is context dependent; but, for the systems studied, always greater than that of Thr (by 0.4 - 4.7 kJ/mol). At non-H-bonded positions remote from the turn, two alternative edge-to-face geometries are observed and there is no evidence of additional stabilization due to the Trp/Trp interaction. The NMR structuring shift diagnostics of edge-to-face Trp/Trp, Trp/Lys π-cation, and Trp/Gly-HN interactions have been defined. The latter can give rise to > 3 ppm upfield shifts for the Gly-HN in -WXnG- units both in turns (n = 2) and at the C-termini (n = 1) of hairpins. Terminal YTG units result in somewhat smaller shifts (extrapolated to 2 ppm for 100% folding). In peptides with both the EtF and FtE W/W interaction geometries, Trp to Tyr mutations indicate that Trp is the preferred “face” residue in aryl/aryl pairings, presumably due to its greater π basicity. PMID:18831035

Heat treatment effect on the electronic and magnetic structures of nanographene sheets investigated through electron spectroscopy and conductance measurements.

PubMed

Takashiro, Jun-ichi; Kudo, Yasuhiko; Kaneko, Satoshi; Takai, Kazuyuki; Ishii, Takafumi; Kyotani, Takashi; Enoki, Toshiaki; Kiguchi, Manabu

2014-04-28

The heat treatment effect on the electronic and magnetic structures of a disordered network of nanographene sheets has been investigated by in situ measurements of X-ray photoemission spectroscopy, near-edge X-ray absorption fine structure (NEXAFS), and electrical conductance, together with temperature-programmed desorption measurements. Oxygen-containing functional groups bonded to nanographene edges in the pristine sample are almost completely decomposed under heat treatment up to 1300-1500 K, resulting in the formation of edges primarily terminated by hydrogen. The removal of the oxygen-containing groups enhances the conductance owing to the decrease in the electron transport barriers between nanographene sheets. Heat treatment above 1500 K removes also the hydrogen atoms from the edges, promoting the successive fusion of nanographene sheets at the expense of edges. The decrease in the π* peak width in NEXAFS indicates the progress of the fusion reaction, that is, the extension of the π-conjugation, which agrees with the increase in the orbital susceptibility previously reported. The fusion leads to the formation of local π/sp(2) bridges between nanographene sheets and brings about an insulator-to-metal transition at 1500-1600 K, at which the bridge network becomes infinite. As for the magnetism, the intensity of the edge state peak in NEXAFS, which corresponds to the number of the spin-polarized edge states, decreases above 1500 K, though the effective edge-state spin density per edge state starts decreasing at approximately 200 K lower than the temperature of the edge state peak change. This disagreement indicates the development of antiferromagnetic short range ordering as a precursor of a spin glass state near the insulator-metal transition, at which the random network of inter-nanographene-sheet exchange interactions strengthened with the formation of the π/sp(2) bridges becomes infinite.

Photonic and phononic surface and edge modes in three-dimensional phoxonic crystals

NASA Astrophysics Data System (ADS)

Ma, Tian-Xue; Wang, Yue-Sheng; Zhang, Chuanzeng

2018-04-01

We investigate the photonic and phononic surface and edge modes in finite-size three-dimensional phoxonic crystals. By appropriately terminating the phoxonic crystals, the photons and phonons can be simultaneously guided at the two-dimensional surface and/or the one-dimensional edge of the terminated crystals. The Bloch surface and edge modes show that the electromagnetic and acoustic waves are highly localized near the surface and edge, respectively. The surface and edge geometries play important roles in tailoring the dispersion relations of the surface and edge modes, and dual band gaps for the surface or edge modes can be simultaneously achieved by changing the geometrical configurations. Furthermore, as the band gaps for the bulk modes are the essential prerequisites for the realization of dual surface and edge modes, the photonic and phononic bulk-mode band gap properties of three different types of phoxonic crystals with six-connected networks are revealed. It is found that the geometrical characteristic of the crystals with six-connected networks leads to dual large bulk-mode band gaps. Compared with the conventional bulk modes, the surface and edge modes provide a new approach for the photon and phonon manipulation and show great potential for phoxonic crystal devices and optomechanics.

Electronic-Reconstruction-Enhanced Tunneling Conductance at Terrace Edges of Ultrathin Oxide Films.

PubMed

Wang, Lingfei; Kim, Rokyeon; Kim, Yoonkoo; Kim, Choong H; Hwang, Sangwoon; Cho, Myung Rae; Shin, Yeong Jae; Das, Saikat; Kim, Jeong Rae; Kalinin, Sergei V; Kim, Miyoung; Yang, Sang Mo; Noh, Tae Won

2017-11-01

Quantum mechanical tunneling of electrons across ultrathin insulating oxide barriers has been studied extensively for decades due to its great potential in electronic-device applications. In the few-nanometers-thick epitaxial oxide films, atomic-scale structural imperfections, such as the ubiquitously existed one-unit-cell-high terrace edges, can dramatically affect the tunneling probability and device performance. However, the underlying physics has not been investigated adequately. Here, taking ultrathin BaTiO 3 films as a model system, an intrinsic tunneling-conductance enhancement is reported near the terrace edges. Scanning-probe-microscopy results demonstrate the existence of highly conductive regions (tens of nanometers wide) near the terrace edges. First-principles calculations suggest that the terrace-edge geometry can trigger an electronic reconstruction, which reduces the effective tunneling barrier width locally. Furthermore, such tunneling-conductance enhancement can be discovered in other transition metal oxides and controlled by surface-termination engineering. The controllable electronic reconstruction can facilitate the implementation of oxide electronic devices and discovery of exotic low-dimensional quantum phases. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Anisotropic Etching of Hexagonal Boron Nitride and Graphene: Question of Edge Terminations.

PubMed

Stehle, Yijing Y; Sang, Xiahan; Unocic, Raymond R; Voylov, Dmitry; Jackson, Roderick K; Smirnov, Sergei; Vlassiouk, Ivan

2017-12-13

Chemical vapor deposition (CVD) has been established as the most effective way to grow large area two-dimensional materials. Direct study of the etching process can reveal subtleties of this competing with the growth reaction and thus provide the necessary details of the overall growth mechanism. Here we investigate hydrogen-induced etching of hBN and graphene and compare the results with the classical kinetic Wulff construction model. Formation of the anisotropically etched holes in the center of hBN and graphene single crystals was observed along with the changes in the crystals' circumference. We show that the edges of triangular holes in hBN crystals formed at regular etching conditions are parallel to B-terminated zigzags, opposite to the N-terminated zigzag edges of hBN triangular crystals. The morphology of the etched hBN holes is affected by a disbalance of the B/N ratio upon etching and can be shifted toward the anticipated from the Wulff model N-terminated zigzag by etching in a nitrogen buffer gas instead of a typical argon. For graphene, etched hexagonal holes are terminated by zigzag, while the crystal circumference is gradually changing from a pure zigzag to a slanted angle resulting in dodecagons.

A STEP fault in Central Betics, associated with lateral lithospheric tearing at the northern edge of the Gibraltar arc subduction system

NASA Astrophysics Data System (ADS)

Mancilla, Flor de Lis; Heit, Benjamin; Morales, Jose; Yuan, Xiaohui; Stich, Daniel; Molina-Aguilera, Antonio; Azañon, Jose Miguel; Martín, Rosa

2018-03-01

We study the crustal and lithospheric mantle structure under central Betics in the westernmost Mediterranean region by migrating P-receiver functions along a dense seismic profile (∼2 km interstation distance). The profile, North-South oriented, probes the crustal structure of different geological units, from the Alboran domain in the south with metamorphic rocks, through the External Zones with sedimentary rocks to the Variscan terrains of the Iberian Massif in the north. From north to south, the Moho depth increases from ∼30 km to ∼46 km underneath the Guadix basin, due to the underthrusting of the Iberian crust below the Alboran crust, and suddenly shallows to ∼30 km underneath the Internal Zones with a step of 17 km. This sharp Moho step correlates well with a lithospheric step of ∼40 km, where the thickness of the lithosphere changes abruptly from ∼100 km in the north to ∼50 km in the south. We interpret this sharp and prominent lithospheric step as the termination of the Iberian lithosphere caused by a near-vertical STEP (Subduction-Transform-Edge-Propagator) fault that continues towards the surface as a positive flower tectonic structure of crustal scale. This STEP fault is located at the northern edge of the narrow Westernmost Mediterranean subduction system facilitating the slab rollback motion towards the west. The sharp termination of the Iberian lithosphere occurs under the contact between the Alpujarride and the Nevado-Filabride complexes of the Alboran domain in an ENE-WSW right-lateral transpressive shear zone. The thickest crust and lithosphere do not correlate with the highest topography along the profile suggesting that this high topography is a combined effect of the positive flower structure, and the push up of the asthenosphere produced by the removal of the Iberian lithosphere.

Structure of a human pulmonary acinus.

PubMed

Berend, N; Rynell, A C; Ward, H E

1991-02-01

The structure of the human pulmonary acinus has been described infrequently. The aim of the study was to determine the branching pattern of respiratory bronchioles and alveolar ducts in a human acinus from the peripheral part of the lung, where space constraints may have affected airway branching patterns. The lungs were obtained from an 18 year old victim of a motor vehicle accident and fixed in inflation under a pressure of 25 cm H2O. A block was cut from the lower edge of the right lower lobe and embedded in plastic. Serial sections were cut and the branching pattern of airways subtended by a terminal bronchiole were followed. The acinus was bounded on two sides by pleura and on the remaining sides by connective tissue septa. The terminal bronchiole divided into two respiratory bronchioles, each of which gave rise to four systems of alveolar ducts. Between successive systems of alveolar ducts the respiratory bronchioles continued as single airways, becoming progressively more alveolated towards the periphery but not subtending further branches of respiratory bronchioles. The duct systems became less complex towards the periphery, near to the edge of the lung. The total volume of the acinus was similar to that found in previous studies. This branching pattern has not been described previously in a human acinus.

Molecular simulations of lipid systems: Edge stability and structure in pure and mixed bilayers

NASA Astrophysics Data System (ADS)

Jiang, Yong

2007-12-01

Understanding the structural, mechanical and dynamical properties of lipid self-assembled systems is fundamental to understand the behavior of the cell membrane. This thesis has investigated the equilibrium properties of lipid systems with edge defects through various molecular simulation techniques. The overall goal of this study is to understand the free energy terms of the edges and to develop efficient methods to sample equilibrium distributions of mixed-lipid systems. In the first main part of my thesis, an atomistic molecular model is used to study lipid ribbon which has two edges on both sides. Details of the edge structures, such as area per lipid and tail torsional statistics are presented. Line tension, calculated from pressure tensor in MD simulation has good agreement with result from other sources. To further investigate edge properties on a longer timescale and larger length scale, we have applied a coarse-grained forcefield on mixed lipid systems and try to interpret the edge fluctuations in terms of free energy parameters such as line tension and bending modulus. We have identified two regimes with quite different edge behavior: a high line tension regime and a low line tension regime. The last part of this thesis focuses on a hybrid Molecular dynamics and Configurational-bias Monte Carlo (MCMD) simulation method in which molecules can change their type by growing and shrinking the terminal acyl united carbon atoms. A two-step extension of the MCMD method has been developed to allow for a larger difference in the components' tail lengths. Results agreed well with previous one-step mutation results for a mixture with a length difference of four carbons. The current method can efficiently sample mixtures with a length difference of eight carbons, with a small portion of lipids of intermediate tail length. Preliminary results are obtained for "bicelle"-type (DMPC/DHPC) ribbons.

Magnetic-Field-Tunable Superconducting Rectifier

NASA Technical Reports Server (NTRS)

Sadleir, John E.

2009-01-01

Superconducting electronic components have been developed that provide current rectification that is tunable by design and with an externally applied magnetic field to the circuit component. The superconducting material used in the device is relatively free of pinning sites with its critical current determined by a geometric energy barrier to vortex entry. The ability of the vortices to move freely inside the device means this innovation does not suffer from magnetic hysteresis effects changing the state of the superconductor. The invention requires a superconductor geometry with opposite edges along the direction of current flow. In order for the critical current asymmetry effect to occur, the device must have different vortex nucleation conditions at opposite edges. Alternative embodiments producing the necessary conditions include edges being held at different temperatures, at different local magnetic fields, with different current-injection geometries, and structural differences between opposite edges causing changes in the size of the geometric energy barrier. An edge fabricated with indentations of the order of the coherence length will significantly lower the geometric energy barrier to vortex entry, meaning vortex passage across the device at lower currents causing resistive dissipation. The existing prototype is a two-terminal device consisting of a thin-film su - perconducting strip operating at a temperature below its superconducting transition temperature (Tc). Opposite ends of the strip are connected to electrical leads made of a higher Tc superconductor. The thin-film lithographic process provides an easy means to alter edge-structures, current-injection geo - metries, and magnetic-field conditions at the edges. The edge-field conditions can be altered by using local field(s) generated from dedicated higher Tc leads or even using the device s own higher Tc superconducting leads.

Anisotropic Etching of Hexagonal Boron Nitride and Graphene: Question of Edge Terminations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stehle, Yijing Y.; Sang, Xiahan; Unocic, Raymond R.

Here, chemical vapor deposition (CVD) has been established as the most effective way to grow large area two-dimensional materials. Direct study of the etching process can reveal subtleties of this competing with the growth reaction and thus provide the necessary details of the overall growth mechanism. Here we investigate hydrogen-induced etching of hBN and graphene and compare the results with the classical kinetic Wulff construction model. Formation of the anisotropically etched holes in the center of hBN and graphene single crystals was observed along with the changes in the crystals' circumference. We show that the edges of triangular holes inmore » hBN crystals formed at regular etching conditions are parallel to B-terminated zigzags, opposite to the N-terminated zigzag edges of hBN triangular crystals. The morphology of the etched hBN holes is affected by a disbalance of the B/N ratio upon etching and can be shifted toward the anticipated from the Wulff model N-terminated zigzag by etching in a nitrogen buffer gas instead of a typical argon. For graphene, etched hexagonal holes are terminated by zigzag, while the crystal circumference is gradually changing from a pure zigzag to a slanted angle resulting in dodecagons.« less

Anisotropic Etching of Hexagonal Boron Nitride and Graphene: Question of Edge Terminations

DOE PAGES

Stehle, Yijing Y.; Sang, Xiahan; Unocic, Raymond R.; ...

2017-11-14

Here, chemical vapor deposition (CVD) has been established as the most effective way to grow large area two-dimensional materials. Direct study of the etching process can reveal subtleties of this competing with the growth reaction and thus provide the necessary details of the overall growth mechanism. Here we investigate hydrogen-induced etching of hBN and graphene and compare the results with the classical kinetic Wulff construction model. Formation of the anisotropically etched holes in the center of hBN and graphene single crystals was observed along with the changes in the crystals' circumference. We show that the edges of triangular holes inmore » hBN crystals formed at regular etching conditions are parallel to B-terminated zigzags, opposite to the N-terminated zigzag edges of hBN triangular crystals. The morphology of the etched hBN holes is affected by a disbalance of the B/N ratio upon etching and can be shifted toward the anticipated from the Wulff model N-terminated zigzag by etching in a nitrogen buffer gas instead of a typical argon. For graphene, etched hexagonal holes are terminated by zigzag, while the crystal circumference is gradually changing from a pure zigzag to a slanted angle resulting in dodecagons.« less

Anomalous Insulator-Metal Transition in Boron Nitride-Graphene Hybrid Atomic Layers

DTIC Science & Technology

2012-08-13

REPORT Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers 14 . ABSTRACT 16. SECURITY CLASSIFICATION OF: The study of...from the DFT calculation. The calculated transmission through a N terminated zigzag edged h-BN nanodomain embedded in graphene is shown in Fig. 14 , with...Energy ε − ε F (eV) 0 0.5 1 1.5 2 Tr an sm is si on FIG. 14 . (Color online) Transmission through a N terminated zigzag edged h-BN nanodomain embedded in

Structure of the manganese complex in photosystem II: insights from X-ray spectroscopy.

PubMed Central

Yachandra, Vittal K

2002-01-01

We have used Mn K-edge absorption and Kbeta emission spectroscopy to determine the oxidation states of the Mn complex in the various S states. We have started exploring the new technique of resonant inelastic X-ray scattering spectroscopy; this technique can be characterized as a Raman process that uses K-edge energies (1s to 4p, ca. 6550 eV) to obtain L-edge-like spectra (2p to 3d, ca. 650 eV). The relevance of these data to the oxidation states and structure of the Mn complex is presented. We have obtained extended X-ray absorption fine structure data from the S(0) and S(3) states and observed heterogeneity in the Mn-Mn distances leading us to conclude that there may be three rather than two di-mu-oxo-bridged units present per tetranuclear Mn cluster. In addition, we have obtained data using Ca and Sr X-ray spectroscopy that provide evidence for a heteronuclear Mn-Ca cluster. The possibility of three di-mu-oxo-bridged Mn-Mn moieties and the proximity of Ca is incorporated into developing structural models for the Mn cluster. The involvement of bridging and terminal O ligands of Mn in the mechanism of oxygen evolution is discussed in the context of our X-ray spectroscopy results. PMID:12437873

Aqueous solubility diagrams for cementitious waste stabilization systems. 3. Mechanism of zinc immobilizaton by calcium silicate hydrate.

PubMed

Tommaseo, C E; Kersten, M

2002-07-01

Zinc oxide was added during hydration of alite (C3S) as an analogue for solidification/stabilization by cement of metal-bearing hazardous waste. Curing of samples was stopped at various intervals between 8 h and 100 d, and the reaction products were analyzed by both X-ray diffraction (XRD) and X-ray absorption spectroscopy (EXAFS at Zn, Ca, and Si K-edges). Calcium zincate hydrate (CaZn2(OH)6 x 2H2O) initially formed together with calcium silicate hydrate (CSH) vanishes from X-ray diffractograms after 14 d, and no other crystalline Zn-bearing phase could be detected thereafter. EXAFS Zn K-edge data analysis reveals that Zn(O,OH)4 tetrahedra continue to determine the first shell coordination. However, a new Zn-Si bond appears in the second coordination shell as indicated by both Zn K-edge and Si K-edge EXAFS. Together with the Ca-Zn and Ca-Ca shells derived from the Ca K-edge EXAFS spectra, a structural model for the site occupation of Zn in CSH is proposed, whereby the Zn(O,OH)4 tetrahedra are bound in layer rather than interlayer positions substituting for the silicate bridging tetrahedra and/or at terminal silicate chain sites. This structural model enables ultimately the formulation of a thermodyamic Lippmann model to predict the aqueous solubility of Zn in solid solution with a CSH phase of a Ca/Si ratio fixed to unity.

Time-dependent density-functional theory simulation of local currents in pristine and single-defect zigzag graphene nanoribbons

DOE Office of Scientific and Technical Information (OSTI.GOV)

He, Shenglai, E-mail: shenglai.he@vanderbilt.edu; Russakoff, Arthur; Li, Yonghui

2016-07-21

The spatial current distribution in H-terminated zigzag graphene nanoribbons (ZGNRs) under electrical bias is investigated using time-dependent density-functional theory solved on a real-space grid. A projected complex absorbing potential is used to minimize the effect of reflection at simulation cell boundary. The calculations show that the current flows mainly along the edge atoms in the hydrogen terminated pristine ZGNRs. When a vacancy is introduced to the ZGNRs, loop currents emerge at the ribbon edge due to electrons hopping between carbon atoms of the same sublattice. The loop currents hinder the flow of the edge current, explaining the poor electric conductancemore » observed in recent experiments.« less

Functionalization of nanocrystalline diamond films with phthalocyanines

NASA Astrophysics Data System (ADS)

Petkov, Christo; Reintanz, Philipp M.; Kulisch, Wilhelm; Degenhardt, Anna Katharina; Weidner, Tobias; Baio, Joe E.; Merz, Rolf; Kopnarski, Michael; Siemeling, Ulrich; Reithmaier, Johann Peter; Popov, Cyril

2016-08-01

Phthalocyanine (Pc) derivatives containing different central metal atoms (Mn, Cu, Ti) and different peripheral chains were synthesized and comprehensively characterized. Their interaction with nanocrystalline diamond (NCD) films, as-grown by hot-filament chemical vapor deposition or after their modification with oxygen plasma to exchange the hydrogen termination with oxygen-containing groups, was studied by X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The elemental composition as determined by XPS showed that the Pc were grafted on both as-grown and O-terminated NCD. Mn, Cu and Ti were detected together with N stemming from the Pc ring and S in case of the Ti-Pc from the peripheral ligands. The results for the elemental surface composition and the detailed study of the N 1s, S 2p and O 1s core spectra revealed that Ti-Pc grafted better on as-grown NCD but Cu-Pc and Mn-Pc on O-terminated films. Samples of Mn-Pc on as-grown and O-terminated NCD were further investigated by NEXAFS spectroscopy. The results showed ordering of the grafted molecules, laying flat on the H-terminated NCD surface while only the macrocycles were oriented parallel to the O-terminated surface with the peripheral chains perpendicular to it.

Density functional theory calculations for armchair stanene nanoribbons with fluorine and sulfur functionalization

NASA Astrophysics Data System (ADS)

Zhang, J.; Lang, X. Y.; Jiang, Q.

2018-07-01

A systematic density functional theory calculation has been carried out to study the effect of edge terminating of F and S elements with different edge natures on the structure and electronic properties of armchair stanene nanoribbons (ASnNRs). Moreover, the corresponding size (ribbon width Na) dependence on these properties is also considered. The energy gap was found to be oscillated as a function of Na and could be classified into three distinct groups of 3m, 3m + 1 and 3m + 2. In addition, the energy gaps of ASnNRs saturated by S atoms differ from that did by F and H atoms in vibration trends as well VBM and CBM changes, where the energy gap is a direct energy gap with a moderate size.

Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.

PubMed

González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W Brian; Malone, John F

2017-02-07

By comparison with close contact interactions between benzene rings there is a paucity of experimental data available for attractive interactions involving aromatic heterocyclic rings, especially for small molecules in solution. Herein we describe aromatic heterocyclic and carbocyclic edge-to face interactions and conformational stereodynamics of N-1,2-diphenylethyl imines bearing a phenyl group and either a 2-pyridyl, 3-pyridyl, 2-thiophene or 2-furanyl moiety on the imino carbon. X-ray crystal structures have been determined for two compounds. Slow rotation about the phenyl-imino bond in the E-isomers and around the heterocycle-imino bond in the Z-isomers of the pyridyl compounds was observed at low temperatures by NMR. Abnormally large shielding of one ortho hydrogen indicates that both the imino phenyl and heterocycle rings can engage in an edge-to-face interaction with the N-terminal phenyl moiety in the appropriate isomer. Some rotational barriers around the phenyl-imino and heterocycle-imino bonds were measured.

Magnetic field analysis of the bow and terminal shock of the SS 433 jet

NASA Astrophysics Data System (ADS)

Sakemi, Haruka; Machida, Mami; Akahori, Takuya; Nakanishi, Hiroyuki; Akamatsu, Hiroki; Kurahara, Kohei; Farnes, Jamie

2018-03-01

We report a polarization analysis of the eastern region of W 50, observed with the Australia Telescope Compact Array (ATCA) at 1.4-3.0 GHz. In order to study the physical structures in the region where the SS 433 jet and W 50 interact, we obtain an intrinsic magnetic field vector map of that region. We find that the orientation of the intrinsic magnetic field vectors are aligned along the total intensity structures, and that there are characteristic, separate structures related to the jet, the bow shock, and the terminal shock. The Faraday rotation measures (RMs), and the results of Faraday tomography suggest that a high-intensity, filamentary structure in the north-south direction of the eastern-edge region can be separated into at least two parts to the north and south. The results of Faraday tomography also show that there are multiple components along the line of sight and/or within the beam area. In addition, we analyze the X-ray ring-like structure observed with XMM-Newton. While the possibility still remains that this X-ray ring is "real", it seems that the structure is not ring-like at radio wavelengths. Finally, we suggest that the structure is a part of the helical structure that coils the eastern ear of W 50.

Structural characterization of the N-terminal mineral modification domains from the molluscan crystal-modulating biomineralization proteins, AP7 and AP24.

PubMed

Wustman, Brandon A; Morse, Daniel E; Evans, John Spencer

2004-08-05

The AP7 and AP24 proteins represent a class of mineral-interaction polypeptides that are found in the aragonite-containing nacre layer of mollusk shell (H. rufescens). These proteins have been shown to preferentially interfere with calcium carbonate mineral growth in vitro. It is believed that both proteins play an important role in aragonite polymorph selection in the mollusk shell. Previously, we demonstrated the 1-30 amino acid (AA) N-terminal sequences of AP7 and AP24 represent mineral interaction/modification domains in both proteins, as evidenced by their ability to frustrate calcium carbonate crystal growth at step edge regions. In this present report, using free N-terminal, C(alpha)-amide "capped" synthetic polypeptides representing the 1-30 AA regions of AP7 (AP7-1 polypeptide) and AP24 (AP24-1 polypeptide) and NMR spectroscopy, we confirm that both N-terminal sequences possess putative Ca (II) interaction polyanionic sequence regions (2 x -DD- in AP7-1, -DDDED- in AP24-1) that are random coil-like in structure. However, with regard to the remaining sequences regions, each polypeptide features unique structural differences. AP7-1 possesses an extended beta-strand or polyproline type II-like structure within the A11-M10, S12-V13, and S28-I27 sequence regions, with the remaining sequence regions adopting a random-coil-like structure, a trait common to other polyelectrolyte mineral-associated polypeptide sequences. Conversely, AP24-1 possesses random coil-like structure within A1-S9 and Q14-N16 sequence regions, and evidence for turn-like, bend, or loop conformation within the G10-N13, Q17-N24, and M29-F30 sequence regions, similar to the structures identified within the putative elastomeric proteins Lustrin A and sea urchin spicule matrix proteins. The similarities and differences in AP7 and AP24 N-terminal domain structure are discussed with regard to joint AP7-AP24 protein modification of calcium carbonate growth. Copyright 2004 Wiley Periodicals, Inc.

Enrichment of magnetic particles using temperature and magnetic field gradients induced by benchtop fabricated micro-electromagnets.

PubMed

Hosseini, A; Philpott, D N; Soleymani, L

2017-11-21

The active transport of analytes inside biosensing systems is important for reducing the response time and enhancing the limit-of-detection of these systems. Due to the ease of functionalization with bio-recognition agents and manipulation with magnetic fields, magnetic particles are widely used for active and directed transport of biological analytes. On-chip active electromagnets are ideally suited for manipulating magnetic particles in an automated and miniaturized fashion inside biosensing systems. Unfortunately, the magnetic force exerted by these devices decays rapidly as we move away from the device edges, and increasing the generated force to the levels necessary for particle manipulation requires a parallel increase in the applied current and the resultant Joule heating. In this paper, we designed a study to understand the combined role of thermal and magnetic forces on the movement of magnetic particles in order to extend the interaction distance of on-chip magnetic devices beyond the device edges. For this purpose, we used a rapid prototyping method to create an active/passive on-chip electromagnet with a micro/nano-structured active layer and a patterned ferromagnetic passive layer. We demonstrated that the measured terminal velocities of particles positioned near the electromagnet edge (∼5.5 μm) closely reflect the values obtained by multi-physics modelling. Interestingly, we observed a two orders of magnitude deviation between the experimental and modelling results for the terminal velocities of particles far from the electromagnet edge (∼55.5 μm). Heat modelling of the system using experimentally-measured thermal gradients indicates that this discrepancy is related to the enhanced fluid movement caused by thermal forces. This study enables the rational design of thermo-magnetic systems for thermally driving and magnetically capturing particles that are positioned at distances tens to hundreds of microns away from the edges of on-chip magnetic devices.

78 FR 39633 - Airworthiness Directives; The Boeing Company Airplanes

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-02

...We propose to supersede three existing airworthiness directives (ADs) that apply to The Boeing Company Model 757-200, - 200PF, and -200CB series airplanes. The existing ADs currently require repetitive inspections and audible tap tests of the upper and lower skins of the trailing edge wedges on certain slats, and related investigative and corrective actions if necessary. Since we issued these ADs, we have received reports of slats disbonding on airplanes on which the terminating actions of the existing ADs were completed and also reports of slats disbonding on airplanes outside of the applicability of the existing ADs. This proposed AD would require a determination of the type of trailing edge wedges of the leading edge slats, repetitive inspections on certain trailing edge wedges for areas of skin-to-core disbonding, and corrective actions if necessary. This proposed AD would also provide an optional terminating action for the repetitive inspections. This AD would revise the applicability of the existing ADs to include additional airplanes. We are proposing this AD to prevent delamination of the trailing edge wedge of the leading edge slats, possible loss of pieces of the trailing edge wedge assembly during flight, reduction of the reduced maneuver and stall margins, and consequent reduced controllability of the airplane.

Improved liquid-film electron stripper

DOEpatents

Gavin, B.F.

1984-11-01

An improved liquid-film electron stripper particularly for high intensity heavy ion beams which produces constant regenerated, stable, free-standing liquid films having an adjustable thickness between 0.3 to 0.05 microns. The improved electron stripper is basically composed of at least one high speed, rotating disc with a very sharp, precision-like, ground edge on one side of the disc's periphery and with highly polished, flat, radial surface adjacent the sharp edge. A fine stream of liquid, such as oil, impinges at a 90/sup 0/ angle adjacent the disc's sharp outer edge. Film terminators, located at a selected distance from the disc perimeter are positioned approximately perpendicular to the film. The terminators support, shape, and stretch the film and are arranged to assist in the prevention of liquid droplet formation by directing the collected film to a reservoir below without breaking or interfering with the film. One embodiment utilizes two rotating discs and associated terminators, with the discs rotating so as to form films in opposite directions, and with the second disc being located down beam-line relative to the first disc.

Liquid-film electron stripper

DOEpatents

Gavin, Basil F.

1986-01-01

An improved liquid-film electron stripper particularly for high intensity heavy ion beams which produces constant regenerated, stable, free-standing liquid films having an adjustable thickness between 0.3 to 0.05 microns. The improved electron stripper is basically composed of at least one high speed, rotating disc with a very sharp, precision-like, ground edge on one said of the disc's periphery and with a highly polished, flat, radial surface adjacent the sharp edge. A fine stream of liquid, such as oil, impinges at a 90.degree. angle adjacent the disc's sharp outer edge. Film terminators, located at a selected distance from the disc perimeter are positioned approximately perpendicular to the film. The terminators support, shape, and stretch the film and are arranged to assist in the prevention of liquid droplet formation by directing the collected film to a reservoir below without breaking or interfering with the film. One embodiment utilizes two rotating discs and associated terminators, with the discs rotating so as to form films in opposite directions, and with the second disc being located down beam-line relative to the first disc.

Effect of growth pressure on the synthesis of vertically aligned carbon nanotubes and their growth termination.

PubMed

Park, Sangeun; Song, Wooseok; Kim, Yooseok; Song, Inkyung; Kim, Sung Hwan; Lee, Su Il; Jang, Sung Won; Parkl, Chong-Yun

2014-07-01

When vertically aligned carbon nanotubes (VACNTs) are synthesized by thermal chemical vapor deposition (TCVD), their structural features such as height and density can be determined by TCVD growth conditions. In this study we investigated the effect of growth pressure on the structural features of VACNTs. Changes in growth pressure significantly affected the height, density, and crystalinity of synthesized VACNTs. In addition, we suggest that the growth termination of VACNTs could be due to the lack of carbon feedstock supply to the center of the VACNT film induced by the pressure-dependent adsorption of amorphous carbon at the edge of the VACNT film. In addition, the field emission characteristics of the VACNT film were carried out. The turn-on voltage of the VACNT film was 1.62 V/microm and the field enhancement factor (beta) was 2478. These results provide useful information for practical applications of VACNTs, such as field emission display and X-ray source.

Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate

PubMed Central

2016-01-01

The surfaces of metal oxides often are reconstructed with a geometry and composition that is considerably different from a simple termination of the bulk. Such structures can also be viewed as ultrathin films, epitaxed on a substrate. Here, the reconstructions of the SrTiO3 (110) surface are studied combining scanning tunneling microscopy (STM), transmission electron diffraction, and X-ray absorption spectroscopy (XAS), and analyzed with density functional theory calculations. Whereas SrTiO3 (110) invariably terminates with an overlayer of titania, with increasing density its structure switches from n × 1 to 2 × n. At the same time the coordination of the Ti atoms changes from a network of corner-sharing tetrahedra to a double layer of edge-shared octahedra with bridging units of octahedrally coordinated strontium. This transition from the n × 1 to 2 × n reconstructions is a transition from a pseudomorphically stabilized tetrahedral network toward an octahedral titania thin film with stress-relief from octahedral strontia units at the surface. PMID:26954064

Fuel cell design and assembly

DOEpatents

Myerhoff, Alfred

1984-01-01

The present invention is directed to a novel bipolar cooling plate, fuel cell design and method of assembly of fuel cells. The bipolar cooling plate used in the fuel cell design and method of assembly has discrete opposite edge and means carried by the plate defining a plurality of channels extending along the surface of the plate toward the opposite edges. At least one edge of the channels terminates short of the edge of the plate defining a recess for receiving a fastener.

Electronic structure of hydrogenated diamond: Microscopical insight into surface conductivity

NASA Astrophysics Data System (ADS)

Iacobucci, S.; Alippi, Paola; Calvani, P.; Girolami, M.; Offi, F.; Petaccia, L.; Trucchi, D. M.

2016-07-01

We have correlated the surface conductivity of hydrogen-terminated diamond to the electronic structure in the Fermi region. Significant density of electronic states (DOS) in proximity of the Fermi edge has been measured by photoelectron spectroscopy (PES) on surfaces exposed to air, corresponding to a p -type electric conductive regime, while upon annealing a depletion of the DOS has been achieved, resembling the diamond insulating state. The surface and subsurface electronic structure has been determined, exploiting the different probing depths of PES applied in a photon energy range between 7 and 31 eV. Ab initio density functional calculations including surface charge depletion and band-bending effects favorably compare with electronic states measured by angular-resolved photoelectron spectroscopy. Such states are organized in the energy-momentum space in a twofold structure: one, bulk-derived, band disperses in the Γ -X direction with an average hole effective mass of (0.43 ±0.02 ) m0 , where m0 is the bare electron mass; a second flatter band, with an effective mass of (2.2 ±0.9 ) m0 , proves that a hole gas confined in the topmost layers is responsible for the conductivity of the (2 ×1 ) hydrogen-terminated diamond (100 ) surface.

Image Processing for Planetary Limb/Terminator Extraction

NASA Technical Reports Server (NTRS)

Udomkesmalee, S.; Zhu, D. Q.; Chu, C. -C.

1995-01-01

A novel image segmentation technique for extracting limb and terminator of planetary bodies is proposed. Conventional edge- based histogramming approaches are used to trace object boundaries. The limb and terminator bifurcation is achieved by locating the harmonized segment in the two equations representing the 2-D parameterized boundary curve. Real planetary images from Voyager 1 and 2 served as representative test cases to verify the proposed methodology.

Structural Analysis of the Mn(IV)/Fe(III) Cofactor of Chlamydia Trachomatis Ribonucleotide Reductase By Extended X-Ray Absorption Fine Structure Spectroscopy And Density Functional Theory Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Younker, J.M.; Krest, C.M.; Jiang, W.

2009-05-28

The class Ic ribonucleotide reductase from Chlamydia trachomatis (C{bar A}) uses a stable Mn(lV)/ Fe(lll) cofactor to initiate nucleotide reduction by a free-radical mechanism. Extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional theory (DFT) calculations are used to postulate a structure for this cofactor. Fe and Mn K-edge EXAFS data yield an intermetallic distance of -2.92 {angstrom}. The Mn data also suggest the presence of a short 1.74 {angstrom} Mn-O bond. These metrics are compared to the results of DFT calculations on 12 cofactor models derived from the crystal structure of the inactive Fe2(lll/ III) form of themore » protein. Models are differentiated by the protonation states of their bridging and terminal OH{sub x} ligands as well as the location of the Mn(lV) ion (site 1 or 2). The models that agree best with experimental observation feature a{mu}-1, 3-carboxylate bridge (E120), terminal solvent (H{sub 2}O/OH) to site 1, one {mu}-O bridge, and one {mu}-OH bridge. The site-placement of the metal ions cannot be discerned from the available data.« less

Continuous Growth of Hexagonal Graphene and Boron Nitride In-Plane Heterostructures by Atmospheric Pressure Chemical Vapor Deposition

PubMed Central

Han, Gang Hee; Rodríguez-Manzo, Julio A.; Lee, Chan-Woo; Kybert, Nicholas J.; Lerner, Mitchell B.; Qi, Zhengqing John; Dattoli, Eric N.; Rappe, Andrew M.; Drndic, Marija; Charlie Johnson, A. T.

2013-01-01

Graphene-boron nitride monolayer heterostructures contain adjacent electrically active and insulating regions in a continuous, single-atom thick layer. To date structures were grown at low pressure, resulting in irregular shapes and edge direction, so studies of the graphene-boron nitride interface were restricted to microscopy of nano-domains. Here we report templated growth of single crystalline hexagonal boron nitride directly from the oriented edge of hexagonal graphene flakes by atmospheric pressure chemical vapor deposition, and physical property measurements that inform the design of in-plane hybrid electronics. Ribbons of boron nitride monolayer were grown from the edge of a graphene template and inherited its crystallographic orientation. The relative sharpness of the interface was tuned through control of growth conditions. Frequent tearing at the graphene-boron nitride interface was observed, so density functional theory was used to determine that the nitrogen-terminated interface was prone to instability during cool down. The electronic functionality of monolayer heterostructures was demonstrated through fabrication of field effect transistors with boron nitride as an in-plane gate dielectric. PMID:24182310

Continuous growth of hexagonal graphene and boron nitride in-plane heterostructures by atmospheric pressure chemical vapor deposition.

PubMed

Han, Gang Hee; Rodríguez-Manzo, Julio A; Lee, Chan-Woo; Kybert, Nicholas J; Lerner, Mitchell B; Qi, Zhengqing John; Dattoli, Eric N; Rappe, Andrew M; Drndic, Marija; Johnson, A T Charlie

2013-11-26

Graphene-boron nitride monolayer heterostructures contain adjacent electrically active and insulating regions in a continuous, single-atom thick layer. To date structures were grown at low pressure, resulting in irregular shapes and edge direction, so studies of the graphene-boron nitride interface were restricted to the microscopy of nanodomains. Here we report templated growth of single crystalline hexagonal boron nitride directly from the oriented edge of hexagonal graphene flakes by atmospheric pressure chemical vapor deposition, and physical property measurements that inform the design of in-plane hybrid electronics. Ribbons of boron nitride monolayer were grown from the edge of a graphene template and inherited its crystallographic orientation. The relative sharpness of the interface was tuned through control of growth conditions. Frequent tearing at the graphene-boron nitride interface was observed, so density functional theory was used to determine that the nitrogen-terminated interface was prone to instability during cool down. The electronic functionality of monolayer heterostructures was demonstrated through fabrication of field effect transistors with boron nitride as an in-plane gate dielectric.

Observation of Flat Electron Temperature Profiles in the Lithium Tokamak Experiment

DOE PAGES

Boyle, D. P.; Majeski, R.; Schmitt, J. C.; ...

2017-07-05

It has been predicted for over a decade that low-recycling plasma-facing components in fusion devices would allow high edge temperatures and flat or nearly flat temperature profiles. In recent experiments with lithium wall coatings in the Lithium Tokamak Experiment (LTX), a hot edge ( > 200 eV ) and flat electron temperature profiles have been measured following the termination of external fueling. In this work, reduced recycling was demonstrated by retention of ~ 60% of the injected hydrogen in the walls following the discharge. Electron energy confinement followed typical Ohmic confinement scaling during fueling, but did not decrease with densitymore » after fueling terminated, ultimately exceeding the scaling by ~ 200% . Lastly, achievement of the low-recycling, hot edge regime has been an important goal of LTX and lithium plasma-facing component research in general, as it has potentially significant implications for the operation, design, and cost of fusion devices.« less

Observation of Flat Electron Temperature Profiles in the Lithium Tokamak Experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boyle, D. P.; Majeski, R.; Schmitt, J. C.

It has been predicted for over a decade that low-recycling plasma-facing components in fusion devices would allow high edge temperatures and flat or nearly flat temperature profiles. In recent experiments with lithium wall coatings in the Lithium Tokamak Experiment (LTX), a hot edge ( > 200 eV ) and flat electron temperature profiles have been measured following the termination of external fueling. In this work, reduced recycling was demonstrated by retention of ~ 60% of the injected hydrogen in the walls following the discharge. Electron energy confinement followed typical Ohmic confinement scaling during fueling, but did not decrease with densitymore » after fueling terminated, ultimately exceeding the scaling by ~ 200% . Lastly, achievement of the low-recycling, hot edge regime has been an important goal of LTX and lithium plasma-facing component research in general, as it has potentially significant implications for the operation, design, and cost of fusion devices.« less

Magnetic edge states in Aharonov-Bohm graphene quantum rings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farghadan, R., E-mail: rfarghadan@kashanu.ac.ir; Heidari Semiromi, E.; Saffarzadeh, A.

2013-12-07

The effect of electron-electron interaction on the electronic structure of Aharonov-Bohm (AB) graphene quantum rings (GQRs) is explored theoretically using the single-band tight-binding Hamiltonian and the mean-field Hubbard model. The electronic states and magnetic properties of hexagonal, triangular, and circular GQRs with different sizes and zigzag edge terminations are studied. The results show that, although the AB oscillations in the all types of nanoring are affected by the interaction, the spin splitting in the AB oscillations strongly depends on the geometry and the size of graphene nanorings. We found that the total spin of hexagonal and circular rings is zeromore » and therefore, no spin splitting can be observed in the AB oscillations. However, the non-zero magnetization of the triangular rings breaks the degeneracy between spin-up and spin-down electrons, which produces spin-polarized AB oscillations.« less

X-Ray Structure of the Human Calreticulin Globular Domain Reveals a Peptide-Binding Area and Suggests a Multi-Molecular Mechanism

PubMed Central

Chouquet, Anne; Païdassi, Helena; Ling, Wai Li; Frachet, Philippe; Houen, Gunnar; Arlaud, Gérard J.; Gaboriaud, Christine

2011-01-01

In the endoplasmic reticulum, calreticulin acts as a chaperone and a Ca2+-signalling protein. At the cell surface, it mediates numerous important biological effects. The crystal structure of the human calreticulin globular domain was solved at 1.55 Å resolution. Interactions of the flexible N-terminal extension with the edge of the lectin site are consistently observed, revealing a hitherto unidentified peptide-binding site. A calreticulin molecular zipper, observed in all crystal lattices, could further extend this site by creating a binding cavity lined by hydrophobic residues. These data thus provide a first structural insight into the lectin-independent binding properties of calreticulin and suggest new working hypotheses, including that of a multi-molecular mechanism. PMID:21423620

EXAFS and XANES investigation of the ETS-10 microporous titanosilicate.

PubMed

Prestipino, C; Solari, P L; Lamberti, C

2005-07-14

In this work, we report state-of-the-art analysis of both Ti K-edge high-resolution XANES and EXAFS data collected on the ETS-10 molecular sieve at the GILDA BM8 beamline of the ESRF facility. The interatomic distances and the angles obtained in our EXAFS study are in fair agreement with the single-crystal XRD data of Wang and Jacobson (Chem. Commun. 1999, 973) and with the recent ab initio periodic study of Damin et al. (J. Phys. Chem. B 2004, 108, 1328) Differently from previous EXAFS work (J. Phys. Chem. 1996, 100, 449), our study supports a model of ETS-10 where the Ti atoms are bonded with two equivalent axial oxygen atoms. This model is also able to reproduce the edge and the post-edge region of the XANES spectrum. Conversely, the weak but well-defined pre-edge peak at 4971.3 eV can be explained only by assuming that a fraction of Ti atoms are in a local geometry similar to that of the pentacoordinated Ti sites in the ETS-4 structure. These Ti atoms in ETS-10 should be the terminal of the -Ti-O-Ti-O-Ti- chains, of which the actual number is strongly increased by the high crystal defectivity (Ti vacancies).

Impacts of Deepwater Horizon Oil on Marsh Sediment Biogeochemistry in Barataria Bay, LA, USA

NASA Astrophysics Data System (ADS)

Mills, C. T.; Windham-Myers, L.; Waldrop, M. P.; Krabbenhoft, D. P.; Marvin-DiPasquale, M. C.; Orem, W. H.; Piazza, S.; Haw, M.; McFarland, J.; Varonka, M. S.

2012-12-01

Oil from the Deepwater Horizon spill came ashore on many salt marsh islands in Barataria Bay, LA in summer 2010, coating plants and settling on the sediment surface. In coordination with a plant community study of affected marshes, we investigated impacts of oiling on marsh sediment microbial biogeochemistry. Sediment samples (upmost 2 cm) were collected along transects perpendicular and parallel to the shore at three oiled and three non-oiled sites in both July and Oct. 2011. Samples from both collections were analyzed for sediment characteristics, total and methylmercury, and microbial membrane phospholipid fatty acids (PLFAs) which are a proxy for viable microbial cell numbers. Sediment DNA collected in Oct. 2011 was analyzed for bacterial, fungal, and archaeal community composition and abundance as well as various enzyme activities. Select Oct. 2011 samples were assayed to determine the rates of terminal electron accepting processes (oxygen demand, denitrification, iron reduction, sulfate reduction, methanogenesis). All sites had similar sediment characteristics. Impacts on sediment biogeochemistry were greatest at marsh edges, and reduced microbial abundance appeared to be more important than changes in microbial community structure. In July 2011, the mean PLFA concentration in oiled marsh edge sediments (0.15±0.03 μmol g-1; 95% CI; n=9) was substantially lower than for non-oiled sites (0.33±0.08 μmol g-1; n=9). Mean PLFA concentrations for interior marsh samples were more similar for oiled (0.30±0.08 μmol g-1; n=8) and non-oiled (0.37±0.04 μmol g-1; n=9) sites. This PLFA pattern was also observed in Oct. 2011 samples, and other measures of microbial abundance and activity showed similar trends. Cellulase, phosphatase, and chitinase mean activities were nearly twice as great in non-oiled versus oiled edge sites. Lower microbial activity in oiled sites was also inferred by somewhat lower denitrification and sulfate reduction potentials. Conversely, both methanogenesis rates and concentrations of methanogen DNA were somewhat greater in oiled edge samples, suggesting an effect of oiling on terminal electron accepting processes. The mean methylmercury concentration was lower in oiled versus non-oiled edge sites, likely as a result of decreased sulfate-reducer activity. The reduced microbial activity in near-edge sediments of the oiled marsh is likely an indirect effect of reduced plant productivity which supports rhizosphere communities. Both mean above- and below-ground live biomass at oiled edge sites were less than half that at non-oiled edge sites. Some marsh edge samples from the oiled site contained relatively large amounts of oil and we are currently quantifying oil-derived hydrocarbons to understand impacts of the oil itself on sediment biogeochemistry.

IET. Control room in control building (TAN620). Terminal panels for ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

IET. Control room in control building (TAN-620). Terminal panels for instrumentation wiring. Note alarm horn and emergency light at right edge of view. Cable reel comes from Collier, Pawtucket, RI. Date: February 1955. INEEL negative no. 55-362 - Idaho National Engineering Laboratory, Test Area North, Scoville, Butte County, ID

Role of spiral wave pinning in inhomogeneous active media in the termination of atrial fibrillation by electrical cardioversion.

PubMed

Kuklik, Pawel; Wong, Christopher X; Brooks, Anthony G; Zebrowski, Jan Jacek; Sanders, Prashanthan

2010-03-01

Atrial fibrillation is the most common type of arrhythmia to affect humans. One of the treatment modalities for atrial fibrillation is an electrical cardioversion. Electrical cardioversion can result in one of three outcomes: an immediate termination of arrhythmic activity, a delayed termination or unsuccessful termination. The mechanism of delayed termination is unknown. Here we present a model of an atrial fibrillation as a coexistence of several spiral waves pinned to the inhomogeneities in active media. We show that in inhomogeneous system delayed termination can be explained as the unpinning of a spiral wave from inhomogeneities and its termination after collision with the edge of the system. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

Structural and spectroscopic studies of a commercial glassy carbon

NASA Astrophysics Data System (ADS)

Parker, Stewart F.; Imberti, Silvia; Callear, Samantha K.; Albers, Peter W.

2013-12-01

Glassy carbon is a form of carbon made by heating a phenolic resin to high temperature in an inert atmosphere. It has been suggested that it is composed of fullerene-like structures. The aim of the present work was to characterize the material using both structural (neutron diffraction and transmission electron microscopy) and spectroscopic (inelastic neutron scattering, Raman and X-ray photoelectron spectroscopies) methods. We find no evidence to support the suggestion of fullerene-like material being present to a significant extent, rather the model that emerges from all of the techniques is that the material is very like amorphous carbon, consisting of regions of small graphite-like basic structural units of partly stacked but mismatched structure with the edges terminated by hydrogen or hydroxyls. We do find evidence for the presence of a small quantity of water trapped in the network and suggest that this may account for batch-to-batch variation in properties that may occur.

Revisiting the Al/Al₂O₃ interface: coherent interfaces and misfit accommodation.

PubMed

Pilania, Ghanshyam; Thijsse, Barend J; Hoagland, Richard G; Lazić, Ivan; Valone, Steven M; Liu, Xiang-Yang

2014-03-27

We study the coherent and semi-coherent Al/α-Al2O3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions at the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. Our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al2O3 composite heterostructures.

Transition from reconstruction toward thin film on the (110) surface of strontium titanate

DOE PAGES

Wang, Z.; Loon, A.; Subramanian, A.; ...

2016-03-08

The surfaces of metal oxides often are reconstructed with a geometry and composition that is considerably different from a simple termination of the bulk. Such structures can also be viewed as ultrathin films, epitaxed on a substrate. Here, the reconstructions of the SrTiO 3 (110) surface are studied combining scanning tunneling microscopy (STM), transmission electron diffraction, and X-ray absorption spectroscopy (XAS), and analyzed with density functional theory calculations. Whereas SrTiO 3 (110) invariably terminates with an overlayer of titania, with increasing density its structure switches from n × 1 to 2 × n. At the same time the coordination ofmore » the Ti atoms changes from a network of corner-sharing tetrahedra to a double layer of edge-shared octahedra with bridging units of octahedrally coordinated strontium. Furthermore, this transition from the n × 1 to 2 × n reconstructions is a transition from a pseudomorphically stabilized tetrahedral network toward an octahedral titania thin film with stress-relief from octahedral strontia units at the surface.« less

Surface complexation studied via combined grazing-incidence EXAFS and surface diffraction: Arsenate on hematite (0001) and (10-12)

USGS Publications Warehouse

Waychunas, G.; Trainor, T.; Eng, P.; Catalano, J.; Brown, G.; Davis, J.; Rogers, J.; Bargar, J.

2005-01-01

X-ray diffraction [crystal-truncation-rod (CTR)] studies of the surface structure of moisture-equilibrated hematite reveal sites for complexation not present on the bulk oxygen-terminated surface, and impose constraints on the types of inner-sphere sorption topologies. We have used this improved model of the hematite surface to analyze grazing-incidence EXAFS results for arsenate sorption on the c(0001) and r(10-12) surfaces measured in two electric vector polarizations. This work shows that the reconfiguration of the surface under moist conditions is responsible for an increased adsorption density of arsenate complexes on the (0001) surface relative to predicted ideal termination, and an abundance of "edge-sharing" bidentate complexes on both studied surfaces. We consider possible limitations on combining the methods due to differing surface sensitivities, and discuss further analysis possibilities using both methods. ?? Springer-Verlag 2005.

Atom-Dependent Edge-Enhanced Second-Harmonic Generation on MoS2 Monolayers.

PubMed

Lin, Kuang-I; Ho, Yen-Hung; Liu, Shu-Bai; Ciou, Jian-Jhih; Huang, Bo-Ting; Chen, Christopher; Chang, Han-Ching; Tu, Chien-Liang; Chen, Chang-Hsiao

2018-02-14

Edge morphology and lattice orientation of single-crystal molybdenum disulfide (MoS 2 ) monolayers, a transition metal dichalcogenide (TMD), possessing a triangular shape with different edges grown by chemical vapor deposition are characterized by atomic force microscopy and transmission electron microscopy. Multiphoton laser scanning microscopy is utilized to study one-dimensional atomic edges of MoS 2 monolayers with localized midgap electronic states, which result in greatly enhanced optical second-harmonic generation (SHG). Microscopic S-zigzag edge and S-Mo Klein edge (bare Mo atoms protruding from a S-zigzag edge) terminations and the edge-atom dependent resonance energies can therefore be deduced based on SHG images. Theoretical calculations based on density functional theory clearly explain the lower energy of the S-zigzag edge states compared to the corresponding S-Mo Klein edge states. Characterization of the atomic-scale variation of edge-enhanced SHG is a step forward in this full-optical and high-yield technique of atomic-layer TMDs.

Le 'continental terminal', sa place dans l'évolution géodynamique du bassin sénégalo-mauritanien durant le Cénozoïque

NASA Astrophysics Data System (ADS)

Conrad, Georges; Lappartient, Jean-René

The 'Continental Terminal' in the Senegalo-Mauritanian basin is a Cenozoic and detrital formation, presenting signs of an intense ferralitic alteration with formation of ferruginous concretions and crustings, neo-formation of kaolinite and significant silica movements. Sedimentary structures are generally obliterated by alteration in the formation's summit. However, some fossil layers which have undergone epigenesis by geothite make it possible to establish the sea origin of the eocene and miocene deposits in this 'Continental Terminal'. A better idea of Cenozoic transgressions and regressions can be achieved by a reconstitution of fossil river beds through alterations on the edge of the African continent. The new elements in the 'Continental Terminal' and the Senegalo-Mauritanian Cenozoic paleoclimates are: The 'Continental Terminal' clearly represents an alteration fringe developed at the expense of marine formations (Tessier et al. 1975 Actes 9ème Congr. Int. Sédim., Nice, pp. 207-211), but this concept cannot be generalized to all of the coastal Cenozoic or interior Iullemmeden Nigerian basins. The ferrallitic alterations mostly occurred in the Pliocene period after the sinking of the basin, as in the Miocene margino-littoral facies, and are still highly dominant. The ferruginous crusting can be seen in this period and also during the lower Pleistocene, because of the latitudinal migration of the basin northwards starting from the upper Cretaceous period.

Electronic inverter assembly

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Brij N.; Schmit, Christopher J.

A first driver portion comprises a set of first components mounted on or associated with a first circuit board. A second circuit board is spaced apart from the first circuit board. A second driver portion comprises a set of second components mounted on or associated with the second circuit board, where the first driver portion and the second driver portion collectively are adapted to provide input signals to the control terminal of each semiconductor switch of an inverter. A first edge connector is mounted on the first circuit board. A second edge connector is mounted on the second circuit board.more » An interface board has mating edges that mate with the first edge connector and the second edge connector.« less

A guide to the design of electronic properties of graphene nanoribbons.

PubMed

Yazyev, Oleg V

2013-10-15

Graphene nanoribbons (GNRs) are one-dimensional nanostructures predicted to display a rich variety of electronic behaviors. Depending on their structure, GNRs realize metallic and semiconducting electronic structures with band gaps that can be tuned across broad ranges. Certain GNRs also exhibit a peculiar gapped magnetic phase for which the half-metallic state can be induced as well as the topologically nontrivial quantum spin Hall electronic phase. Because their electronic properties are highly tunable, GNRs have quickly become a popular subject of research toward the design of graphene-based nanostructures for technological applications. This Account presents a pedagogical overview of the various degrees of freedom in the atomic structure and interactions that researchers can use to tailor the electronic structure of these materials. The Account provides a broad picture of relevant physical concepts that would facilitate the rational design of GNRs with desired electronic properties through synthetic techniques. We start by discussing a generic model of zigzag GNR within the tight-binding model framework. We then explain how different modifications and extensions of the basic model affect the electronic band structures of GNRs. We classify the modifications based on the following categories: (1) electron-electron and spin-orbit interactions, (2) GNR configuration, which includes width and the crystallographic orientation of the nanoribbon (chirality), and (3) the local structure of the edge. We subdivide this last category into two groups: the effects of the termination of the π-electron system and the variations of electrostatic potential at the edge. This overview of the structure-property relationships provides a view of the many different electronic properties that GNRs can realize. The second part of this Account reviews three recent experimental methods for the synthesis of structurally well-defined GNRs. We describe a family of techniques that use patterning and etching of graphene and graphite to produce GNRs. Chemical unzipping of carbon nanotubes also provides a route toward producing chiral GNRs with atomically smooth edges. Scanning tunneling microscopy/spectroscopy investigations of these unzipped GNRs have revealed edge states and strongly suggest that these GNRs are magnetic. The third approach exploits the surface-assisted self-assembly of GNRs from molecular precursors. This powerful method can provide full control over the atomic structure of narrow nanoribbons and could eventually produce more complex graphene nanostructures.

Effects of self-assembled monolayer structural order, surface homogeneity and surface energy on pentacene morphology and thin film transistor device performance.

PubMed

Hutchins, Daniel Orrin; Weidner, Tobias; Baio, Joe; Polishak, Brent; Acton, Orb; Cernetic, Nathan; Ma, Hong; Jen, Alex K-Y

2013-01-04

A systematic study of six phosphonic acid (PA) self-assembled monolayers (SAMs) with tailored molecular structures is performed to evaluate their effectiveness as dielectric modifying layers in organic field-effect transistors (OFETs) and determine the relationship between SAM structural order, surface homogeneity, and surface energy in dictating device performance. SAM structures and surface properties are examined by near edge X-ray absorption fine structure (NEXAFS) spectroscopy, contact angle goniometry, and atomic force microscopy (AFM). Top-contact pentacene OFET devices are fabricated on SAM modified Si with a thermally grown oxide layer as a dielectric. For less ordered methyl- and phenyl-terminated alkyl ~(CH 2 ) 12 PA SAMs of varying surface energies, pentacene OFETs show high charge carrier mobilities up to 4.1 cm 2 V -1 s -1 . It is hypothesized that for these SAMs, mitigation of molecular scale roughness and subsequent control of surface homogeneity allow for large pentacene grain growth leading to high performance pentacene OFET devices. PA SAMs that contain bulky terminal groups or are highly crystalline in nature do not allow for a homogenous surface at a molecular level and result in charge carrier mobilities of 1.3 cm 2 V -1 s -1 or less. For all molecules used in this study, no causal relationship between SAM surface energy and charge carrier mobility in pentacene FET devices is observed.

Effects of self-assembled monolayer structural order, surface homogeneity and surface energy on pentacene morphology and thin film transistor device performance

PubMed Central

Hutchins, Daniel Orrin; Weidner, Tobias; Baio, Joe; Polishak, Brent; Acton, Orb; Cernetic, Nathan; Ma, Hong; Jen, Alex K.-Y.

2013-01-01

A systematic study of six phosphonic acid (PA) self-assembled monolayers (SAMs) with tailored molecular structures is performed to evaluate their effectiveness as dielectric modifying layers in organic field-effect transistors (OFETs) and determine the relationship between SAM structural order, surface homogeneity, and surface energy in dictating device performance. SAM structures and surface properties are examined by near edge X-ray absorption fine structure (NEXAFS) spectroscopy, contact angle goniometry, and atomic force microscopy (AFM). Top-contact pentacene OFET devices are fabricated on SAM modified Si with a thermally grown oxide layer as a dielectric. For less ordered methyl- and phenyl-terminated alkyl ~(CH2)12 PA SAMs of varying surface energies, pentacene OFETs show high charge carrier mobilities up to 4.1 cm2 V−1 s−1. It is hypothesized that for these SAMs, mitigation of molecular scale roughness and subsequent control of surface homogeneity allow for large pentacene grain growth leading to high performance pentacene OFET devices. PA SAMs that contain bulky terminal groups or are highly crystalline in nature do not allow for a homogenous surface at a molecular level and result in charge carrier mobilities of 1.3 cm2 V−1 s−1 or less. For all molecules used in this study, no causal relationship between SAM surface energy and charge carrier mobility in pentacene FET devices is observed. PMID:24086795

The Role of Connectivity on Electronic Properties of Lead Iodide Perovskite-Derived Compounds

PubMed Central

2017-01-01

We use a layered solution crystal growth method to synthesize high-quality single crystals of two different benzylammonium lead iodide perovskite-like organic/inorganic hybrids. The well-known (C6H5CH2NH3)2PbI4 phase is obtained in the form of bright orange platelets, with a structure comprised of single ⟨100⟩-terminated sheets of corner-sharing PbI6 octahedra separated by bilayers of the organic cations. The presence of water during synthesis leads to formation of a novel minority phase that crystallizes in the form of nearly transparent, light yellow bar-shaped crystals. This phase adopts the monoclinic space group P21/n and incorporates water molecules, with structural formula (C6H5CH2NH3)4Pb5I14·2H2O. The crystal structure consists of ribbons of edge-sharing PbI6 octahedra separated by the organic cations. Density functional theory calculations including spin–orbit coupling show that these edge-sharing PbI6 octahedra cause the band gap to increase with respect to corner-sharing PbI6 octahedra in (C6H5CH2NH3)2PbI4. To gain systematic insight, we model the effect of the connectivity of PbI6 octahedra on the band gap in idealized lead iodide perovskite-derived compounds. We find that increasing the connectivity from corner-, via edge-, to face-sharing causes a significant increase in the band gap. This provides a new mechanism to tailor the optical properties in organic/inorganic hybrid compounds. PMID:28677956

Tuning electronic properties in graphene quantum dots by chemical functionalization: Density functional theory calculations

NASA Astrophysics Data System (ADS)

Abdelsalam, Hazem; Elhaes, Hanan; Ibrahim, Medhat A.

2018-03-01

The energy gap and dipole moment of chemically functionalized graphene quantum dots are investigated by density functional theory. The energy gap can be tuned through edge passivation by different elements or groups. Edge passivation by oxygen considerably decreases the energy gap in hexagonal nanodots. Edge states in triangular quantum dots can also be manipulated by passivation with fluorine. The dipole moment depends on: (a) shape and edge termination of the quantum dot, (b) attached group, and (c) position to which the groups are attached. Depending on the position of attached groups, the total dipole can be increased, decreased, or eliminated.

Sensory Organ Like Response of Zigzag Edge Graphene Nanoribbons

NASA Astrophysics Data System (ADS)

Shenoy, Vijay; Bhowmick, Somnath

2011-03-01

Using a continuum Dirac theory, we study the density and spin response of zigzag edge terminated graphene ribbons subjected to edge potentials and Zeeman fields. Our analytical calculations of the density and spin responses of the closed system (fixed particle number) to the static edge fields, show a highly nonlinear Weber-Fechner type behavior where the response depends logarithmically on the edge potential. The dependence of the response on the size of the system (e.g.~width of a nanoribbon) is also uncovered. Zigzag edge graphene nanoribbons, therefore, provide a realization of response of organs such as the eye and ear that obey Weber-Fechner law. We validate our analytical results with tight binding calculations. These results are crucial in understanding important effects of electron-electron interactions in graphene nanoribbons such as edge magnetism etc., and also suggest possibilities for device applications of graphene nanoribbons. Work supported by DST, India through MONAMI and Ramanujan grants.

Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism.

PubMed

Lu, Defen; Shang, Guijun; Zhang, Heqiao; Yu, Qian; Cong, Xiaoyan; Yuan, Jupeng; He, Fengjuan; Zhu, Chunyuan; Zhao, Yanyu; Yin, Kun; Chen, Yuanyuan; Hu, Junqiang; Zhang, Xiaodan; Yuan, Zenglin; Xu, Sujuan; Hu, Wei; Cang, Huaixing; Gu, Lichuan

2014-06-01

The opportunistic pathogen Pseudomonas aeruginosa uses the type VI secretion system (T6SS) to deliver the muramidase Tse3 into the periplasm of rival bacteria to degrade their peptidoglycan (PG). Concomitantly, P. aeruginosa uses the periplasm-localized immunity protein Tsi3 to prevent potential self-intoxication caused by Tse3, and thus gains an edge over rival bacteria in fierce niche competition. Here, we report the crystal structures of Tse3 and the Tse3-Tsi3 complex. Tse3 contains an annexin repeat-like fold at the N-terminus and a G-type lysozyme fold at the C-terminus. One loop in the N-terminal domain (Loop 12) and one helix (α9) from the C-terminal domain together anchor Tse3 and the Tse3-Tsi3 complex to membrane in a calcium-dependent manner in vitro, and this membrane-binding ability is essential for Tse3's activity. In the C-terminal domain, a Y-shaped groove present on the surface likely serves as the PG binding site. Two calcium-binding motifs are also observed in the groove and these are necessary for Tse3 activity. In the Tse3-Tsi3 structure, three loops of Tsi3 insert into the substrate-binding groove of Tse3, and three calcium ions present at the interface of the complex are indispensable for the formation of the Tse3-Tsi3 complex. © 2014 John Wiley & Sons Ltd.

New main reflector, subreflector and dual chamber concepts for compact range applications

NASA Technical Reports Server (NTRS)

Pistorius, C. W. I.; Burnside, W. D.

1987-01-01

A compact range is a facility used for the measurement of antenna radiation and target scattering problems. Most presently available parabolic reflectors do not produce ideal uniform plane waves in the target zone. Design improvements are suggested to reduce the amplitude taper, ripple and cross polarization errors. The ripple caused by diffractions from the reflector edges can be reduced by adding blended rolled edges and shaping the edge contour. Since the reflected edge continues smoothly from the parabola onto the rolled surface, rather than being abruptly terminated, the discontinuity in the reflected field is reduced which results in weaker diffracted fields. This is done by blending the rolled edges from the parabola into an ellipse. An algorithm which enables one to design optimum blended rolled edges was developed that is based on an analysis of the continuity of the surface radius of curvature and its derivatives across the junction. Futhermore, a concave edge contour results in a divergent diffracted ray pattern and hence less stray energy in the target zone. Design equations for three-dimensional reflectors are given. Various examples were analyzed using a new physical optics method which eliminates the effects of the false scattering centers on the incident shadow boundaries. A Gregorian subreflector system, in which both the subreflector and feed axes are tilted, results in a substantial reduction in the amplitude taper and cross polarization errors. A dual chamber configuration is proposed to eliminate the effects of diffraction from the subreflector and spillover from the feed. A computationally efficient technique, based on ray tracing and aperture integration, was developed to analyze the scattering from a lossy dielectric slab with a wedge termination.

Negative differential resistance and rectification effects in zigzag graphene nanoribbon heterojunctions: Induced by edge oxidation and symmetry concept

NASA Astrophysics Data System (ADS)

Nazirfakhr, Maryam; Shahhoseini, Ali

2018-03-01

By applying non-equilibrium Green's functions (NEGF) in combination with tight-binding (TB) model, we investigate and compare the electronic transport properties of H-terminated zigzag graphene nanoribbon (H/ZGNR) and O-terminated ZGNR/H-terminated ZGNR (O/ZGNR-H/ZGNR) heterostructure under finite bias. Moreover, the effect of width and symmetry on the electronic transport properties of both models is also considered. The results reveal that asymmetric H/ZGNRs have linear I-V characteristics in whole bias range, but symmetric H-ZGNRs show negative differential resistance (NDR) behavior which is inversely proportional to the width of the H/ZGNR. It is also shown that the I-V characteristic of O/ZGNR-H/ZGNR heterostructure shows a rectification effect, whether the geometrical structure is symmetric or asymmetric. The fewer the number of zigzag chains, the bigger the rectification ratio. It should be mentioned that, the rectification ratios of symmetric heterostructures are much bigger than asymmetric one. Transmission spectrum, density of states (DOS), molecular projected self-consistent Hamiltonian (MPSH) and molecular eigenstates are analyzed subsequently to understand the electronic transport properties of these ZGNR devices. Our findings could be used in developing nanoscale rectifiers and NDR devices.

Revisiting the Al/Al 2O 3 Interface: Coherent Interfaces and Misfit Accommodation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.

We report the coherent and semi-coherent Al/α-Al 2O 3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions atmore » the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. In conclusion, our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al 2O 3 composite heterostructures.« less

Revisiting the Al/Al 2O 3 Interface: Coherent Interfaces and Misfit Accommodation

DOE PAGES

Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.; ...

2014-03-27

We report the coherent and semi-coherent Al/α-Al 2O 3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions atmore » the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. In conclusion, our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al 2O 3 composite heterostructures.« less

Diameter-Constrained Steiner Tree

NASA Astrophysics Data System (ADS)

Ding, Wei; Lin, Guohui; Xue, Guoliang

Given an edge-weighted undirected graph G = (V,E,c,w), where each edge e ∈ E has a cost c(e) and a weight w(e), a set S ⊆ V of terminals and a positive constant D 0, we seek a minimum cost Steiner tree where all terminals appear as leaves and its diameter is bounded by D 0. Note that the diameter of a tree represents the maximum weight of path connecting two different leaves in the tree. Such problem is called the minimum cost diameter-constrained Steiner tree problem. This problem is NP-hard even when the topology of Steiner tree is fixed. In present paper we focus on this restricted version and present a fully polynomial time approximation scheme (FPTAS) for computing a minimum cost diameter-constrained Steiner tree under a fixed topology.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rechkoblit, Olga; Delaney, James C.; Essigmann, John M.

DNA is susceptible to alkylation damage by a number of environmental agents that modify the Watson-Crick edge of the bases. Such lesions, if not repaired, may be bypassed by Y-family DNA polymerases. The bypass polymerase Dpo4 is strongly inhibited by 1-methylguanine (m1G) and 3-methylcytosine (m3C), with nucleotide incorporation opposite these lesions being predominantly mutagenic. Further, extension after insertion of both correct and incorrect bases, introduces additional base substitution and deletion errors. Crystal structures of the Dpo4 ternary extension complexes with correct and mismatched 3'-terminal primer bases opposite the lesions reveal that both m1G and m3C remain positioned within the DNAmore » template/primer helix. However, both correct and incorrect pairing partners exhibit pronounced primer terminal nucleotide distortion, being primarily evicted from the DNA helix when opposite m1G or misaligned when pairing with m3C. Our studies provide insights into mechanisms related to hindered and mutagenic bypass of methylated lesions and models associated with damage recognition by repair demethylases.« less

The Ehrlich-Schwoebel barrier on an oxide surface: a combined Monte-Carlo and in situ scanning tunneling microscopy approach.

PubMed

Gianfrancesco, Anthony G; Tselev, Alexander; Baddorf, Arthur P; Kalinin, Sergei V; Vasudevan, Rama K

2015-11-13

The controlled growth of epitaxial films of complex oxides requires an atomistic understanding of key parameters determining final film morphology, such as termination dependence on adatom diffusion, and height of the Ehrlich-Schwoebel (ES) barrier. Here, through an in situ scanning tunneling microscopy study of mixed-terminated La5/8Ca3/8MnO3 (LCMO) films, we image adatoms and observe pile-up at island edges. Image analysis allows determination of the population of adatoms at the edge of islands and fractions on A-site and B-site terminations. A simple Monte-Carlo model, simulating the random walk of adatoms on a sinusoidal potential landscape using Boltzmann statistics is used to reproduce the experimental data, and provides an estimate of the ES barrier as ∼0.18 ± 0.04 eV at T = 1023 K, similar to those of metal adatoms on metallic surfaces. These studies highlight the utility of in situ imaging, in combination with basic Monte-Carlo methods, in elucidating the factors which control the final film growth in complex oxides.

The Ehrlich-Schwoebel barrier on an oxide surface: a combined Monte-Carlo and in situ scanning tunneling microscopy approach

NASA Astrophysics Data System (ADS)

Gianfrancesco, Anthony G.; Tselev, Alexander; Baddorf, Arthur P.; Kalinin, Sergei V.; Vasudevan, Rama K.

2015-11-01

The controlled growth of epitaxial films of complex oxides requires an atomistic understanding of key parameters determining final film morphology, such as termination dependence on adatom diffusion, and height of the Ehrlich-Schwoebel (ES) barrier. Here, through an in situ scanning tunneling microscopy study of mixed-terminated La5/8Ca3/8MnO3 (LCMO) films, we image adatoms and observe pile-up at island edges. Image analysis allows determination of the population of adatoms at the edge of islands and fractions on A-site and B-site terminations. A simple Monte-Carlo model, simulating the random walk of adatoms on a sinusoidal potential landscape using Boltzmann statistics is used to reproduce the experimental data, and provides an estimate of the ES barrier as ˜0.18 ± 0.04 eV at T = 1023 K, similar to those of metal adatoms on metallic surfaces. These studies highlight the utility of in situ imaging, in combination with basic Monte-Carlo methods, in elucidating the factors which control the final film growth in complex oxides.

Proving Program Termination With Matrix Weighted Digraphs

NASA Technical Reports Server (NTRS)

Dutle, Aaron

2015-01-01

Program termination analysis is an important task in logic and computer science. While determining if a program terminates is known to be undecidable in general, there has been a significant amount of attention given to finding sufficient and computationally practical conditions to prove termination. One such method takes a program and builds from it a matrix weighted digraph. These are directed graphs whose edges are labeled by square matrices with entries in {-1,0,1}, equipped with a nonstandard matrix multiplication. Certain properties of this digraph are known to imply the termination of the related program. In particular, termination of the program can be determined from the weights of the circuits in the digraph. In this talk, the motivation for addressing termination and how matrix weighted digraphs arise will be briefly discussed. The remainder of the talk will describe an efficient method for bounding the weights of a finite set of the circuits in a matrix weighted digraph, which allows termination of the related program to be deduced.

Edge-functionalization of armchair graphene nanoribbons with pentagonal-hexagonal edge structures.

PubMed

Ryou, Junga; Park, Jinwoo; Kim, Gunn; Hong, Suklyun

2017-06-21

Using density functional theory calculations, we have studied the edge-functionalization of armchair graphene nanoribbons (AGNRs) with pentagonal-hexagonal edge structures. While the AGNRs with pentagonal-hexagonal edge structures (labeled (5,6)-AGNRs) are metallic, the edge-functionalized (5,6)-AGNRs with substitutional atoms opens a band gap. We find that the band structures of edge-functionalized (5,6)-N-AGNRs by substitution resemble those of defect-free (N-1)-AGNR at the Γ point, whereas those at the X point show the original ones of the defect-free N-AGNR. The overall electronic structures of edge-functionalized (5,6)-AGNRs depend on the number of electrons, supplied by substitutional atoms, at the edges of functionalized (5,6)-AGNRs.

Syntactic Approach To Geometric Surface Shell Determination

NASA Astrophysics Data System (ADS)

DeGryse, Donald G.; Panton, Dale J.

1980-12-01

Autonomous terminal homing of a smart missile requires a stored reference scene of the target for which the missle is destined. The reference scene is produced from stereo source imagery by deriving a three-dimensional model containing cultural structures such as buildings, towers, bridges, and tanks. This model is obtained by the precise matching of cultural features from one image of the stereo pair to the other. In the past, this stereo matching process has relied heavily on local edge operators and a gray scale matching metric. The processing is performed line by line over the imagery and the amount of geometric control is minimal. As a result, the gross structure of the scene is determined but the derived three-dimensional data is noisy, oscillatory, and at times significantly inaccurate. This paper discusses new concepts that are currently being developed to stabilize this geometric reference preparation process. The new concepts involve the use of a structural syntax which will be used as a geometric constraint on automatic stereo matching. The syntax arises from the stereo configuration of the imaging platforms at the time of exposure and the knowledge of how various cultural structures are constructed. The syntax is used to parse a scene in terms of its cultural surfaces and to dictate to the matching process the allowable relative positions and orientations of surface edges in the image planes. Using the syntax, extensive searches using a gray scale matching metric are reduced.

Full-field Strain Methods for Investigating Failure Mechanisms in Triaxial Braided Composites

NASA Technical Reports Server (NTRS)

Littell, Justin D.; Binienda, Wieslaw K.; Goldberg, Robert K.; Roberts, Gary D.

2008-01-01

Composite materials made with triaxial braid architecture and large tow size carbon fibers are beginning to be used in many applications, including composite aircraft and engine structures. Recent advancements in braiding technology have led to commercially viable manufacturing approaches for making large structures with complex shape. Although the large unit cell size of these materials is an advantage for manufacturing efficiency, the fiber architecture presents some challenges for materials characterization, design, and analysis. In some cases, the static load capability of structures made using these materials has been higher than expected based on material strength properties measured using standard coupon tests. A potential problem with using standard tests methods for these materials is that the unit cell size can be an unacceptably large fraction of the specimen dimensions. More detailed investigation of deformation and failure processes in large unit cell size triaxial braid composites is needed to evaluate the applicability of standard test methods for these materials and to develop alternative testing approaches. In recent years, commercial equipment has become available that enables digital image correlation to be used on a more routine basis for investigation of full field 3D deformation in materials and structures. In this paper, some new techniques that have been developed to investigate local deformation and failure using digital image correlation techniques are presented. The methods were used to measure both local and global strains during standard straight-sided coupon tensile tests on composite materials made with 12 and 24 k yarns and a 0/+60/-60 triaxial braid architecture. Local deformation and failure within fiber bundles was observed, and this local failure had a significant effect on global stiffness and strength. The matrix material had a large effect on local damage initiation for the two matrix materials used in this investigation. Premature failure in regions of the unit cell near the edge of the straight-sided specimens was observed for transverse tensile tests in which the braid axial fibers were perpendicular to the specimen axis and the bias fibers terminated on the cut edges in the specimen gage section. This edge effect is one factor that could contribute to a measured strength that is lower than the actual material strength in a structure without edge effects.

Insights from soft X-rays: the chlorine and sulfur sub-structures of a CK2alpha/DRB complex.

PubMed

Raaf, Jennifer; Issinger, Olaf-Georg; Niefind, Karsten

2008-09-01

The diffraction pattern of a protein crystal is normally a product of the interference of electromagnetic waves scattered by electrons of the crystalline sample. The diffraction pattern undergoes systematic changes in case additionally X-ray absorption occurs, meaning if the wavelength of the primary X-ray beam is relatively close to the absorption edge of selected elements of the sample. The resulting effects are summarized as "anomalous dispersion" and can be always observed with "soft" X-rays (wavelength around 2 A) since they match the absorption edges of sulfur and chlorine. A particularly useful application of this phenomenon is the experimental detection of the sub-structures of the anomalous scatterers in protein crystals. We demonstrate this here with a crystal of a C-terminally truncated variant of human CK2alpha to which two molecules of the inhibitor 5,6-dichloro-1-beta-D-ribo-furanosyl-benzimidazole (DRB) are bound. The structure of this co-crystal has been solved recently. For this study we measured an additional diffraction data set at a wavelength of 2 A which showed strong anomalous dispersion effects. On the basis of these effects we detected all sulfur atoms of the protein, the two liganded DRB molecules and a total of 16 additional chloride ions some of them emerging at positions filled with water molecules in previous structure determinations. A number of chloride ions are bound to structural and functional important locations fitting to the constitutive activity and the acidophilic substrate specificity of the enzyme.

Novel Implementations of Wideband Tightly Coupled Dipole Arrays for Wide-Angle Scanning

NASA Astrophysics Data System (ADS)

Yetisir, Ersin

Ultra-wideband (UWB) antennas and arrays are essential for high data rate communications and for addressing spectrum congestion. Tightly coupled dipole arrays (TCDAs) are of particular interest due to their low-profile, bandwidth and scanning range. But existing UWB (>3:1 bandwidth) arrays still suffer from limited scanning, particularly at angles beyond 45° from broadside. Almost all previous wideband TCDAs have employed dielectric layers above the antenna aperture to improve scanning while maintaining impedance bandwidth. But even so, these UWB arrays have been limited to no more than 60° away from broadside. In this work, we propose to replace the dielectric superstrate with frequency selective surfaces (FSS). In effect, the FSS is used to create an effective dielectric layer placed over the antenna array. FSS also enables anisotropic responses and more design freedom than conventional isotropic dielectric substrates. Another important aspect of the FSS is its ease of fabrication and low weight, both critical for mobile platforms (e.g. unmanned air vehicles), especially at lower microwave frequencies. Specifically, it can be fabricated using standard printed circuit technology and integrated on a single board with active radiating elements and feed lines. In addition to the FSS superstrate, a modified version of the stripline-based folded Marchand balun is presented. As usual the balun serves to match the 50Ω coaxial cable to the high input impedance ( 200Ω) at the terminals of array elements. Doing so, earlier Wilkinson power dividers, which degrade efficiency during E-plane scanning, are eliminated. To verify the proposed array concept, 12x12 TCDA prototype was fabricated using the modified balun and the new FSS superstrate layer. The design and experimental data showed an impedance bandwidth of 6.1:1 with VSWR<3.2. The latter VSWR was achieved even when scanning down to +/-60° in the H-plane, +/-70° in the D-plane and +/-75° in the E-plane. All array components, including the FSS, radiating dipoles and the feed lines are placed on the same PCB, vertically oriented over the array ground plane, resulting in a low-cost and light-weight structure. The effects of finite aperture sizes in presence of FSS or dielectric superstrates are also considered. Specifically, we compare the performance of finite TCDAs with FSS or dielectric loading. The performance metric is beam pointing accuracy for moderate array sizes ( 30dBi gain) with various edge element terminations. It is shown that even terminating two unit cells at the array edges can provide effective suppression of edge-born waves and achieve excellent beam accuracy. This is the case when both the FSS elements and radiating dipoles are resistively loaded in the unit-cells along the aperture edges.

Gait alterations can reduce the risk of edge loading.

PubMed

Wesseling, Mariska; Meyer, Christophe; De Groote, Friedl; Corten, Kristoff; Simon, Jean-Pierre; Desloovere, Kaat; Jonkers, Ilse

2016-06-01

Following metal-on-metal hip arthroplasty, edge loading (i.e., loading near the edge of a prosthesis cup) can increase wear and lead to early revision. The position and coverage angle of the prosthesis cup influence the risk of edge loading. This study investigates the effect of altered gait patterns, more specific hip, and pelvis kinematics, on the orientation of hip contact force and the consequent risk of antero-superior edge loading using muscle driven simulations of gait. With a cup orientation of 25° anteversion and 50° inclination and a coverage angle of 168°, many gait patterns presented risk of edge loading. Specifically at terminal double support, 189 out of 405 gait patterns indicated a risk of edge loading. At this time instant, the high hip contact forces and the proximity of the hip contact force to the edge of the cup indicated the likelihood of the occurrence of edge loading. Although the cup position contributed most to edge loading, altering kinematics considerably influenced the risk of edge loading. Increased hip abduction, resulting in decreasing hip contact force magnitude, and decreased hip extension, resulting in decreased risk on edge loading, are gait strategies that could prevent edge loading. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 34:1069-1076, 2016. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Use of edge-based finite elements for solving three dimensional scattering problems

NASA Technical Reports Server (NTRS)

Chatterjee, A.; Jin, J. M.; Volakis, John L.

1991-01-01

Edge based finite elements are free from drawbacks associated with node based vectorial finite elements and are, therefore, ideal for solving 3-D scattering problems. The finite element discretization using edge elements is checked by solving for the resonant frequencies of a closed inhomogeneously filled metallic cavity. Great improvements in accuracy are observed when compared to the classical node based approach with no penalty in terms of computational time and with the expected absence of spurious modes. A performance comparison between the edge based tetrahedra and rectangular brick elements is carried out and tetrahedral elements are found to be more accurate than rectangular bricks for a given storage intensity. A detailed formulation for the scattering problem with various approaches for terminating the finite element mesh is also presented.

Effects of Edge Directions on the Structural Controllability of Complex Networks

PubMed Central

Xiao, Yandong; Lao, Songyang; Hou, Lvlin; Small, Michael; Bai, Liang

2015-01-01

Recent advances indicate that assigning or reversing edge direction can significantly improve the structural controllability of complex networks. For directed networks, approaching the optimal structural controllability can be achieved by detecting and reversing certain “inappropriate” edge directions. However, the existence of multiple sets of “inappropriate” edge directions suggests that different edges have different effects on optimal controllability—that is, different combinations of edges can be reversed to achieve the same structural controllability. Therefore, we classify edges into three categories based on their direction: critical, redundant and intermittent. We then investigate the effects of changing these edge directions on network controllability, and demonstrate that the existence of more critical edge directions implies not only a lower cost of modifying inappropriate edges but also better controllability. Motivated by this finding, we present a simple edge orientation method aimed at producing more critical edge directions—utilizing only local information—which achieves near optimal controllability. Furthermore, we explore the effects of edge direction on the controllability of several real networks. PMID:26281042

Effects of Edge Directions on the Structural Controllability of Complex Networks.

PubMed

Xiao, Yandong; Lao, Songyang; Hou, Lvlin; Small, Michael; Bai, Liang

2015-01-01

Recent advances indicate that assigning or reversing edge direction can significantly improve the structural controllability of complex networks. For directed networks, approaching the optimal structural controllability can be achieved by detecting and reversing certain "inappropriate" edge directions. However, the existence of multiple sets of "inappropriate" edge directions suggests that different edges have different effects on optimal controllability-that is, different combinations of edges can be reversed to achieve the same structural controllability. Therefore, we classify edges into three categories based on their direction: critical, redundant and intermittent. We then investigate the effects of changing these edge directions on network controllability, and demonstrate that the existence of more critical edge directions implies not only a lower cost of modifying inappropriate edges but also better controllability. Motivated by this finding, we present a simple edge orientation method aimed at producing more critical edge directions-utilizing only local information-which achieves near optimal controllability. Furthermore, we explore the effects of edge direction on the controllability of several real networks.

Li-Ion Localization and Energetics as a Function of Anode Structure.

PubMed

McNutt, Nicholas W; McDonnell, Marshall; Rios, Orlando; Keffer, David J

2017-03-01

In this work, we study the effect of carbon composite anode structure on the localization and energetics of Li-ions. A computational molecular dynamics study is combined with experimental results from neutron scattering experiments to understand the effect of composite density, crystallite size, volume fraction of crystalline carbon, and ion loading on the nature of ion storage in novel, lignin-derived composite materials. In a recent work, we demonstrated that these carbon composites display a fundamentally different mechanism for Li-ion storage than traditional graphitic anodes. The edges of the crystalline and amorphous fragments of aromatic carbon that exist in these composites are terminated by hydrogen atoms, which play a crucial role in adsorption. In this work, we demonstrate how differences in composite structure due to changes in the processing conditions alter the type and extent of the interface between the amorphous and crystalline domains, thus impacting the nature of Li-ion storage. The effects of structural properties are evaluated using a suite of pair distribution functions as well as an original technique to extract archetypal structures, in the form of three-dimensional atomic density distributions, from highly disordered systems. The energetics of Li-ion binding are understood by relating changes in the energy and charge distributions to changes in structural properties. The distribution of Li-ion energies reveals that some structures lead to greater chemisorption, while others have greater physisorption. Carbon composites with a high volume fraction of small crystallites demonstrate the highest ion storage capacity because of the high interfacial area between the crystalline and amorphous domains. At these interfaces, stable H atoms, terminating the graphitic crystallites, provide favorable sites for reversible Li adsorption.

Elastically Deformable Side-Edge Link for Trailing-Edge Flap Aeroacoustic Noise Reduction

NASA Technical Reports Server (NTRS)

Khorrami, Mehdi R. (Inventor); Lockard, David P. (Inventor); Moore, James B. (Inventor); Su, Ji (Inventor); Turner, Travis L. (Inventor); Lin, John C. (Inventor); Taminger, Karen M. (Inventor); Kahng, Seun K. (Inventor); Verden, Scott A. (Inventor)

2014-01-01

A system is provided for reducing aeroacoustic noise generated by an aircraft having wings equipped with trailing-edge flaps. The system includes a plurality of elastically deformable structures. Each structure is coupled to and along one of the side edges of one of the trailing-edge flaps, and is coupled to a portion of one of the wings that is adjacent to the one of the side edges. The structures elastically deform when the trailing-edge flaps are deployed away from the wings.

A WASp–VASP complex regulates actin polymerization at the plasma membrane

PubMed Central

Castellano, Flavia; Le Clainche, Christophe; Patin, Delphine; Carlier, Marie-France; Chavrier, Philippe

2001-01-01

Proteins of the Wiskott–Aldrich syndrome and Ena/VASP families both play essential functions in the regulation of actin dynamics at the cell leading edge. However, possibilities of functional interplay between members of these two families have not been addressed. Here we show that, in hemopoietic cells, recruitment of the C-terminal VCA (Verprolin homology, Cofilin homology, Acidic) domain of WASp at the plasma membrane by a ligand technique using rapamycin as an intermediate is not sufficient to elicit efficient Arp2/3 complex-mediated actin polymerization. Other domains of WASp, in particular the proline-rich domain, are required for the formation of actin-rich structures. An in vitro analysis demonstrates that the proline-rich domain of WASp binds VASP with an affinity of ∼106 M–1. In addition, WASp and VASP both accumulate in actin-rich phagocytic cups. Finally, in a reconstituted motility medium, VASP enhances actin-based propulsion of WASp-coated beads in a fashion reminiscent of its effect on Listeria movement. We propose that VASP and WASp cooperation is essential in stimulating actin assembly and membrane protrusion at the leading edge. PMID:11598004

3D local structure around copper site of rabbit prion-related protein: Quantitative determination by XANES spectroscopy combined with multiple-scattering calculations

NASA Astrophysics Data System (ADS)

Cui, P. X.; Lian, F. L.; Wang, Y.; Wen, Yi; Chu, W. S.; Zhao, H. F.; Zhang, S.; Li, J.; Lin, D. H.; Wu, Z. Y.

2014-02-01

Prion-related protein (PrP), a cell-surface copper-binding glycoprotein, is considered to be responsible for a number of transmissible spongiform encephalopathies (TSEs). The structural conversion of PrP from the normal cellular isoform (PrPC) to the post-translationally modified form (PrPSc) is thought to be relevant to Cu2+ binding to histidine residues. Rabbits are one of the few mammalian species that appear to be resistant to TSEs, because of the structural characteristics of the rabbit prion protein (RaPrPC) itself. Here we determined the three-dimensional local structure around the C-terminal high-affinity copper-binding sites using X-ray absorption near-edge structure combined with ab initio calculations in the framework of the multiple-scattering (MS) theory. Result shows that two amino acid resides, Gln97 and Met108, and two histidine residues, His95 and His110, are involved in binding this copper(II) ion. It might help us understand the roles of copper in prion conformation conversions, and the molecular mechanisms of prion-involved diseases.

Structural and Dynamical Properties of 2:1 Phyllosilicates Edges and Nanoparticles

NASA Astrophysics Data System (ADS)

Newton, A. G.; Sposito, G.

2012-12-01

Classical mechanics simulations of bulk 2:1 phyllosilicate minerals provide atomic scale perspectives of the macroscopic sorption and diffusion phenomena in interlayer nanopores. An equivalent perspective of these interfacial phenomena in macropores bounded by the edges of stacked phyllosilicate particles is not possible due to the absence of a forcefield for the edges of phyllosilicate minerals. A valid forcefield to describe the phyllosilicate edge is essential to link the quantum and continuum mechanical models. The inherently disordered edge of 2:1 phyllosilicate minerals and rarity of well-crystallized samples further complicates the task of validating a forcefield for the phyllosilicate edge. Periodic bond chain theory identifies three tetrahedral-octahedral-tetrahedral (TOT) structures that parallel the edge faces of pseudohexagonal phyllosilicate particles. These TOT structures are the basis of atomistic models of the dominant edge interface and nanoparticles. The CLAYFF forcefield describes all pairwise atomic interactions with only minimal partial charge adjustments to maintain model neutrality, where necessary. Atomistic simulations in the isobaric-isothermal ensemble at nanosecond timescales predict equilibrium edge structures and dynamical properties of the aqueous interface. The CLAYFF forcefield and the limited adjustments to parameters predict edge and particle structures that are consistent with the results of ab initio MD simulations, support macroscopic observations of phyllosilicate reactivity, and provide legitimacy for disordered models of 2:1 phyllosilicates. The heterogeneous edge structures can be explained by the chemistry of the octahedral cation and surface charge anisotropy. In the plane of the octahedral sheet, the cations of the octahedral layer can assume four-, five-, and six-coordinate polyhedral geometries at the edge interface. These disordered edge structures create alternate alignments in the tetrahedral sheet. The structural and dynamical properties of the phyllosilicate edge interface differ from those of the 2:1 phyllosilicate basal surface. The non-planar surface structure and abundant oxygen atoms and hydroxyl groups at the edge order the water layers such that a steep gradient in the water self-diffusion coefficient exists near the surface. Isolated phyllosilicate nanoparticles maintain the original crystal habit; disordered edge structures emerge upon stacking of the particles. These simulations validate CLAYFF as a general forcefield for 2:1 phyllosilicate edges and nanoparticles and demonstrate a powerful method for future investigations of geologic media at the mesoscale.

Structural Confirmation of a Bent and Open Model for the Initiation Complex of T7 RNA Polymerase

PubMed Central

Turingan, Rosemary S.; Liu, Cuihua; Hawkins, Mary E.; Martin, Craig T.

2008-01-01

T7 RNA polymerase is known to induce bending of its promoter DNA upon binding, as evidenced by gel-shift assays and by recent end-to-end fluorescence energy transfer distance measurements. Crystal structures of promoter-bound and initially transcribing complexes, however, lack downstream DNA, providing no information on the overall path of the DNA through the protein. Crystal structures of the elongation complex do include downstream DNA and provide valuable guidance in the design of models for the complete melted bubble structure at initiation. In the current study, we test a specific structural model for the initiation complex, obtained by alignment of the C-terminal regions of the protein structures from both initiation and elongation and then simple transferal of the downstream DNA from the elongation complex onto the initiation complex. FRET measurement of distances from a point upstream on the promoter DNA to various points along the downstream helix reproduce the expected helical periodicity in the distances and support the model’s orientation and phasing of the downstream DNA. The model also makes predictions about the extent of melting downstream of the active site. By monitoring fluorescent base analogs incorporated at various positions in the DNA we have mapped the downstream edge of the bubble, confirming the model. The initially melted bubble, in the absence of substrate, encompasses 7–8 bases and is sufficient to allow synthesis of a 3 base transcript before further melting is required. The results demonstrate that despite massive changes in the N-terminal portion of the protein and in the DNA upstream of the active site, the DNA downstream of the active site is virtually identical in both initiation and elongation complexes. PMID:17253774

Intercalating cobalt between graphene and iridium (111): Spatially dependent kinetics from the edges

NASA Astrophysics Data System (ADS)

Vlaic, Sergio; Rougemaille, Nicolas; Kimouche, Amina; Burgos, Benito Santos; Locatelli, Andrea; Coraux, Johann

2017-10-01

Using low-energy electron microscopy, we image in real time the intercalation of a cobalt monolayer between graphene and the (111) surface of iridium. Our measurements reveal that the edges of a graphene flake represent an energy barrier to intercalation. Based on a simple description of the growth kinetics, we estimate this energy barrier and find small, but substantial, local variations. These local variations suggest a possible influence of the graphene orientation with respect to its substrate and of the graphene edge termination on the energy value of the barrier height. Besides, our measurements show that intercalated cobalt is energetically more favorable than cobalt on bare iridium, indicating a surfactant role of graphene.

The structure of FMNL2-Cdc42 yields insights into the mechanism of lamellipodia and filopodia formation

NASA Astrophysics Data System (ADS)

Kühn, Sonja; Erdmann, Constanze; Kage, Frieda; Block, Jennifer; Schwenkmezger, Lisa; Steffen, Anika; Rottner, Klemens; Geyer, Matthias

2015-05-01

Formins are actin polymerization factors that elongate unbranched actin filaments at the barbed end. Rho family GTPases activate Diaphanous-related formins through the relief of an autoregulatory interaction. The crystal structures of the N-terminal domains of human FMNL1 and FMNL2 in complex with active Cdc42 show that Cdc42 mediates contacts with all five armadillo repeats of the formin with specific interactions formed by the Rho-GTPase insert helix. Mutation of three residues within Rac1 results in a gain-of-function mutation for FMNL2 binding and reconstitution of the Cdc42 phenotype in vivo. Dimerization of FMNL1 through a parallel coiled coil segment leads to formation of an umbrella-shaped structure that--together with Cdc42--spans more than 15 nm in diameter. The two interacting FMNL-Cdc42 heterodimers expose six membrane interaction motifs on a convex protein surface, the assembly of which may facilitate actin filament elongation at the leading edge of lamellipodia and filopodia.

Graph modeling systems and methods

DOEpatents

Neergaard, Mike

2015-10-13

An apparatus and a method for vulnerability and reliability modeling are provided. The method generally includes constructing a graph model of a physical network using a computer, the graph model including a plurality of terminating vertices to represent nodes in the physical network, a plurality of edges to represent transmission paths in the physical network, and a non-terminating vertex to represent a non-nodal vulnerability along a transmission path in the physical network. The method additionally includes evaluating the vulnerability and reliability of the physical network using the constructed graph model, wherein the vulnerability and reliability evaluation includes a determination of whether each terminating and non-terminating vertex represents a critical point of failure. The method can be utilized to evaluate wide variety of networks, including power grid infrastructures, communication network topologies, and fluid distribution systems.

Tuning transport properties of graphene three-terminal structures by mechanical deformation

NASA Astrophysics Data System (ADS)

Torres, V.; Faria, D.; Latgé, A.

2018-04-01

Straintronic devices made of carbon-based materials have been pushed up due to the graphene high mechanical flexibility and the possibility of interesting changes in transport properties. Properly designed strained systems have been proposed to allow optimized transport responses that can be explored in experimental realizations. In multiterminal systems, comparisons between schemes with different geometries are important to characterize the modifications introduced by mechanical deformations, especially if the deformations are localized at a central part of the system or extended in a large region. Then, in the present analysis, we study the strain effects on the transport properties of triangular and hexagonal graphene flakes, with zigzag and armchair edges, connected to three electronic terminals, formed by semi-infinite graphene nanoribbons. Using the Green's function formalism with circular renormalization schemes, and a single band tight-binding approximation, we find that resonant tunneling transport becomes relevant and is more affected by localized deformations in the hexagonal graphene flakes. Moreover, triangular systems with deformation extended to the leads, like longitudinal three-folded type, are shown as an interesting scenario for building nanoscale waveguides for electronic current.

Bifurcations of edge states—topologically protected and non-protected—in continuous 2D honeycomb structures

NASA Astrophysics Data System (ADS)

Fefferman, C. L.; Lee-Thorp, J. P.; Weinstein, M. I.

2016-03-01

Edge states are time-harmonic solutions to energy-conserving wave equations, which are propagating parallel to a line-defect or ‘edge’ and are localized transverse to it. This paper summarizes and extends the authors’ work on the bifurcation of topologically protected edge states in continuous two-dimensional (2D) honeycomb structures. We consider a family of Schrödinger Hamiltonians consisting of a bulk honeycomb potential and a perturbing edge potential. The edge potential interpolates between two different periodic structures via a domain wall. We begin by reviewing our recent bifurcation theory of edge states for continuous 2D honeycomb structures (http://arxiv.org/abs/1506.06111). The topologically protected edge state bifurcation is seeded by the zero-energy eigenstate of a one-dimensional Dirac operator. We contrast these protected bifurcations with (more common) non-protected bifurcations from spectral band edges, which are induced by bound states of an effective Schrödinger operator. Numerical simulations for honeycomb structures of varying contrasts and ‘rational edges’ (zigzag, armchair and others), support the following scenario: (a) for low contrast, under a sign condition on a distinguished Fourier coefficient of the bulk honeycomb potential, there exist topologically protected edge states localized transverse to zigzag edges. Otherwise, and for general edges, we expect long lived edge quasi-modes which slowly leak energy into the bulk. (b) For an arbitrary rational edge, there is a threshold in the medium-contrast (depending on the choice of edge) above which there exist topologically protected edge states. In the special case of the armchair edge, there are two families of protected edge states; for each parallel quasimomentum (the quantum number associated with translation invariance) there are edge states which propagate in opposite directions along the armchair edge.

Magneto-electronic properties of graphene nanoribbons with various edge structures passivated by phosphorus and hydrogen atoms.

PubMed

Yu, Z L; Wang, D; Zhu, Z; Zhang, Z H

2015-10-07

The electronic and magnetic structures of graphene nanoribbons (GNRs) with various edge structures passivated by P atoms are investigated systematically, and compared with H passivation as well. GNRs with the entire reconstructed Klein edge or armchair edge are found to be nonmagnetic regardless of P or H passivation. However, if the edge of GNRs is a mixture of zigzag edge and reconstructed Klein edge, they are nonmagnetic for H passivation but significantly magnetic for P passivation, which could be attributed to the "charge transfer doping" effect. And the corresponding magnetic device shows a noticeable negative differential resistance phenomenon and an excellent spin filtering effect under AP configuration, which originate from the special energy band structure. The GNRs with zigzag edge, reconstructed Klein edge, or mixed edge shapes are all metals in the nonmagnetic state regardless of the H or P atoms involved. The relationship between the energy gap and the width in armchair-edged GNRs by P passivation with a dimer structure also satisfies the 3p periodicity, but different in detail from the case of H passivation. The calculated edge formation energy indicates that P-passivated GNRs are energetically more favorable, suggesting that they can stably exist in the experiment.

Combined NMR and EPR Spectroscopy to Determine Structures of Viral Fusion Domains in Membranes

PubMed Central

Tamm, Lukas K.; Lai, Alex L.; Li, Yinling

2008-01-01

Methods are described to determine the structures of viral membrane fusion domains in detergent micelles by NMR and in lipid bilayers by site-directed spin labeling and EPR spectroscopy. Since in favorable cases, the lower-resolution spin label data obtained in lipid bilayers fully support the higher-resolution structures obtained by solution NMR, it is possible to graft the NMR structural coordinates into membranes using the EPR-derived distance restraints to the lipid bilayer. Electron paramagnetic dynamics and distance measurements in bilayers support conclusions drawn from NMR in detergent micelles. When these methods are applied to a structure determination of the influenza virus fusion domain and four point mutations with different functional phenotypes, it is evident that a fixed-angle boomerang structure with a glycine edge on the outside of the N-terminal arm is both necessary and sufficient to support membrane fusion. The human immunodeficiency virus fusion domain forms a straight helix with a flexible C-terminus. While EPR data for this fusion domain are not yet available, it is tentatively speculated that, because of its higher hydrophobicity, a critically tilted insertion may occur even in the absence of a kinked boomerang structure in this case. PMID:17963720

Trisodium citrate, Na 3 (C 6 H 5 O 7 )

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rammohan, Alagappa; Kaduk, James A.

2016-05-10

The crystal structure of anhydrous trisodium citrate, Na 3(C 6H 5O 7), has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory (DFT). There are two independent five-coordinate Na +and one six-coordinate Na +cations in the asymmetric unit. The [NaO 5] and [NaO 6] polyhedra share edges and corners to form a three-dimensional framework. There are channels parallel to theaandbaxes in which the remainder of the citrate anions reside. The only hydrogen bonds are an intramolecular one between the hydroxy group and one of the terminal carboxylate O atoms and an intermolecular onemore » between a methylene group and the hydroxyl O atom.« less

General view of a Space Shuttle Main Engine (SSME) mounted ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

General view of a Space Shuttle Main Engine (SSME) mounted on an SSME engine handler, taken in the SSME Processing Facility at Kennedy Space Center. The most prominent feature in this view is the Expansion Nozzle . The rings that loop around the nozzle, vertically in this view, add structural stability to the nozzle walls and are referred to Hatbands. The ring on the left most edge of the nozzle is the Coolant Inlet Manifold. The tubes that branch off and connect to the manifold are Coolant Transfer Ducts and the tubes that terminate with a visible opening at the manifold are Drain Lines. - Space Transportation System, Space Shuttle Main Engine, Lyndon B. Johnson Space Center, 2101 NASA Parkway, Houston, Harris County, TX

Closeup view of a Space Shuttle Main Engine (SSME) mounted ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Close-up view of a Space Shuttle Main Engine (SSME) mounted on an SSME engine handler, taken in the SSME Processing Facility at Kennedy Space Center. The most prominent feature in this view is the Expansion Nozzle . The rings that loop around the nozzle, vertically in this view, add structural stability to the nozzle walls and are referred to Hatbands. The ring on the left most edge of the nozzle is the Coolant Inlet Manifold. The tubes that branch off and connect to the manifold are Coolant Transfer Ducts and the tubes that terminate with a visible opening at the manifold are Drain Lines. - Space Transportation System, Space Shuttle Main Engine, Lyndon B. Johnson Space Center, 2101 NASA Parkway, Houston, Harris County, TX

Strain-Dependent Edge Structures in MoS2 Layers.

PubMed

Tinoco, Miguel; Maduro, Luigi; Masaki, Mukai; Okunishi, Eiji; Conesa-Boj, Sonia

2017-11-08

Edge structures are low-dimensional defects unavoidable in layered materials of the transition metal dichalcogenides (TMD) family. Among the various types of such structures, the armchair (AC) and zigzag (ZZ) edge types are the most common. It has been predicted that the presence of intrinsic strain localized along these edges structures can have direct implications for the customization of their electronic properties. However, pinning down the relation between local structure and electronic properties at these edges is challenging. Here, we quantify the local strain field that arises at the edges of MoS 2 flakes by combining aberration-corrected transmission electron microscopy (TEM) with the geometrical-phase analysis (GPA) method. We also provide further insight on the possible effects of such edge strain on the resulting electronic behavior by means of electron energy loss spectroscopy (EELS) measurements. Our results reveal that the two-dominant edge structures, ZZ and AC, induce the formation of different amounts of localized strain fields. We also show that by varying the free edge curvature from concave to convex, compressive strain turns into tensile strain. These results pave the way toward the customization of edge structures in MoS 2 , which can be used to engineer the properties of layered materials and thus contribute to the optimization of the next generation of atomic-scale electronic devices built upon them.

Determination of graphene's edge energy using hexagonal graphene quantum dots and PM7 method.

PubMed

Vorontsov, Alexander V; Tretyakov, Evgeny V

2018-05-18

Graphene quantum dots (GQDs) are important for a variety of applications and designs, and the shapes of GQDs rely on the energy of their boundaries. Presently, many methods have been developed for the preparation of GQDs with the required boundaries, shapes and edge terminations. However, research on the properties of GQDs and their applications is limited due to the unavailability of these compounds in pure form. In the present computational study, the standard enthalpy of formation, the standard enthalpy of formation of edges and the standard enthalpy of hydrogenation are studied for hexagonal GQDs with purely zigzag and armchair edges in non-passivated and H-passivated forms using the semiempirical quantum chemistry method pm7. The standard enthalpy of formation of the edge is found to remain constant for GQDs studied in the range of 1 to 6 nm, and the enthalpies of edge C atoms are 32.4 and 35.5 kcal mol-1 for armchair and zigzag edges, respectively. In contrast to some literature data, the standard enthalpy of formation of hydrogenated edges is far from zero, and the values are 7.3 and 8.0 kcal mol-1 C for armchair and zigzag edges, respectively. The standard enthalpy of hydrogenation is found to be -10.2 and -9.72 eV nm-1 for the armchair and zigzag edges, respectively.

Ablation of multi-wavelet re-entry: general principles and in silico analyses.

PubMed

Spector, Peter S; Correa de Sa, Daniel D; Tischler, Ethan S; Thompson, Nathaniel C; Habel, Nicole; Stinnett-Donnelly, Justin; Benson, Bryce E; Bielau, Philipp; Bates, Jason H T

2012-11-01

Catheter ablation strategies for treatment of cardiac arrhythmias are quite successful when targeting spatially constrained substrates. Complex, dynamic, and spatially varying substrates, however, pose a significant challenge for ablation, which delivers spatially fixed lesions. We describe tissue excitation using concepts of surface topology which provides a framework for addressing this challenge. The aim of this study was to test the efficacy of mechanism-based ablation strategies in the setting of complex dynamic substrates. We used a computational model of propagation through electrically excitable tissue to test the effects of ablation on excitation patterns of progressively greater complexity, from fixed rotors to multi-wavelet re-entry. Our results indicate that (i) focal ablation at a spiral-wave core does not result in termination; (ii) termination requires linear lesions from the tissue edge to the spiral-wave core; (iii) meandering spiral-waves terminate upon collision with a boundary (linear lesion or tissue edge); (iv) the probability of terminating multi-wavelet re-entry is proportional to the ratio of total boundary length to tissue area; (v) the efficacy of linear lesions varies directly with the regional density of spiral-waves. We establish a theoretical framework for re-entrant arrhythmias that explains the requirements for their successful treatment. We demonstrate the inadequacy of focal ablation for spatially fixed spiral-waves. Mechanistically guided principles for ablating multi-wavelet re-entry are provided. The potential to capitalize upon regional heterogeneity of spiral-wave density for improved ablation efficacy is described.

Quenching of the Quantum Hall Effect in Graphene with Scrolled Edges

NASA Astrophysics Data System (ADS)

Cresti, Alessandro; Fogler, Michael M.; Guinea, Francisco; Castro Neto, A. H.; Roche, Stephan

2012-04-01

Edge nanoscrolls are shown to strongly influence transport properties of suspended graphene in the quantum Hall regime. The relatively long arclength of the scrolls in combination with their compact transverse size results in formation of many nonchiral transport channels in the scrolls. They short circuit the bulk current paths and inhibit the observation of the quantized two-terminal resistance. Unlike competing theoretical proposals, this mechanism of disrupting the Hall quantization in suspended graphene is not caused by ill-chosen placement of the contacts, singular elastic strains, or a small sample size.

Curvature of blended rolled edge reflectors at the shadow boundary contour

NASA Technical Reports Server (NTRS)

Ellingson, S. W.

1988-01-01

A technique is advanced for computing the radius of curvature of blended rolled edge reflector surfaces at the shadow boundary, in the plane perpendicular to the shadow boundary contour. This curvature must be known in order to compute the spurious endpoint contributions in the physical optics (PO) solution for the scattering from reflectors with rolled edges. The technique is applicable to reflectors with radially-defined rim-shapes and rolled edge terminations. The radius of curvature for several basic reflector systems is computed, and it is shown that this curvature can vary greatly along the shadow boundary contour. Finally, the total PO field in the target zone of a sample compact range system is computed and corrected using the shadow boundary radius of curvature, obtained using the technique. It is shown that the fields obtained are a better approximation to the true scattered fields.

Dimeric [Mo₂S₁₂]²⁻ Cluster: A Molecular Analogue of MoS₂ Edges for Superior Hydrogen-Evolution Electrocatalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Zhongjie; Luo, Wenjia; Ma, Lu

2015-12-07

Proton reduction is one of the most fundamental and important reactions in nature. MoS2 edges have been identified as the active sites for hydrogen evolution reaction (HER) electrocatalysis. Designing molecular mimics of MoS2 edge sites is an attractive strategy to understand the underlying catalytic mechanism of different edge sites and improve their activities. Herein we report a dimeric molecular analogue [Mo₂S₁₂]²⁻, as the smallest unit possessing both the terminal and bridging disulfide ligands. Our electrochemical tests show that [Mo₂S₁₂]²⁻ is a superior heterogeneous HER catalyst under acidic conditions. Computations suggest that the bridging disulfide ligand of [Mo₂S₁₂]²⁻ exhibits a hydrogenmore » adsorption free energy near zero (-0.05eV). This work helps shed light on the rational design of HER catalysts and biomimetics of hydrogen-evolving enzymes.« less

Origin of a needle-like granular structure for ultrananocrystalline diamond films grown in a N2/CH4 plasma

NASA Astrophysics Data System (ADS)

Sankaran, K. J.; Kurian, J.; Chen, H. C.; Dong, C. L.; Y Lee, C.; Tai, N. H.; Lin, I. N.

2012-09-01

Microstructural evolution as a function of substrate temperature (TS) for conducting ultrananocrystalline diamond (UNCD) films is systematically studied. Variation of the sp2 graphitic and sp3 diamond content with TS in the films is analysed from the Raman and near-edge x-ray absorption fine structure spectra. Morphological and microstructural studies confirm that at TS = 700 °C well-defined acicular structures evolve. These nanowire structures comprise sp3 phased diamond, encased in a sheath of sp2 bonded graphitic phase. TS causes a change in morphology and thereby the various properties of the films. For TS = 800 °C the acicular grain growth ceases, while that for TS = 700 °C ceases only upon termination of the deposition process. The grain-growth process for the unique needle-like granular structure is proposed such that the CN species invariably occupy the tip of the nanowire, promoting an anisotropic grain-growth process and the formation of acicular structure of the grains. The electron field emission studies substantiate that the films grown at TS = 700 °C are the most conducting, with conduction mediated through the graphitic phase present in the films.

Layer-selective synthesis of bilayer graphene via chemical vapor deposition

NASA Astrophysics Data System (ADS)

Yang, Ning; Choi, Kyoungjun; Robertson, John; Park, Hyung Gyu

2017-09-01

A controlled synthesis of high-quality AB-stacked bilayer graphene by chemical vapor deposition demands a detailed understanding of the mechanism and kinetics. By decoupling the growth of the two layers via a growth-and-regrowth scheme, we report the kinetics and termination mechanisms of the bilayer graphene growth on copper. We observe, for the first time, that the secondary layer growth follows Gompertzian kinetics. Our observations affirm the postulate of a time-variant transition from a mass-transport-limited to a reaction-limited regimes and identify the mechanistic disparity between the monolayer growth and the secondary-layer expansion underneath the monolayer cover. It is the continuous carbon supply that drives the expansion of the graphene secondary layer, rather than the initially captured carbon amount, suggesting an essential role of the surface diffusion of reactant adsorbates in the interspace between the top graphene layer and the underneath copper surface. We anticipate that the layer selectivity of the growth relies on the entrance energetics of the adsorbed reactants to the graphene-copper interspace across the primary-layer edge, which could be engineered by tailoring the edge termination state. The temperature-reliant saturation area of the secondary-layer expansion is understood as a result of competitive attachment of carbon and hydrogen adatoms to the secondary-layer graphene edge.

Photocatalytic CO2 reduction over SrTiO3: Correlation between surface structure and activity

NASA Astrophysics Data System (ADS)

Luo, Chao; Zhao, Jie; Li, Yingxuan; Zhao, Wen; Zeng, Yubin; Wang, Chuanyi

2018-07-01

Perovskite oxide SrTiO3 is a promising semiconductor photocatalyst for CO2 reduction, which has two possible chemical surfaces-TiO2-terminated and SrO-terminated surfaces. Up to now, the effect of chemical surface and its modification on CO2 adsorption, activation and sequential photocatalytic reduction is not established. In the work, SrTiO3, surface-Ti-rich SrTiO3 and Sr(OH)2-decorated SrTiO3 were prepared and their structural, surface, and optical properties and photocatalytic activity were explored. It is found that the absorption edge of surface-Ti-rich SrTiO3 shifted toward visible-light region as compared with that of the other two photocatalysts, which is attributed to the decreased Ti 3d ground-state level at the surface. Bicarbonate- (HCO3-) and bidentate carbonate-like (b-CO3=) species are the main species for CO2 adsorption on the surface-Ti-rich SrTiO3, whereas, besides HCO3- and b-CO3=, plenty of monodentate carbonate-like species (m-CO3=) that has relatively low reactivity is present on the SrTiO3 and Sr(OH)2-decorated photocatalysts. As a result, the surface-Ti-rich SrTiO3 exhibits the highest activity for CO2 reduction. Furthermore, although Sr(OH)2-decoration and SrO-terminated surfaces facilitate CO2 fixing, the produced surface species are attached to the weakly active Sr ions, giving rise to the lower reactivity. The present work might supply a guide for designing highly active perovskite-type semiconductors for photocatalysis.

Electronic properties of graphene nano-flakes: energy gap, permanent dipole, termination effect, and Raman spectroscopy.

PubMed

Singh, Sandeep Kumar; Neek-Amal, M; Peeters, F M

2014-02-21

The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C(N(c)) X(N(x)) (X = F or H). We studied GNFs with 10 < Nc < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Δ between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with Nc, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy.

A Possible Role for End-Stopped V1 Neurons in the Perception of Motion: A Computational Model

PubMed Central

Zarei Eskikand, Parvin; Kameneva, Tatiana; Ibbotson, Michael R.; Burkitt, Anthony N.; Grayden, David B.

2016-01-01

We present a model of the early stages of processing in the visual cortex, in particular V1 and MT, to investigate the potential role of end-stopped V1 neurons in solving the aperture problem. A hierarchical network is used in which the incoming motion signals provided by complex V1 neurons and end-stopped V1 neurons proceed to MT neurons at the next stage. MT neurons are categorized into two types based on their function: integration and segmentation. The role of integration neurons is to propagate unambiguous motion signals arriving from those V1 neurons that emphasize object terminators (e.g. corners). Segmentation neurons detect the discontinuities in the input stimulus to control the activity of integration neurons. Although the activity of the complex V1 neurons at the terminators of the object accurately represents the direction of the motion, their level of activity is less than the activity of the neurons along the edges. Therefore, a model incorporating end-stopped neurons is essential to suppress ambiguous motion signals along the edges of the stimulus. It is shown that the unambiguous motion signals at terminators propagate over the rest of the object to achieve an accurate representation of motion. PMID:27741307

Simulation studies of structure and edge tension of lipid bilayer edges: effects of tail structure and force-field.

PubMed

West, Ana; Ma, Kevin; Chung, Jonathan L; Kindt, James T

2013-08-15

Molecular dynamics simulations of lipid bilayer ribbons have been performed to investigate the structures and line tensions associated with free bilayer edges. Simulations carried out for dioleoyl phosphatidylcholine with three different force-field parameter sets yielded edge line tensions of 45 ± 2 pN, over 50% greater than the most recently reported experimentally determined value for this lipid. Edge tensions obtained from simulations of a series of phosphatidylcholine lipid bilayer ribbons with saturated acyl tails of length 12-16 carbons and with monounsaturated acyl tails of length 14-18 carbons could be correlated with the excess area associated with forming the edge, through a two-parameter fit. Saturated-tail lipids underwent local thickening near the edge, producing denser packing that correlated with lower line tensions, while unsaturated-tail lipids showed little or no local thickening. In a dipalmitoyl phosphatidylcholine ribbon initiated in a tilted gel-phase structure, lipid headgroups tended to tilt toward the nearer edge producing a herringbone pattern, an accommodation that may account for the reported edge-induced stabilization of an ordered structure at temperatures near a lipid gel-fluid phase transition.

75 FR 13340 - Notice of Passenger Facility Charge (PFC) Approvals and Disapprovals

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-19

...--design and construction. Terminal facility improvements--design and construction. Runway pavement overlay... Collection at CHS and Use at CHS: Upgrade police radio communications. Design flight/baggage information... expansion--design. Standardize airfield signage. Restripe airfield taxiway and ramp edge. Improve airport...

Contemporary Film and the Representative Anecdote of "Unmasking": Coping Strategies for a Narcissistic Society.

ERIC Educational Resources Information Center

Scodari, Christine

1987-01-01

Examines contemporary films--including "The Terminator,""Witness,""Jagged Edge," and "The Big Chill,"--and discusses their metaphoric anecdotes of "unmasking," the inverse of the process of becoming narcissistic. Asserts that "unmasking" films provide coping strategies for an audience…

Numerical analysis of the reverse blocking enhancement in High-K passivation AlGaN/GaN Schottky barrier diodes with gated edge termination

NASA Astrophysics Data System (ADS)

Bai, Zhiyuan; Du, Jiangfeng; Xin, Qi; Li, Ruonan; Yu, Qi

2018-02-01

We conducted a numerical analysis on high-K dielectric passivated AlGaN/GaN Schottky barrier diodes (HPG-SBDs) with a gated edge termination (GET). The reverse blocking characteristics were significantly enhanced without the stimulation of any parasitic effect by varying the dielectric thickness dge under the GET, thickness TP, and dielectric constant εr of the high-K passivation layer. The leakage current was reduced by increasing εr and decreasing dge. The breakdown voltage of the device was enhanced by increasing εr and TP. The highest breakdown voltage of 970 V and the lowest leakage current of 0.5 nA/mm were achieved under the conditions of εr = 80, TP = 800 nm, and dge = 10 nm. C-V simulation revealed that the HPG-SBDs induced no parasitic capacitance by comparing the integrated charges of the devices with different high-K dielectrics and different dge.

Universal properties of materials with the Dirac dispersion relation of low-energy excitations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Protogenov, A. P., E-mail: alprot@appl.sci-nnov.ru; Chulkov, E. V.

2015-12-15

The N-terminal scheme is considered for studying the contribution of edge states to the response of a two-dimensional topological insulator. A universal distribution of the nonlocal resistance between terminals is determined in the ballistic transport approach. The calculated responses are identical to experimentally observed values. The spectral properties of surface electronic states in Weyl semimetals are also studied. The density of surface states is accurately determined. The universal behavior of these characteristics is a distinctive feature of the considered Dirac materials which can be used in practical applications.

Basement inheritance and salt tectonics in the SE Barents Sea: Insights from new potential field data

NASA Astrophysics Data System (ADS)

Gernigon, L.; Broenner, M.; Dumais, M. A.; Gradmann, S.; Grønlie, A.; Nasuti, A.; Roberts, D.

2017-12-01

The tectonic evolution of the former `grey zone' between Russia and Norway has so far remained poorly constrained due to a lack of geophysical data. In 2014, we carried out a new aeromagnetic survey (BASAR-14) in the southern part of the new Norwegian offshore territory. Caledonian and Timanian structures, highlighted by the new potential field data, dominate the basement patterns and have exerted a strong influence on the structure and development of the overlying basins and basement highs. Clearly associated with NW-SE-oriented Timanian trends, the Tiddlybanken Basin represents an atypical sag basin that developed at the southern edge of the Fedynsky High. Regional extension and rapid sedimentation initiated the salt tectonics in the Barents Sea in the Early Triassic. Some of the pillows became diapiric during the Early Triassic and rejuvenated during subsequent Jurassic-Tertiary episodes of regional extension and/or compression. At present, quite a few large diapiric salt domes along the Nordkapp and Tiddlybanken basins are relatively shallow, locally reaching the seabed and thus show a clear bathymetric and magnetic signature. Quantitative modelling along 2D seismic transects was also carried out to constrain the structural and basement composition of the study area. The predominant NE-SW Mesozoic trend of the Nordkapp Basin represents a major crustal hinge zone between the Finnmark Platform, poorly affected by major crustal deformation, and the Bjarmeland Platform where Late Palaeozoic rifting controlled the widespread accumulation of salt deposits in Late Carboniferous-Early Permian time. The entire structure and segmentation of the Nordkapp Basin have been influenced by the inherited basement configuration highlighted by the new aeromagnetic data. Both the Nordkapp and the Tiddlybanken basins appear to lie at the edge of a peculiar thick and rigid crustal feature that coincides with a highly magnetic region. The abrupt termination of the eastern Nordkapp Basin at the edge of this magnetic domain suggests the presence of an old and thick Precambrian continental block. This magnetic and tectonic buffer controlled the Late Palaeozoic-Mesozoic rifting and the salt tectonic development of the southeastern Barents Sea.

Discriminating the Drivers of Edge Effects on Nest Predation: Forest Edges Reduce Capture Rates of Ship Rats (Rattus rattus), a Globally Invasive Nest Predator, by Altering Vegetation Structure

PubMed Central

Ruffell, Jay; Didham, Raphael K.; Barrett, Paul; Gorman, Nic; Pike, Rhonda; Hickey-Elliott, Andrée; Sievwright, Karin; Armstrong, Doug P.

2014-01-01

Forest edges can strongly affect avian nest success by altering nest predation rates, but this relationship is inconsistent and context dependent. There is a need for researchers to improve the predictability of edge effects on nest predation rates by examining the mechanisms driving their occurrence and variability. In this study, we examined how the capture rates of ship rats, an invasive nest predator responsible for avian declines globally, varied with distance from the forest edge within forest fragments in a pastoral landscape in New Zealand. We hypothesised that forest edges would affect capture rates by altering vegetation structure within fragments, and that the strength of edge effects would depend on whether fragments were grazed by livestock. We measured vegetation structure and rat capture rates at 488 locations ranging from 0–212 m from the forest edge in 15 forest fragments, seven of which were grazed. Contrary to the vast majority of previous studies of edge effects on nest predation, ship rat capture rates increased with increasing distance from the forest edge. For grazed fragments, capture rates were estimated to be 78% lower at the forest edge than 118 m into the forest interior (the farthest distance for grazed fragments). This relationship was similar for ungrazed fragments, with capture rates estimated to be 51% lower at the forest edge than 118 m into the forest interior. A subsequent path analysis suggested that these ‘reverse’ edge effects were largely or entirely mediated by changes in vegetation structure, implying that edge effects on ship rats can be predicted from the response of vegetation structure to forest edges. We suggest the occurrence, strength, and direction of edge effects on nest predation rates may depend on edge-driven changes in local habitat when the dominant predator is primarily restricted to forest patches. PMID:25412340

Discriminating the drivers of edge effects on nest predation: forest edges reduce capture rates of ship rats (Rattus rattus), a globally invasive nest predator, by altering vegetation structure.

PubMed

Ruffell, Jay; Didham, Raphael K; Barrett, Paul; Gorman, Nic; Pike, Rhonda; Hickey-Elliott, Andrée; Sievwright, Karin; Armstrong, Doug P

2014-01-01

Forest edges can strongly affect avian nest success by altering nest predation rates, but this relationship is inconsistent and context dependent. There is a need for researchers to improve the predictability of edge effects on nest predation rates by examining the mechanisms driving their occurrence and variability. In this study, we examined how the capture rates of ship rats, an invasive nest predator responsible for avian declines globally, varied with distance from the forest edge within forest fragments in a pastoral landscape in New Zealand. We hypothesised that forest edges would affect capture rates by altering vegetation structure within fragments, and that the strength of edge effects would depend on whether fragments were grazed by livestock. We measured vegetation structure and rat capture rates at 488 locations ranging from 0-212 m from the forest edge in 15 forest fragments, seven of which were grazed. Contrary to the vast majority of previous studies of edge effects on nest predation, ship rat capture rates increased with increasing distance from the forest edge. For grazed fragments, capture rates were estimated to be 78% lower at the forest edge than 118 m into the forest interior (the farthest distance for grazed fragments). This relationship was similar for ungrazed fragments, with capture rates estimated to be 51% lower at the forest edge than 118 m into the forest interior. A subsequent path analysis suggested that these 'reverse' edge effects were largely or entirely mediated by changes in vegetation structure, implying that edge effects on ship rats can be predicted from the response of vegetation structure to forest edges. We suggest the occurrence, strength, and direction of edge effects on nest predation rates may depend on edge-driven changes in local habitat when the dominant predator is primarily restricted to forest patches.

Structure and tectonics of the northwestern United States from EarthScope USArray magnetotelluric data

USGS Publications Warehouse

Bedrosian, Paul A.; Feucht, Daniel W.

2014-01-01

The magnetotelluric component of the EarthScope USArray program has covered over 35% of the continental United States. Resistivity tomography models derived from these data image lithospheric structure and provide constraints on the distribution of fluids and melt within the lithosphere. We present a three-dimensional resistivity model of the northwestern United States which provides new insight into the tectonic assembly of western North America from the Archean to present. Comparison with seismic tomography models reveals regions of correlated and anti-correlated resistivity and velocity that help identify thermal and compositional variations within the lithosphere. Recent (Neogene) tectonic features reflected in the model include the subducting Juan de Fuca–Gorda plate which can be traced beneath the forearc to more than 100 km depth, high lithospheric conductivity along the Snake River Plain, and pronounced lower-crustal and upper-mantle conductivity beneath the Basin and Range. The latter is abruptly terminated to the northwest by the Klamath–Blue Mountains Lineament, which we interpret as an important structure during and since the Mesozoic assembly of the region. This boundary is interpreted to separate hot extended lithosphere from colder, less extended lithosphere. The western edge of Proterozoic North America, as indicated by the Cretaceous initial 87Sr/86Sr = 0.706 contour, is clearly reflected in the resistivity model. We further image an Archean crustal block (“Pend Oreille block”) straddling the Washington/Idaho border, which we speculate separated from the Archean Medicine Hat block in the Proterozoic. Finally, in the modern Cascades forearc, the geometry and internal structure of the Eocene Siletz terrane is reflected in the resistivity model. The apparent eastern edge of the Siletz terrane under the Cascades arc suggests that pre-Tertiary rocks fill the Washington and Oregon back-arc.

An edge-directed interpolation method for fetal spine MR images.

PubMed

Yu, Shaode; Zhang, Rui; Wu, Shibin; Hu, Jiani; Xie, Yaoqin

2013-10-10

Fetal spinal magnetic resonance imaging (MRI) is a prenatal routine for proper assessment of fetus development, especially when suspected spinal malformations occur while ultrasound fails to provide details. Limited by hardware, fetal spine MR images suffer from its low resolution.High-resolution MR images can directly enhance readability and improve diagnosis accuracy. Image interpolation for higher resolution is required in clinical situations, while many methods fail to preserve edge structures. Edge carries heavy structural messages of objects in visual scenes for doctors to detect suspicions, classify malformations and make correct diagnosis. Effective interpolation with well-preserved edge structures is still challenging. In this paper, we propose an edge-directed interpolation (EDI) method and apply it on a group of fetal spine MR images to evaluate its feasibility and performance. This method takes edge messages from Canny edge detector to guide further pixel modification. First, low-resolution (LR) images of fetal spine are interpolated into high-resolution (HR) images with targeted factor by bi-linear method. Then edge information from LR and HR images is put into a twofold strategy to sharpen or soften edge structures. Finally a HR image with well-preserved edge structures is generated. The HR images obtained from proposed method are validated and compared with that from other four EDI methods. Performances are evaluated from six metrics, and subjective analysis of visual quality is based on regions of interest (ROI). All these five EDI methods are able to generate HR images with enriched details. From quantitative analysis of six metrics, the proposed method outperforms the other four from signal-to-noise ratio (SNR), peak signal-to-noise ratio (PSNR), structure similarity index (SSIM), feature similarity index (FSIM) and mutual information (MI) with seconds-level time consumptions (TC). Visual analysis of ROI shows that the proposed method maintains better consistency in edge structures with the original images. The proposed method classifies edge orientations into four categories and well preserves structures. It generates convincing HR images with fine details and is suitable in real-time situations. Iterative curvature-based interpolation (ICBI) method may result in crisper edges, while the other three methods are sensitive to noise and artifacts.

Electronic Structures of Silicene Nanoribbons: Two-Edge-Chemistry Modification and First-Principles Study.

PubMed

Yao, Yin; Liu, Anping; Bai, Jianhui; Zhang, Xuanmei; Wang, Rui

2016-12-01

In this paper, we investigate the structural and electronic properties of zigzag silicene nanoribbons (ZSiNRs) with edge-chemistry modified by H, F, OH, and O, using the ab initio density functional theory method and local spin-density approximation. Three kinds of spin polarized configurations are considered: nonspin polarization (NM), ferromagnetic spin coupling for all electrons (FM), ferromagnetic ordering along each edge, and antiparallel spin orientation between the two edges (AFM). The H, F, and OH groups modified 8-ZSiNRs have the AFM ground state. The directly edge oxidized (O1) ZSiNRs yield the same energy and band structure for NM, FM, and AFM configurations, owning to the same s p (2) hybridization. And replacing the Si atoms on the two edges with O atoms (O2) yields FM ground state. The edge-chemistry-modified ZSiNRs all exhibit metallic band structures. And the modifications introduce special edge state strongly localized at the Si atoms in the edge, except for the O1 form. The modification of the zigzag edges of silicene nanoribbons is a key issue to apply the silicene into the field effect transistors (FETs) and gives more necessity to better understand the experimental findings.

High Power Attenuator and Termination.

DTIC Science & Technology

sections are configured from a single thin film series resistor comprised of gold and a plurality of shunt resistors formed from a layer of cermet which...underlies the gold film resistor. The cermet shunt resistors extend away from the series resistor to the side edge of the substrate where they

78 FR 26720 - Airworthiness Directives; The Boeing Company Airplanes

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-08

..., Revision 2, dated December 22, 2010, terminates the repetitive inspections required by paragraphs (r), (s...; a detailed inspection of certain reveals for a sharp edge and cracking; and corrective action if...-2251. Mail: U.S. Department of Transportation, Docket Operations, M-30, West Building Ground Floor...

Edge detection based on computational ghost imaging with structured illuminations

NASA Astrophysics Data System (ADS)

Yuan, Sheng; Xiang, Dong; Liu, Xuemei; Zhou, Xin; Bing, Pibin

2018-03-01

Edge detection is one of the most important tools to recognize the features of an object. In this paper, we propose an optical edge detection method based on computational ghost imaging (CGI) with structured illuminations which are generated by an interference system. The structured intensity patterns are designed to make the edge of an object be directly imaged from detected data in CGI. This edge detection method can extract the boundaries for both binary and grayscale objects in any direction at one time. We also numerically test the influence of distance deviations in the interference system on edge extraction, i.e., the tolerance of the optical edge detection system to distance deviation. Hopefully, it may provide a guideline for scholars to build an experimental system.

A novel antenna for ultra-wide-band applications

NASA Technical Reports Server (NTRS)

Lai, Albert K. Y.; Sinopoli, Albert L.; Burnside, Walter D.

1992-01-01

An ultrawideband antenna based on a slotline feed structure, a bowtie horn, and a rolled edge termination was developed, analyzed, and measured. Empirical data showed that its beamwidths and bandwidth are dependent on its physical dimensions which are easily controllable by an antenna designer. Measured patterns of models with various radiation properties are shown to substantiate these design rules. A flat plateau-like main beam, low voltage standing-wave ratio (VSWR), the ability to produce both wide (60 deg) and narrow (30 deg) half-power beamwidths, low sidelobes and backlobe (40-50 dB down), low cross-polarized levels (20-25 dB down), and independent control of E- and H-plane beamwidths over an ultrawide bandwidth, say 2-18 GHz, are some of the strong points of this antenna type.

Structure of the runaway electron loss during induced disruptions in TEXTOR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wongrach, K.; Finken, K. H.; Willi, O.

2015-10-15

The loss of runaway electrons during an induced disruption is recorded by a synchrotron imaging technique using a fast infrared CCD camera. The loss is predominantly diffuse. During the “spiky-loss phase”, when the runaway beam moves close to the wall, a narrow channel between the runaway column and a scintillator probe is formed and lasts until the runaway beam is terminated. In some cases, the processed images show a stripe pattern at the plasma edge. A comparison between the MHD dominated disruptions and the MHD-free disruption is performed. A new mechanism of plasma disruptions with the runaway electron generation andmore » a novel model which reproduces many characteristic features of the plasma beam evolution during a disruption is briefly described.« less

The thrust belt in Southwest Montana and east-central Idaho

USGS Publications Warehouse

Ruppel, Edward T.; Lopez, David A.

1984-01-01

The leading edge of the Cordilleran fold and thrust in southwest Montana appears to be a continuation of the edge of the Wyoming thrust belt, projected northward beneath the Snake River Plain. Trces of the thrust faults that form the leading edge of the thrust belts are mostly concealed, but stratigraphic and structural evidence suggests that the belt enters Montana near the middle of the Centennial Mountains, continues west along the Red Rock River valley, and swings north into the Highland Mountains near Butte. The thrust belt in southwest Montana and east-central Idaho includes at least two major plates -- the Medicine Lodge and Grasshopper thrust plates -- each of which contains a distinctive sequence of rocks, different in facies and structural style from those of the cratonic region east of the thrust belt. The thrust plates are characterized by persuasive, open to tight and locally overturned folds, and imbricate thrust faults, structural styles unusual in Phanerozoic cratonic rocks. The basal decollement zones of the plates are composed of intensely sheared, crushed, brecciated, and mylonitized rocks, the decollement at the base of the Medicine Lodge plate is as much as 300 meters thick. The Medicine Lodge and Grasshopper thrust plates are fringed on the east by a 10- to 50-kilometer-wide zone of tightly folded rocks cut by imbricate thrust fauls, a zone that forms the eastern margin of the thrust belt in southwest Montana. The frontal fold and thrust zone includes rocks that are similar to those of the craton, even though they differ in details of thickness, composition, or stratigraphic sequence. The zone is interpreted to be one of terminal folding and thrusting in cratonic rocks overridden by the major thrust plates from farther west. The cratonic rocks were drape-folded over rising basement blocks that formed a foreland bulge in front of the thrust belt. The basement blocks are bounded by steep faults of Proterozoic ancestry, which also moved as tear faults during thrusting, and seem to have controlled the curving patterns of salients and reentrants at the leading edge of the thrust belt. Radiometric and stratiographic evidence shows that the thrust belt was in its present position by about 75 million year go.

MoS2 edges and heterophase interfaces: energy, structure and phase engineering

NASA Astrophysics Data System (ADS)

Zhou, Songsong; Han, Jian; Sun, Jianwei; Srolovitz, David J.

2017-06-01

The transition metal dichalcogenides exhibit polymorphism; i.e. both 2H and 1T‧ crystal structures, each with unique electronic properties. These two phases can coexist within the same monolayer microstructure, producing 2H/1T‧ interfaces. Here we report a systematic investigation of the energetics of the experimentally most important MoS2 heterophase interfaces and edges. The stable interface and edge structures change with chemical potential (these edges/interfaces are usually non-stoichiometric). Stable edges tend to be those of highest atomic density and the stable interfaces correspond to those with local atomic structure very similar to the 2H crystal. The interfacial energies are lower than those of the edges, and the 1T‧ edges have lower energy than the 2H edges. Because the 1T‧ edges have much lower energy than the 2H edges, a sufficiently narrow 1T‧ ribbon will be more stable than the corresponding 2H ribbon (this critical width is much larger in MoTe2 than in MoS2). Similarly, a large 2H flake have an equilibrium strip of 1T‧ along its edge (again this effect is much larger in MoTe2 than in MoS2). Application of tensile strains can increase the width of the stable 1T‧ strip or the critical thickness below which a ribbon favors the 1T‧ structure. These effects provide a means to phase engineer transition metal dichalcogenide microstructures.

Antenna-coupled transition-edge hot-electron microbolometers

NASA Astrophysics Data System (ADS)

Ali, Shafinaz; Timbie, Peter T.; Malu, Siddharth; McCammon, Dan; Nelms, Kari L.; Pathak, Rashmi; van der Weide, Daniel W.; Allen, Christine A.; Abrahams, J.; Chervenak, James A.; Hsieh, Wen-Ting; Miller, Timothy M.; Moseley, S. H., Jr.; Stevenson, Thomas R.; Wollack, Edward J.

2004-10-01

We are developing a new type of detector for observational cosmology and astrophysical research. Incoming radiation from the sky is coupled to a superconducting microstrip transmission line that terminates in a thin film absorber. At sub-Kelvin temperature, the thermal isolation between the electrons and the lattice makes it possible for the electrons in the small absorber (100's of cubic micro-meter) and superconducting bilayer (Transition Edge Sensor) to heat up by the radiation absorbed by the electrons of the normal absorbing layer. We call this detector a Transition-edge Hot-electron Micro-bolometer (THM). THMs can be fabricated by photo lithography, so it is relatively easy to make matched detectors for a large focal plane array telescope. We report on the thermal properties of Mo/Au THMs with Bi/Au absorbers.

The destabilization of an initially thick liquid sheet edge

NASA Astrophysics Data System (ADS)

Lhuissier, Henri; Villermaux, Emmanuel

2011-09-01

By forcing the sudden dewetting of a free soap film attached on one edge to a straight solid wire, we study the recession and subsequent destabilization of its free edge. The newly formed rim bordering the sheet is initially thicker than the film to which it is attached, because of the Plateau border preexisting on the wire. The initial condition is thus that of an immobile massive toroidal rim connected to a thin liquid film of thickness h. The terminal Taylor-Culick receding velocity V =√2σ/ρh , where σ and ρ are the liquid surface tension and density, respectively, is only reached after a transient acceleration period which promotes the rim destabilization. The selected wavelength and associated growth time coincide with those of an inertial instability driven by surface tension.

The Red Edge Problem in asteroid band parameter analysis

NASA Astrophysics Data System (ADS)

Lindsay, Sean S.; Dunn, Tasha L.; Emery, Joshua P.; Bowles, Neil E.

2016-04-01

Near-infrared reflectance spectra of S-type asteroids contain two absorptions at 1 and 2 μm (band I and II) that are diagnostic of mineralogy. A parameterization of these two bands is frequently employed to determine the mineralogy of S(IV) asteroids through the use of ordinary chondrite calibration equations that link the mineralogy to band parameters. The most widely used calibration study uses a Band II terminal wavelength point (red edge) at 2.50 μm. However, due to the limitations of the NIR detectors on prominent telescopes used in asteroid research, spectral data for asteroids are typically only reliable out to 2.45 μm. We refer to this discrepancy as "The Red Edge Problem." In this report, we evaluate the associated errors for measured band area ratios (BAR = Area BII/BI) and calculated relative abundance measurements. We find that the Red Edge Problem is often not the dominant source of error for the observationally limited red edge set at 2.45 μm, but it frequently is for a red edge set at 2.40 μm. The error, however, is one sided and therefore systematic. As such, we provide equations to adjust measured BARs to values with a different red edge definition. We also provide new ol/(ol+px) calibration equations for red edges set at 2.40 and 2.45 μm.

Evidence for long-lived subduction of an ancient tectonic plate beneath the southern Indian Ocean: Ancient Slab Beneath the Indian Ocean

DOE Office of Scientific and Technical Information (OSTI.GOV)

Simmons, N. A.; Myers, S. C.; Johannesson, G.

In this study, ancient subducted tectonic plates have been observed in past seismic images of the mantle beneath North America and Eurasia, and it is likely that other ancient slab structures have remained largely hidden, particularly in the seismic-data-limited regions beneath the vast oceans in the Southern Hemisphere. Here we present a new global tomographic image, which shows a slab-like structure beneath the southern Indian Ocean with coherency from the upper mantle to the core-mantle boundary region—a feature that has never been identified. We postulate that the structure is an ancient tectonic plate that sank into the mantle along anmore » extensive intraoceanic subduction zone that migrated southwestward across the ancient Tethys Ocean in the Mesozoic Era. Slab material still trapped in the transition zone is positioned near the edge of East Gondwana at 140 Ma suggesting that subduction terminated near the margin of the ancient continent prior to breakup and subsequent dispersal of its subcontinents.« less

Evidence for long-lived subduction of an ancient tectonic plate beneath the southern Indian Ocean: Ancient Slab Beneath the Indian Ocean

DOE PAGES

Simmons, N. A.; Myers, S. C.; Johannesson, G.; ...

2015-11-14

In this study, ancient subducted tectonic plates have been observed in past seismic images of the mantle beneath North America and Eurasia, and it is likely that other ancient slab structures have remained largely hidden, particularly in the seismic-data-limited regions beneath the vast oceans in the Southern Hemisphere. Here we present a new global tomographic image, which shows a slab-like structure beneath the southern Indian Ocean with coherency from the upper mantle to the core-mantle boundary region—a feature that has never been identified. We postulate that the structure is an ancient tectonic plate that sank into the mantle along anmore » extensive intraoceanic subduction zone that migrated southwestward across the ancient Tethys Ocean in the Mesozoic Era. Slab material still trapped in the transition zone is positioned near the edge of East Gondwana at 140 Ma suggesting that subduction terminated near the margin of the ancient continent prior to breakup and subsequent dispersal of its subcontinents.« less

Bottom-up formation of robust gold carbide

PubMed Central

Westenfelder, Benedikt; Biskupek, Johannes; Meyer, Jannik C.; Kurasch, Simon; Lin, Xiaohang; Scholz, Ferdinand; Gross, Axel; Kaiser, Ute

2015-01-01

A new phenomenon of structural reorganization is discovered and characterized for a gold-carbon system by in-situ atomic-resolution imaging at temperatures up to 1300 K. Here, a graphene sheet serves in three ways, as a quasi transparent substrate for aberration-corrected high-resolution transmission electron microscopy, as an in-situ heater, and as carbon supplier. The sheet has been decorated with gold nanoislands beforehand. During electron irradiation at 80 kV and at elevated temperatures, the accumulation of gold atoms has been observed on defective graphene sites or edges as well as at the facets of gold nanocrystals. Both resulted in clustering, forming unusual crystalline structures. Their lattice parameters and surface termination differ significantly from standard gold nanocrystals. The experimental data, supported by electron energy loss spectroscopy and density-functional theory calculations, suggests that isolated gold and carbon atoms form – under conditions of heat and electron irradiation – a novel type of compound crystal, Au-C in zincblende structure. The novel material is metastable, but surprisingly robust, even under annealing condition. PMID:25772348

Electrically tunable robust edge states in graphene-based topological photonic crystal slabs

NASA Astrophysics Data System (ADS)

Song, Zidong; Liu, HongJun; Huang, Nan; Wang, ZhaoLu

2018-03-01

Topological photonic crystals are optical structures supporting topologically protected unidirectional edge states that exhibit robustness against defects. Here, we propose a graphene-based all-dielectric photonic crystal slab structure that supports two-dimensionally confined topological edge states. These topological edge states can be confined in the out-of-plane direction by two parallel graphene sheets. In the structure, the excitation frequency range of topological edge states can be dynamically and continuously tuned by varying bias voltage across the two parallel graphene sheets. Utilizing this kind of architecture, we construct Z-shaped channels to realize topological edge transmission with diffrerent frequencies. The proposal provides a new degree of freedom to dynamically control topological edge states and potential applications for robust integrated photonic devices and optical communication systems.

78 FR 52419 - Airworthiness Directives; The Boeing Company Airplanes

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-23

... trailing edge flap area that qualify as structural significant items (SSIs). This AD requires revising the... detect and correct fatigue cracking of the wing trailing edge structure, which could result in... within the wing trailing edge flap area that qualify as structural significant items (SSI). We are...

In situ fabrication of quasi-free-standing epitaxial graphene nanoflakes on gold.

PubMed

Leicht, Philipp; Zielke, Lukas; Bouvron, Samuel; Moroni, Riko; Voloshina, Elena; Hammerschmidt, Lukas; Dedkov, Yuriy S; Fonin, Mikhail

2014-04-22

Addressing the multitude of electronic phenomena theoretically predicted for confined graphene structures requires appropriate in situ fabrication procedures yielding graphene nanoflakes (GNFs) with well-defined geometries and accessible electronic properties. Here, we present a simple strategy to fabricate quasi-free-standing GNFs of variable sizes, performing temperature programmed growth of graphene flakes on the Ir(111) surface and subsequent intercalation of gold. Using scanning tunneling microscopy (STM), we show that epitaxial GNFs on a perfectly ordered Au(111) surface are formed while maintaining an unreconstructed, singly hydrogen-terminated edge structure, as confirmed by the accompanying density functional theory (DFT) calculations. Using tip-induced lateral displacement of GNFs, we demonstrate that GNFs on Au(111) are to a large extent decoupled from the Au(111) substrate. The direct accessibility of the electronic states of a single GNF is demonstrated upon analysis of the quasiparticle interference patterns obtained by low-temperature STM. These findings open up an interesting playground for diverse investigations of graphene nanostructures with possible implications for device fabrication.

Cold cathode emission studies on topographically modified few layer and single layer MoS2 films

NASA Astrophysics Data System (ADS)

Gaur, Anand P. S.; Sahoo, Satyaprakash; Mendoza, Frank; Rivera, Adriana M.; Kumar, Mohit; Dash, Saroj P.; Morell, Gerardo; Katiyar, Ram S.

2016-01-01

Nanostructured materials, such as carbon nanotubes, are excellent cold cathode emitters. Here, we report comparative field emission (FE) studies on topographically tailored few layer MoS2 films consisting of ⟨0001⟩ plane perpendicular (⊥) to c-axis (i.e., edge terminated vertically aligned) along with planar few layer and monolayer (1L) MoS2 films. FE measurements exhibited lower turn-on field Eto (defined as required applied electric field to emit current density of 10 μA/cm2) ˜4.5 V/μm and higher current density ˜1 mA/cm2, for edge terminated vertically aligned (ETVA) MoS2 films. However, Eto magnitude for planar few layer and 1L MoS2 films increased further to 5.7 and 11 V/μm, respectively, with one order decrease in emission current density. The observed differences in emission behavior, particularly for ETVA MoS2 is attributed to the high value of geometrical field enhancement factor (β), found to be ˜1064, resulting from the large confinement of localized electric field at edge exposed nanograins. Emission behavior of planar few layers and 1L MoS2 films are explained under a two step emission mechanism. Our studies suggest that with further tailoring the microstructure of ultra thin ETVA MoS2 films would result in elegant FE properties.

Comparison of morphological and conventional edge detectors in medical imaging applications

NASA Astrophysics Data System (ADS)

Kaabi, Lotfi; Loloyan, Mansur; Huang, H. K.

1991-06-01

Recently, mathematical morphology has been used to develop efficient image analysis tools. This paper compares the performance of morphological and conventional edge detectors applied to radiological images. Two morphological edge detectors including the dilation residue found by subtracting the original signal from its dilation by a small structuring element, and the blur-minimization edge detector which is defined as the minimum of erosion and dilation residues of the blurred image version, are compared with the linear Laplacian and Sobel and the non-linear Robert edge detectors. Various structuring elements were used in this study: regular 2-dimensional, and 3-dimensional. We utilized two criterions for edge detector's performance classification: edge point connectivity and the sensitivity to the noise. CT/MR and chest radiograph images have been used as test data. Comparison results show that the blur-minimization edge detector, with a rolling ball-like structuring element outperforms other standard linear and nonlinear edge detectors. It is less noise sensitive, and performs the most closed contours.

Computational insight into the capacitive performance of graphene edge planes

DOE PAGES

Zhan, Cheng; Zhang, Yu; Cummings, Peter T.; ...

2017-02-01

Recent experiments have shown that electric double-layer capacitors utilizing electrodes consisting of graphene edge plane exhibit higher capacitance than graphene basal plane. However, theoretical understanding of this capacitance enhancement is still limited. Here we applied a self-consistent joint density functional theory calculation on the electrode/electrolyte interface and found that the capacitance of graphene edge plane depends on the edge type: zigzag edge has higher capacitance than armchair edge due to the difference in their electronic structures. We further examined the quantum, dielectric, and electric double-layer (EDL) contributions to the total capacitance of the edge-plane electrodes. Classical molecular dynamics simulation foundmore » that the edge planes have higher EDL capacitance than the basal plane due to better adsorption of counter-ions and higher solvent accessible surface area. Finally, our work therefore has elucidated the capacitive energy storage in graphene edge planes that take into account both the electrode's electronic structure and the EDL structure.« less

47 CFR 51.709 - Rate structure for transport and termination.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 3 2010-10-01 2010-10-01 false Rate structure for transport and termination... SERVICES (CONTINUED) INTERCONNECTION Reciprocal Compensation for Transport and Termination of Telecommunications Traffic § 51.709 Rate structure for transport and termination. (a) In state proceedings, a state...

47 CFR 51.709 - Rate structure for transport and termination.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 47 Telecommunication 3 2011-10-01 2011-10-01 false Rate structure for transport and termination... SERVICES (CONTINUED) INTERCONNECTION Reciprocal Compensation for Transport and Termination of Telecommunications Traffic § 51.709 Rate structure for transport and termination. (a) In state proceedings, a state...

Opposite consequences of two transcription pauses caused by an intrinsic terminator oligo(U): antitermination versus termination by bacteriophage T7 RNA polymerase.

PubMed

Lee, Sooncheol; Kang, Changwon

2011-05-06

The RNA oligo(U) sequence, along with an immediately preceding RNA hairpin structure, is an essential cis-acting element for bacterial class I intrinsic termination. This sequence not only causes a pause in transcription during the beginning of the termination process but also facilitates transcript release at the end of the process. In this study, the oligo(U) sequence of the bacteriophage T7 intrinsic terminator Tφ, rather than the hairpin structure, induced pauses of phage T7 RNA polymerase not only at the termination site, triggering a termination process, but also 3 bp upstream, exerting an antitermination effect. The upstream pause presumably allowed RNA to form a thermodynamically more stable secondary structure rather than a terminator hairpin and to persist because the 5'-half of the terminator hairpin-forming sequence could be sequestered by a farther upstream sequence via sequence-specific hybridization, prohibiting formation of the terminator hairpin and termination. The putative antiterminator RNA structure lacked several base pairs essential for termination when probed using RNases A, T1, and V1. When the antiterminator was destabilized by incorporation of IMP into nascent RNA at G residue positions, antitermination was abolished. Furthermore, antitermination strength increased with more stable antiterminator secondary structures and longer pauses. Thus, the oligo(U)-mediated pause prior to the termination site can exert a cis-acting antitermination activity on intrinsic terminator Tφ, and the termination efficiency depends primarily on the termination-interfering pause that precedes the termination-facilitating pause at the termination site.

Edge-based image restoration.

PubMed

Rareş, Andrei; Reinders, Marcel J T; Biemond, Jan

2005-10-01

In this paper, we propose a new image inpainting algorithm that relies on explicit edge information. The edge information is used both for the reconstruction of a skeleton image structure in the missing areas, as well as for guiding the interpolation that follows. The structure reconstruction part exploits different properties of the edges, such as the colors of the objects they separate, an estimate of how well one edge continues into another one, and the spatial order of the edges with respect to each other. In order to preserve both sharp and smooth edges, the areas delimited by the recovered structure are interpolated independently, and the process is guided by the direction of the nearby edges. The novelty of our approach lies primarily in exploiting explicitly the constraint enforced by the numerical interpretation of the sequential order of edges, as well as in the pixel filling method which takes into account the proximity and direction of edges. Extensive experiments are carried out in order to validate and compare the algorithm both quantitatively and qualitatively. They show the advantages of our algorithm and its readily application to real world cases.

Electronic properties of graphene nano-flakes: Energy gap, permanent dipole, termination effect, and Raman spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Sandeep Kumar, E-mail: SandeepKumar.Singh@uantwerpen.be; Peeters, F. M., E-mail: Francois.Peeters@uantwerpen.be; Neek-Amal, M., E-mail: neekamal@srttu.edu

2014-02-21

The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C{sub N{sub c}} X{sub N{sub x}} (X = F or H). We studied GNFs with 10 < N{sub c} < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Δ between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N{sub c}, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interactionmore » of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy.« less

Photoemission and Photoabsorption Investigation of the Electronic Structure of Ytterbium Doped Strontium Fluoroapatite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, A J; van Buuren, T; Bostedt, C

X-ray photoemission and x-ray photoabsorption were used to study the composition and the electronic structure of ytterbium doped strontium fluoroapatite (Yb:S-FAP). High resolution photoemission measurements on the valence band electronic structure was used to evaluate the density of occupied states of this fluoroapatite. Element specific density of unoccupied electronic states in Yb:S-FAP were probed by x-ray absorption spectroscopy (XAS) at the Yb 4d (N{sub 4,5}-edge), Sr 3d (M{sub 4,5}-edge), P 2p (L{sub 2,3}-edge), F 1s and O 1s (K-edges) absorption edges. These results provide the first measurements of the electronic structure and surface chemistry of this material.

Optical panel system including stackable waveguides

DOE Office of Scientific and Technical Information (OSTI.GOV)

DeSanto, Leonard; Veligdan, James T.

An optical panel system including stackable waveguides is provided. The optical panel system displays a projected light image and comprises a plurality of planar optical waveguides in a stacked state. The optical panel system further comprises a support system that aligns and supports the waveguides in the stacked state. In one embodiment, the support system comprises at least one rod, wherein each waveguide contains at least one hole, and wherein each rod is positioned through a corresponding hole in each waveguide. In another embodiment, the support system comprises at least two opposing edge structures having the waveguides positioned therebetween, whereinmore » each opposing edge structure contains a mating surface, wherein opposite edges of each waveguide contain mating surfaces which are complementary to the mating surfaces of the opposing edge structures, and wherein each mating surface of the opposing edge structures engages a corresponding complementary mating surface of the opposite edges of each waveguide.« less

Optical panel system including stackable waveguides

DOEpatents

DeSanto, Leonard; Veligdan, James T.

2007-03-06

An optical panel system including stackable waveguides is provided. The optical panel system displays a projected light image and comprises a plurality of planar optical waveguides in a stacked state. The optical panel system further comprises a support system that aligns and supports the waveguides in the stacked state. In one embodiment, the support system comprises at least one rod, wherein each waveguide contains at least one hole, and wherein each rod is positioned through a corresponding hole in each waveguide. In another embodiment, the support system comprises at least two opposing edge structures having the waveguides positioned therebetween, wherein each opposing edge structure contains a mating surface, wherein opposite edges of each waveguide contain mating surfaces which are complementary to the mating surfaces of the opposing edge structures, and wherein each mating surface of the opposing edge structures engages a corresponding complementary mating surface of the opposite edges of each waveguide.

Crystal structure of the Haemophilus influenzae Hap adhesin reveals an intercellular oligomerization mechanism for bacterial aggregation

PubMed Central

Meng, Guoyu; Spahich, Nicole; Kenjale, Roma; Waksman, Gabriel; St Geme, Joseph W

2011-01-01

Bacterial biofilms are complex microbial communities that are common in nature and are being recognized increasingly as an important determinant of bacterial virulence. However, the structural determinants of bacterial aggregation and eventual biofilm formation have been poorly defined. In Gram-negative bacteria, a major subgroup of extracellular proteins called self-associating autotransporters (SAATs) can mediate cell–cell adhesion and facilitate biofilm formation. In this study, we used the Haemophilus influenzae Hap autotransporter as a prototype SAAT to understand how bacteria associate with each other. The crystal structure of the H. influenzae HapS passenger domain (harbouring the SAAT domain) was determined to 2.2 Å by X-ray crystallography, revealing an unprecedented intercellular oligomerization mechanism for cell–cell interaction. The C-terminal SAAT domain folds into a triangular-prism-like structure that can mediate Hap–Hap dimerization and higher degrees of multimerization through its F1–F2 edge and F2 face. The intercellular multimerization can give rise to massive buried surfaces that are required for overcoming the repulsive force between cells, leading to bacterial cell–cell interaction and formation of complex microcolonies. PMID:21841773

STM/STS investigation of edge structure in epitaxial graphene

NASA Astrophysics Data System (ADS)

Ridene, M.; Girard, J. C.; Travers, L.; David, C.; Ouerghi, A.

2012-08-01

In this paper, we have used low temperature scanning tunneling microscopy and spectroscopy (LT-STM/STS) to study zigzag or armchair edges of epitaxial graphene on 6H-SiC (0001). The monolayer carbon structures exhibit occasionally one-dimensional ridge (1D) in close vicinity to step edge. This ridge exhibits different edges orientations in armchair-zigzag transition which give rise to different local density of states (LDOS) along this 1D structure. This ridge formation is likely explained by residual compressive in-plane stresses.

Nonlocal superconducting correlations in graphene in the quantum Hall regime

NASA Astrophysics Data System (ADS)

Beconcini, Michael; Polini, Marco; Taddei, Fabio

2018-05-01

We study Andreev processes and nonlocal transport in a three-terminal graphene-superconductor hybrid system under a quantizing perpendicular magnetic field [G.-H. Lee et al., Nat. Phys. 13, 693 (2017), 10.1038/nphys4084]. We find that the amplitude of the crossed Andreev reflection (CAR) processes crucially depends on the orientation of the lattice. By employing Landauer-Büttiker scattering theory, we find that CAR is generally very small for a zigzag edge, while for an armchair edge it can be larger than the normal transmission, thereby resulting in a negative nonlocal resistance. In the case of an armchair edge and with a wide superconducting region (as compared to the superconducting coherence length), CAR exhibits large oscillations as a function of the magnetic field due to interference effects. This results in sign changes of the nonlocal resistance.

Self-Similarity of Plasmon Edge Modes on Koch Fractal Antennas.

PubMed

Bellido, Edson P; Bernasconi, Gabriel D; Rossouw, David; Butet, Jérémy; Martin, Olivier J F; Botton, Gianluigi A

2017-11-28

We investigate the plasmonic behavior of Koch snowflake fractal geometries and their possible application as broadband optical antennas. Lithographically defined planar silver Koch fractal antennas were fabricated and characterized with high spatial and spectral resolution using electron energy loss spectroscopy. The experimental data are supported by numerical calculations carried out with a surface integral equation method. Multiple surface plasmon edge modes supported by the fractal structures have been imaged and analyzed. Furthermore, by isolating and reproducing self-similar features in long silver strip antennas, the edge modes present in the Koch snowflake fractals are identified. We demonstrate that the fractal response can be obtained by the sum of basic self-similar segments called characteristic edge units. Interestingly, the plasmon edge modes follow a fractal-scaling rule that depends on these self-similar segments formed in the structure after a fractal iteration. As the size of a fractal structure is reduced, coupling of the modes in the characteristic edge units becomes relevant, and the symmetry of the fractal affects the formation of hybrid modes. This analysis can be utilized not only to understand the edge modes in other planar structures but also in the design and fabrication of fractal structures for nanophotonic applications.

Research on improved edge extraction algorithm of rectangular piece

NASA Astrophysics Data System (ADS)

He, Yi-Bin; Zeng, Ya-Jun; Chen, Han-Xin; Xiao, San-Xia; Wang, Yan-Wei; Huang, Si-Yu

Traditional edge detection operators such as Prewitt operator, LOG operator and Canny operator, etc. cannot meet the requirements of the modern industrial measurement. This paper proposes a kind of image edge detection algorithm based on improved morphological gradient. It can be detect the image using structural elements, which deals with the characteristic information of the image directly. Choosing different shapes and sizes of structural elements to use together, the ideal image edge information can be detected. The experimental result shows that the algorithm can well extract image edge with noise, which is clearer, and has more detailed edges compared with the previous edge detection algorithm.

Design of a Temperature-Responsive Transcription Terminator.

PubMed

Roßmanith, Johanna; Weskamp, Mareen; Narberhaus, Franz

2018-02-16

RNA structures regulate various steps in gene expression. Transcription in bacteria is typically terminated by stable hairpin structures. Translation initiation can be modulated by metabolite- or temperature-sensitive RNA structures, called riboswitches or RNA thermometers (RNATs), respectively. RNATs control translation initiation by occlusion of the ribosome binding site at low temperatures. Increasing temperatures destabilize the RNA structure and facilitate ribosome access. In this study, we exploited temperature-responsive RNAT structures to design regulatory elements that control transcription termination instead of translation initiation in Escherichia coli. In order to mimic the structure of factor-independent intrinsic terminators, naturally occurring RNAT hairpins were genetically engineered to be followed by a U-stretch. Functional temperature-responsive terminators (thermoterms) prevented mRNA synthesis at low temperatures but resumed transcription after a temperature upshift. The successful design of temperature-controlled terminators highlights the potential of RNA structures as versatile gene expression control elements.

Population census of Megacopta cribraria (Hemiptera: Plataspidae) in kudzu in Georgia, USA, 2013-2016

USDA-ARS?s Scientific Manuscript database

Kudzu bug populations, predators, and parasitoid and fungal infection rates in 7 kudzu patches were censused from 2013 through 2016 in north-central and southern Georgia. Within these sites, the terminal growth where most eggs are oviposited of 25 randomly selected kudzu vines at the patch edge, fr...

Liquid-film electron stripper

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gavin, B.F.

1986-12-02

This patent describes an improved liquid-film electron stripper for high intensity heavy ion beams comprising: at least one rotatable disc mounted in a housing, means for rotating the disc, a liquid reservoir operatively connected to the housing, means for directing liquid from the reservoir onto the rotatable disc for forming a film of liquid as liquid is spun from the disc, the disc being configured to define a sharp edge located at one side of the periphery of the disc, and configured to include a flat, smooth radially outer section located adjacent the sharp edge, the liquid being directed ontomore » the flat, smooth section of the disc, the means for directing liquid onto the disc including a nozzle positioned with respect to the disc so that liquid from the nozzle impinges at about a 90/sup 0/ angle with respect to the flat, smooth surface of the disc, and liquid film terminator means located in spaced relation to the disc and approximately perpendicular to a formed liquid film, the terminator means comprising at least one ribbon of material secured to the housing.« less

Gating geometry studies of thin-walled 17-4PH investment castings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maguire, M.C.; Zanner, F.J.

1992-11-01

The ability to design gating systems that reliably feed and support investment castings is often the result of ``cut-and-try`` methodology. Factors such as hot tearing, porosity, cold shuts, misruns, and shrink are defects often corrected by several empirical gating design iterations. Sandia National Laboratories is developing rules that aid in removing the uncertainty involved in the design of gating systems for investment castings. In this work, gating geometries used for filling of thin walled investment cast 17-4PH stainless steel flat plates were investigated. A full factorial experiment evaluating the influence of metal pour temperature, mold preheat temperature, and mold channelmore » thickness were conducted for orientations that filled a horizontal flat plate from the edge. A single wedge gate geometry was used for the edge-gated configuration. Thermocouples placed along the top of the mold recorded metal front temperatures, and a real-time x-ray imaging system tracked the fluid flow behavior during filling of the casting. Data from these experiments were used to determine the terminal fill volumes and terminal fill times for each gate design.« less

Gating geometry studies of thin-walled 17-4PH investment castings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maguire, M.C.; Zanner, F.J.

1992-01-01

The ability to design gating systems that reliably feed and support investment castings is often the result of cut-and-try'' methodology. Factors such as hot tearing, porosity, cold shuts, misruns, and shrink are defects often corrected by several empirical gating design iterations. Sandia National Laboratories is developing rules that aid in removing the uncertainty involved in the design of gating systems for investment castings. In this work, gating geometries used for filling of thin walled investment cast 17-4PH stainless steel flat plates were investigated. A full factorial experiment evaluating the influence of metal pour temperature, mold preheat temperature, and mold channelmore » thickness were conducted for orientations that filled a horizontal flat plate from the edge. A single wedge gate geometry was used for the edge-gated configuration. Thermocouples placed along the top of the mold recorded metal front temperatures, and a real-time x-ray imaging system tracked the fluid flow behavior during filling of the casting. Data from these experiments were used to determine the terminal fill volumes and terminal fill times for each gate design.« less

Structure and dynamics in self-organized C60 fullerenes.

PubMed

Patnaik, Archita

2007-01-01

This manuscript on 'structure and dynamics in self-organized C60 fullerenes' has three sections dealing with: (A) pristine C60 aggregate structure and geometry in solvents of varying dielectric constant. Here, using positronium (Ps) as a fundamental probe which maps changes in the local electron density of the microenvironment, the onset concentration for stable C60 aggregate formation and its phase behavior is deduced from the specific interactions of the Ps atom with the surrounding. (B) A novel methanofullerene dyad, based on a hydrophobic (acceptor C60 moiety)-hydrophilic (bridge with benzene and ester functionalities)-hydrophobic (donor didodecyloxybenzene) network is chosen for investigation of characteristic self-assembly it undergoes leading to supramolecular aggregates. The pi-electronic amphiphile, necessitating a critical dielectric constant epsilon > or = 30 in binary THF-water mixtures, dictated the formation of bilayer vesicles as precursors for spherical fractal aggregates upon complete dyad extraction into a more polar water phase. (C) While the molecular orientation is dependent on the packing density, the ordering of the molecular arrangement, indispensable for self-assembly depends on the balance between the structures demanded by inter-molecular and molecule-substrate interactions. The molecular orientation in a monolayer affects the orientation in a multilayer, formed on the monolayer, suggesting the possibility of the latter to act as a template for controlling the structure of the three dimensionally grown self-assembled molecular aggregation. A systematic study on the electronic structure and orientation associated with C60 functionalized aminothiol self-assembled monolayers on Au(111) surface is presented using surface sensitive Ultra-Violet Photoelectron Spectroscopy (UPS) and C-K edge Near-Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy. The results revealed drastic modifications to d-band structure of Au(111) and the electronic structure was found sensitive towards the S-Au interface and the C60 end functional moiety with formation of localized sigma-(S-Au) and sigma(N-C) bonds, respectively. Upon binding C60 to the amine-terminated alkanethiol SAM, a drastically reduced HOMO-LUMO gap of 2.7 eV as compared to a large electronic gap of approximately 8 eV in alkanethiols enables the SAM to be a potential electron transport medium.

Edge grouping combining boundary and region information.

PubMed

Stahl, Joachim S; Wang, Song

2007-10-01

This paper introduces a new edge-grouping method to detect perceptually salient structures in noisy images. Specifically, we define a new grouping cost function in a ratio form, where the numerator measures the boundary proximity of the resulting structure and the denominator measures the area of the resulting structure. This area term introduces a preference towards detecting larger-size structures and, therefore, makes the resulting edge grouping more robust to image noise. To find the optimal edge grouping with the minimum grouping cost, we develop a special graph model with two different kinds of edges and then reduce the grouping problem to finding a special kind of cycle in this graph with a minimum cost in ratio form. This optimal cycle-finding problem can be solved in polynomial time by a previously developed graph algorithm. We implement this edge-grouping method, test it on both synthetic data and real images, and compare its performance against several available edge-grouping and edge-linking methods. Furthermore, we discuss several extensions of the proposed method, including the incorporation of the well-known grouping cues of continuity and intensity homogeneity, introducing a factor to balance the contributions from the boundary and region information, and the prevention of detecting self-intersecting boundaries.

Strong excitonic interactions in the oxygen K-edge of perovskite oxides.

PubMed

Tomita, Kota; Miyata, Tomohiro; Olovsson, Weine; Mizoguchi, Teruyasu

2017-07-01

Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO 3 , SrTiO 3 , and BaTiO 3 , together with reference oxides, MgO, CaO, SrO, BaO, and TiO 2 , were investigated using a first-principles Bethe-Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti-O-Ti bonds. Copyright © 2016 Elsevier B.V. All rights reserved.

Transition-Edge Hot-Electron Microbolometers for Millimeter and Submillimeter Astrophysics

NASA Technical Reports Server (NTRS)

Hsieh, Wen-Ting; Stevenson, Thomas; U-yen, Kongpop; Wollack, Edward; Barrentine, Emily

2014-01-01

The millimeter and the submillimeter wavelengths of the electromagnetic spectrum hold a wealth of information about the evolution of the universe. In particular, cosmic microwave background (CMB) radiation and its polarization carry the oldest information in the universe, and provide the best test of the inflationary paradigm available to astronomy today. Detecting gravity waves through their imprint on the CMB polarization would have extraordinary repercussions for cosmology and physics. A transition-edge hot-electron micro - bolometer (THM) consists of a superconducting bilayer transition-edge sensor (TES) with a thin-film absorber. Unlike traditional monolithic bolometers that make use of micromachined structures, the THM em ploys the decoupling between electrons and phonons at millikelvin temperatures to provide thermal isolation. The devices are fabricated photolithographically and are easily integrated with antennas via microstrip transmission lines, and with SQUID (superconducting quantum interference device) readouts. The small volume of the absorber and TES produces a short thermal time constant that facilitates rapid sky scanning. The THM consists of a thin-film metal absorber overlapping a superconducting TES. The absorber forms the termination of a superconducting microstripline that carries RF power from an antenna. The purpose of forming a separate absorber and TES is to allow flexibility in the optimization of the two components. In particular, the absorbing film's impedance can be chosen to match the antenna, while the TES impedance can be chosen to match to the readout SQUID amplifier. This scheme combines the advantages of the TES with the advantages of planar millimeter-wave transmission line circuits. Antenna-coupling to the detectors via planar transmission lines allows the detector dimensions to be much smaller than a wavelength, so the technique can be extended across the entire microwave, millimeter, and submillimeter wavelength ranges. The circuits are fabricated using standard microlithographic techniques and are compatible with uniform, large array formats. Unlike traditional monolithic bolometers that make use of micromachined structures, the THM employs the decoupling between electrons and phonons at millikelvin temperatures to provide thermal isolation. There is no fragile membrane in the structure for thermal isolation, which improves the fabrication yield.

Development of a cyber physical apparatus for investigating fluid structure interaction on leading edge vortex evolution

NASA Astrophysics Data System (ADS)

Raghu Gowda, Belagumba Venkatachalaiah

This dissertation examines how simple structural compliance impacts a specific transient vortex phenomenon that occurs on high angle of attack lifting surfaces termed dynamic stall. In many Fluid structure interaction (FSI) research efforts, a purely physical or purely computational approach is taken. In this work a low cost cyber-physical (CPFD) system is designed and developed for representing the FSI in the leading edge vortex (LEV) development problem. The leading edge compliance appears to be favorable in a specific spring constant range for a given wing. When the leading edge compliance prescribed via CPFD system is too low compared with the moment due to dynamic pressure or fluid unsteady effect, the LEV behavior is similar to that of a rigid wing system. When the leading edge compliance is too high, excessive compliance is introduced into the wing system and the leading edge vortex evolution is affected by the large change in wing angle. At moderate leading edge compliance, a balance appears to be achieved in which the leading edge vorticity shedding rate supports the long term evolution of the leading edge vortex. Further investigation is required to determine specific parameters governing these leading edge compliance ranges.

The Junction of Hellenic and Cyprus Arcs: the Bey Daglari Lineament, Offshore Termination of the Antalya Basin

NASA Astrophysics Data System (ADS)

Gogacz, A.; Hall, J.; Cifci, G.; Yasar, D.; Kucuk, M.; Yaltirak, C.; Aksu, A.

2009-05-01

The Antalya Basin is one of a series of basins that sweep along the Cyprus Arc in the forearc region between the (formerly) volcanic Tauride Mountains on Turkey in the north and the subduction zone and associated suture between the African plate and the Aegean-Anatolian microplate in the eastern Mediterranean, south of Cyprus. Miocene contraction occurs widely on southwest verging thrusts. Pliocene-Quaternary structures vary from extension/transtension in the northeast, adjacent to the Turkish coastline, to transpression in the southwest, farther offshore. All these structures are truncated at the northwest end of the Antalya Basin by a broad zone of NNE-SSW-trending transverse structure that appears to represent a prolongation of the extreme easterly transform end of the Hellenic arc. Our mapping suggests that this broad zone links the Hellenic Arc with the Isparta Angle in southern Turkey, which we suggest is an earlier location of the junction of Hellenic and Cyprus Arcs: the junction migrated to the southwest over time, as the Hellenic Arc rolled back. The Turkish coastline turns from parallel to the Antalya Basin structures in the east to a N-S orientation, cutting across the trend of the Antalya Basin. The Antalya Complex and the Bey Dağları Mountains provide a spectacular backdrop to this edge of the offshore basin. Somewhere offshore lies the structural termination of the Antalya Basin. In 2001, we acquired around 400 km of high-resolution multi-channel seismic reflection data across the western end of the Antalya Basin to explore the nature of the termination, which we call the Bey Dağları lineament. We present a selection of the seismic profiles with interpretation of the nature and Neogene history of the lineament. Landward of the N-S-trending coastline, ophiolites of the Antalya Complex are exposed in a series of westerly-verging thrust slivers that extend to the carbonate sequences of the Bey Dağları Mountains. Our seismic data indicate that N-S trending west- and east-verging thrusts define a transpressional continental margin. The shelf is underlain by a prominent angular unconformity between overlying shallow-dipping Pliocene-Quaternary sediments and underlying, easterly- dipping ?Miocene sediments.

X-ray absorption near edge structure/electron energy loss near edge structure calculation using the supercell orthogonalized linear combination of atomic orbitals method

NASA Astrophysics Data System (ADS)

Ching, Wai-Yim; Rulis, Paul

2009-03-01

Over the last eight years, a large number of x-ray absorption near edge structure (XANES) and/or electron energy loss near edge structure (ELNES) spectroscopic calculations for complex oxides and nitrides have been performed using the supercell-OLCAO (orthogonalized linear combination of atomic orbitals) method, obtaining results in very good agreement with experiments. The method takes into account the core-hole effect and includes the dipole matrix elements calculated from ab initio wavefunctions. In this paper, we describe the method in considerable detail, emphasizing the special advantages of this method for large complex systems. Selected results are reviewed and several hitherto unpublished results are also presented. These include the Y K edge of Y ions segregated to the core of a Σ31 grain boundary in alumina, O K edges of water molecules, C K edges in different types of single walled carbon nanotubes, and the Co K edge in the cyanocobalamin (vitamin B12) molecule. On the basis of these results, it is argued that the interpretation of specific features of the calculated XANES/ELNES edges is not simple for complex material systems because of the delocalized nature of the conduction band states. The long-standing notion of the 'fingerprinting' technique for spectral interpretation of experimental data is not tenable. A better approach is to fully characterize the structure under study, using either crystalline data or accurate ab initio modeling. Comparison between calculated XANES/ELNES spectra and available measurements enables us to ascertain the validity of the modeled structure. For complex crystals or structures, it is necessary to use the weighted sum of the spectra from structurally nonequivalent sites for comparison with the measured data. Future application of the supercell-OLCAO method to complex biomolecular systems is also discussed.

Structure and Regulatory Interactions of the Cytoplasmic Terminal Domains of Serotonin Transporter

PubMed Central

2014-01-01

Uptake of neurotransmitters by sodium-coupled monoamine transporters of the NSS family is required for termination of synaptic transmission. Transport is tightly regulated by protein–protein interactions involving the small cytoplasmic segments at the amino- and carboxy-terminal ends of the transporter. Although structures of homologues provide information about the transmembrane regions of these transporters, the structural arrangement of the terminal domains remains largely unknown. Here, we combined molecular modeling, biochemical, and biophysical approaches in an iterative manner to investigate the structure of the 82-residue N-terminal and 30-residue C-terminal domains of human serotonin transporter (SERT). Several secondary structures were predicted in these domains, and structural models were built using the Rosetta fragment-based methodology. One-dimensional 1H nuclear magnetic resonance and circular dichroism spectroscopy supported the presence of helical elements in the isolated SERT N-terminal domain. Moreover, introducing helix-breaking residues within those elements altered the fluorescence resonance energy transfer signal between terminal cyan fluorescent protein and yellow fluorescent protein tags attached to full-length SERT, consistent with the notion that the fold of the terminal domains is relatively well-defined. Full-length models of SERT that are consistent with these and published experimental data were generated. The resultant models predict confined loci for the terminal domains and predict that they move apart during the transport-related conformational cycle, as predicted by structures of homologues and by the “rocking bundle” hypothesis, which is consistent with spectroscopic measurements. The models also suggest the nature of binding to regulatory interaction partners. This study provides a structural context for functional and regulatory mechanisms involving SERT terminal domains. PMID:25093911

MAST magnetic diagnostics

NASA Astrophysics Data System (ADS)

Edlington, T.; Martin, R.; Pinfold, T.

2001-01-01

The mega-ampere spherical tokamak (MAST) experiment is a new, large, low aspect ratio device (R=0.7-0.8 m, a=0.5-0.65 m, maximum BT˜0.63 T at R=0.7 m) operating its first experimental physics campaign. Designed to study a wide variety of plasma shapes with up to 2 MA of plasma current with an aspect ratio down to 1.3, the poloidal field (PF) coils used for plasma formation, equilibrium and shaping are inside the main vacuum vessel. For plasma control and to investigate a wide range of plasma phenomena, an extensive set of magnetic diagnostics have been installed inside the vacuum vessel. More than 600 vacuum compatible, bakeable diagnostic coils are configured in a number of discrete arrays close to the plasma edge with about half the coils installed behind the graphite armour tiles covering the center column. The coil arrays measure the toroidal and poloidal variation in the equilibrium field and its high frequency fluctuating components. Internal coils also measure currents in the PF coils, plasma current, stored energy and induced currents in the mechanical support structures of the coils and graphite armour tiles. The latter measurements are particularly important when halo currents are induced following a plasma termination, for example, when the plasma becomes vertically unstable. The article describes the MAST magnetic diagnostic coil set and their calibration. The way in which coil signals are used to control the plasma equilibrium is described and data from the first MAST experimental campaign presented. These coil data are used as input to the code EFIT [L. Lao et al., Nucl. Fusion 25, 1611 (1985)], for measurement of halo currents in the vacuum vessel structure and for measurements of the structure of magnetic field fluctuations near the plasma edge.

Two-terminal conductance fluctuations in the integer quantum Hall regime

NASA Astrophysics Data System (ADS)

Ho, Chang-Ming

1999-09-01

Motivated by recent experiments on the conductance fluctuations in mesoscopic integer quantum Hall systems, we consider a model in which the Coulomb interactions are incorporated into the picture of edge-state transport through a single saddle point. The occupancies of classical localized states in the two-dimensional electron system change due to the interactions between electrons when the gate voltage on top of the device is varied. The electrostatic potential between the localized states and the saddle point causes fluctuations of the saddle-point potential and thus fluctuations of the transmission probability of edge states. This simple model is studied numerically and compared with the observation.

Tunable resonances due to vacancies in graphene nanoribbons

NASA Astrophysics Data System (ADS)

Bahamon, D. A.; Pereira, A. L. C.; Schulz, P. A.

2010-10-01

The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on the effect of the distance to the edges and intervacancies spacing. An involved interplay of vacancies sublattice location and nanoribbon edge termination, together with the spacing parameters lead to a wide conductance resonance line-shape modification. Turning on a magnetic field introduces a new length scale that unveils counterintuitive aspects of the interplay between purely geometric aspects of the system and the underlying atomic scale nature of graphene.

Structural Brain Connectivity Constrains within-a-Day Variability of Direct Functional Connectivity

PubMed Central

Park, Bumhee; Eo, Jinseok; Park, Hae-Jeong

2017-01-01

The idea that structural white matter connectivity constrains functional connectivity (interactions among brain regions) has widely been explored in studies of brain networks; studies have mostly focused on the “average” strength of functional connectivity. The question of how structural connectivity constrains the “variability” of functional connectivity remains unresolved. In this study, we investigated the variability of resting state functional connectivity that was acquired every 3 h within a single day from 12 participants (eight time sessions within a 24-h period, 165 scans per session). Three different types of functional connectivity (functional connectivity based on Pearson correlation, direct functional connectivity based on partial correlation, and the pseudo functional connectivity produced by their difference) were estimated from resting state functional magnetic resonance imaging data along with structural connectivity defined using fiber tractography of diffusion tensor imaging. Those types of functional connectivity were evaluated with regard to properties of structural connectivity (fiber streamline counts and lengths) and types of structural connectivity such as intra-/inter-hemispheric edges and topological edge types in the rich club organization. We observed that the structural connectivity constrained the variability of direct functional connectivity more than pseudo-functional connectivity and that the constraints depended strongly on structural connectivity types. The structural constraints were greater for intra-hemispheric and heterologous inter-hemispheric edges than homologous inter-hemispheric edges, and feeder and local edges than rich club edges in the rich club architecture. While each edge was highly variable, the multivariate patterns of edge involvement, especially the direct functional connectivity patterns among the rich club brain regions, showed low variability over time. This study suggests that structural connectivity not only constrains the strength of functional connectivity, but also the within-a-day variability of functional connectivity and connectivity patterns, particularly the direct functional connectivity among brain regions. PMID:28848416

Monte Carlo Simulations of Electron Energy-Loss Spectra with the Addition of Fine Structure from Density Functional Theory Calculations.

PubMed

Attarian Shandiz, Mohammad; Guinel, Maxime J-F; Ahmadi, Majid; Gauvin, Raynald

2016-02-01

A new approach is presented to introduce the fine structure of core-loss excitations into the electron energy-loss spectra of ionization edges by Monte Carlo simulations based on an optical oscillator model. The optical oscillator strength is refined using the calculated electron energy-loss near-edge structure by density functional theory calculations. This approach can predict the effects of multiple scattering and thickness on the fine structure of ionization edges. In addition, effects of the fitting range for background removal and the integration range under the ionization edge on signal-to-noise ratio are investigated.

Membrane interaction of the N-terminal domain of chemokine receptor CXCR1.

PubMed

Haldar, Sourav; Raghuraman, H; Namani, Trishool; Rajarathnam, Krishna; Chattopadhyay, Amitabha

2010-06-01

The N-terminal domain of chemokine receptors constitutes one of the two critical ligand binding sites, and plays important roles by mediating binding affinity, receptor selectivity, and regulating function. In this work, we monitored the organization and dynamics of a 34-mer peptide of the CXC chemokine receptor 1 (CXCR1) N-terminal domain and its interaction with membranes by utilizing a combination of fluorescence-based approaches and surface pressure measurements. Our results show that the CXCR1 N-domain 34-mer peptide binds vesicles of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) and upon binding, the tryptophan residues of the peptide experience motional restriction and exhibit red edge excitation shift (REES) of 19nm. These results are further supported by increase in fluorescence anisotropy and mean fluorescence lifetime upon membrane binding. These results constitute one of the first reports demonstrating membrane interaction of the N-terminal domain of CXCR1 and gain relevance in the context of the emerging role of cellular membranes in chemokine signaling.

The origin of luminescence from di[4-(4-diphenylaminophenyl)phenyl]sulfone (DAPSF), a blue light emitter: an X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) study.

PubMed

Zhang, Duo; Zhang, Hui; Zhang, Xiaohong; Sham, Tsun-Kong; Hu, Yongfeng; Sun, Xuhui

2016-03-07

The electronic structure and optical properties of di[4-(4-diphenylaminophenyl)phenyl]sulfone (denoted as DAPSF), a highly efficient fluorophor, have been investigated using X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) spectroscopy at excitation energies across the C, N, O K-edges and the sulfur K-edge. The results indicate that the blue luminescence is mainly related to the sulfur functional group.

Investigating the edge state of graphene nanoribbons by a chemical approach: Synthesis and magnetic properties of zigzag-edged nanographene molecules

NASA Astrophysics Data System (ADS)

Konishi, Akihito; Hirao, Yasukazu; Kurata, Hiroyuki; Kubo, Takashi

2013-12-01

The edge state, which is a peculiar magnetic state in zigzag-edged graphene nanoribbons (GNRs) originating from an electron-electron correlation in an edge-localized π-state, has promising applications for magnetic and spintronics devices and has attracted much attention of physicists, chemists, and engineers. For deeper understanding the edge state, precise fabrication of edge structures in GNRs has been highly demanded. We focus on [a.b]periacene, which are polycyclic aromatic hydrocarbons (PAHs) that have zigzag and armchair edges on molecular periphery, as a model compound for the understanding and actually prepare and characterize them. This review summarizes our recent studies on the origin of the edge state by investigating [a.b]periacene in terms of the relationship between the molecular structure and spin-localizing character.

X-Ray Absorption near Edge Structure Spectroscopy of Nanodiamonds from the Allende Meteorite

NASA Technical Reports Server (NTRS)

Flynn, G. J.; Keller, L. P.; Hill, H.; Jacobsen, C.; Wirick, S.

2000-01-01

Carbon X-ray Absorption Near Edge Structure Spectroscopy shows Allende DM nanodiamonds have two pre-edge peaks, consistent with other small diamonds, but fail to show a diamond exciton which is seen in 3.6 nm diamond thin films.

X-ray absorption near-edge spectroscopy in bioinorganic chemistry: Application to M–O2 systems

PubMed Central

Sarangi, Ritimukta

2012-01-01

Metal K-edge X-ray absorption spectroscopy (XAS) has been extensively applied to bioinorganic chemistry to obtain geometric structure information on metalloprotein and biomimetic model complex active sites by analyzing the higher energy extended X-ray absorption fine structure (EXAFS) region of the spectrum. In recent years, focus has been on developing methodologies to interpret the lower energy K-pre-edge and rising-edge regions (XANES) and using it for electronic structure determination in complex bioinorganic systems. In this review, the evolution and progress of 3d-transition metal K-pre-edge and rising-edge methodology development is presented with particular focus on applications to bioinorganic systems. Applications to biomimetic transition metal–O2 intermediates (M = Fe, Co, Ni and Cu) are reviewed, which demonstrate the power of the method as an electronic structure determination technique and its impact in understanding the role of supporting ligands in tuning the electronic configuration of transition metal–O2 systems. PMID:23525635

First principles calculations of optical properties of the armchair SiC nanoribbons with O, F and H termination

NASA Astrophysics Data System (ADS)

Lu, Dao-Bang; Song, Yu-Ling

2018-03-01

Based on density functional theory, we perform first-principles investigations to study the optical properties of the O-, F- and H-terminated SiC nanoribbons with armchair edges (ASiCNRs). By irradiating with an external electromagnetic field, we calculate the dielectric function, reflection spectra, energy loss coefficient and the real part of the conductance. It is demonstrated that the optical constants are sensitive to the low-energy range, different terminal atoms do not make much difference in the shape of the curves of the optical constants for the same-width ASiCNR, and the optical constants of wider nanoribbons usually have higher peaks than that of the narrower ones in low energy range. We hope that our study helps in experimental technology of fabricating high-quality SiC-based nanoscale photoelectric device.

Molybdenum X-Ray Absorption Edges from 200 – 20,000 eV, The Benefits of Soft X-Ray Spectroscopy for Chemical Speciation

PubMed Central

George, Simon J.; Drury, Owen B.; Fu, Juxia; Friedrich, Stephan; Doonan, Christian J.; George, Graham N.; White, Jonathan M.; Young, Charles G.; Cramer, Stephen P.

2009-01-01

We have surveyed the chemical utility of the near-edge structure of molybdenum x-ray absorption edges from the hard x-ray K-edge at 20,000 eV down to the soft x-ray M4,5-edges at ~230 eV. We compared, for each edge, the spectra of two tetrahedral anions, MoO4 and MoS42-. We used three criteria for assessing near-edge structure of each edge: (i) the ratio of the observed chemical shift between MoO42- and MoS42- and the linewidth, (ii) the chemical information from analysis of the near-edge structure and (iii) the ease of measurement using fluorescence detection. Not surprisingly, the K-edge was by far the easiest to measure, but it contained the least information. The L2,3-edges, although harder to measure, had benefits with regard to selection rules and chemical speciation in that they had both a greater chemical shift as well as detailed lineshapes which could be theoretically analyzed in terms of Mo ligand field, symmetry, and covalency. The soft x-ray M2,3-edges were perhaps the least useful, in that they were difficult to measure using fluorescence detection and had very similar information content to the corresponding L2,3-edges. Interestingly, the soft x-ray, low energy (~230 eV) M4,5-edges had greatest potential chemical sensitivity and using our high resolution superconducting tunnel junction (STJ) fluorescence detector they appear to be straightforward to measure. The spectra were amenable to analysis using both the TT-multiplet approach and FEFF. The results using FEFF indicate that the sharp near-edge peaks arise from 3d → 5p transitions, while the broad edge structure has predominately 3d → 4f character. A proper understanding of the dependence of these soft x-ray spectra on ligand field and site geometry is necessary before a complete assessment of the utility of the Mo M4,5-edges can be made. This work includes crystallographic characterization of sodium tetrathiomolybdate. PMID:19041140

Boundaries in ground beetle (Coleoptera: Carabidae) and environmental variables at the edges of forest patches with residential developments

PubMed Central

Davis, Doreen E.

2018-01-01

Background Few studies of edge effects on wildlife objectively identify habitat edges or explore non-linear responses. In this paper, we build on ground beetle (Coleoptera: Carabidae) research that has begun to address these domains by using triangulation wombling to identify boundaries in beetle community structure and composition at the edges of forest patches with residential developments. We hypothesized that edges are characterized by boundaries in environmental variables that correspond to marked discontinuities in vegetation structure between maintained yards and forest. We expected environmental boundaries to be associated with beetle boundaries. Methods We collected beetles and measured environmental variables in 200 m by 200 m sampling grids centered at the edges of three forest patches, each with a rural, suburban, or urban context, in Charlotte, North Carolina, USA. We identified boundaries within each grid at two spatial scales and tested their significance and overlap using boundary statistics and overlap statistics, respectively. We complemented boundary delineation with k-means clustering. Results Boundaries in environmental variables, such as temperature, grass cover, and leaf litter depth, occurred at or near the edges of all three sites, in many cases at both scales. The beetle variables that exhibited the most pronounced boundary structure in relation to edges were total species evenness, generalist abundance, generalist richness, generalist evenness, and Agonum punctiforme abundance. Environmental and beetle boundaries also occurred within forest patches and residential developments, indicating substantial localized spatial variation on either side of edges. Boundaries in beetle and environmental variables that displayed boundary structure at edges significantly overlapped, as did boundaries on either side of edges. The comparison of boundaries and clusters revealed that boundaries formed parts of the borders of patches of similar beetle or environmental condition. Discussion We show that edge effects on ground beetle community structure and composition and environmental variation at the intersection of forest patches and residential developments can be described by boundaries and that these boundaries overlap in space. However, our results also highlight the complexity of edge effects in our system: environmental boundaries were located at or near edges whereas beetle boundaries related to edges could be spatially disjunct from them; boundaries incompletely delineated edges such that only parts of edges were well-described by sharp transitions in beetle and/or environmental variables; and the occurrence of boundaries related to edges was apparently influenced by individual property management practices, site-specific characteristics such as development geometry, and spatial scale. PMID:29333346

Boundaries in ground beetle (Coleoptera: Carabidae) and environmental variables at the edges of forest patches with residential developments.

PubMed

Davis, Doreen E; Gagné, Sara A

2018-01-01

Few studies of edge effects on wildlife objectively identify habitat edges or explore non-linear responses. In this paper, we build on ground beetle (Coleoptera: Carabidae) research that has begun to address these domains by using triangulation wombling to identify boundaries in beetle community structure and composition at the edges of forest patches with residential developments. We hypothesized that edges are characterized by boundaries in environmental variables that correspond to marked discontinuities in vegetation structure between maintained yards and forest. We expected environmental boundaries to be associated with beetle boundaries. We collected beetles and measured environmental variables in 200 m by 200 m sampling grids centered at the edges of three forest patches, each with a rural, suburban, or urban context, in Charlotte, North Carolina, USA. We identified boundaries within each grid at two spatial scales and tested their significance and overlap using boundary statistics and overlap statistics, respectively. We complemented boundary delineation with k -means clustering. Boundaries in environmental variables, such as temperature, grass cover, and leaf litter depth, occurred at or near the edges of all three sites, in many cases at both scales. The beetle variables that exhibited the most pronounced boundary structure in relation to edges were total species evenness, generalist abundance, generalist richness, generalist evenness, and Agonum punctiforme abundance. Environmental and beetle boundaries also occurred within forest patches and residential developments, indicating substantial localized spatial variation on either side of edges. Boundaries in beetle and environmental variables that displayed boundary structure at edges significantly overlapped, as did boundaries on either side of edges. The comparison of boundaries and clusters revealed that boundaries formed parts of the borders of patches of similar beetle or environmental condition. We show that edge effects on ground beetle community structure and composition and environmental variation at the intersection of forest patches and residential developments can be described by boundaries and that these boundaries overlap in space. However, our results also highlight the complexity of edge effects in our system: environmental boundaries were located at or near edges whereas beetle boundaries related to edges could be spatially disjunct from them; boundaries incompletely delineated edges such that only parts of edges were well-described by sharp transitions in beetle and/or environmental variables; and the occurrence of boundaries related to edges was apparently influenced by individual property management practices, site-specific characteristics such as development geometry, and spatial scale.

Functions of the 3′ and 5′ genome RNA regions of members of the genus Flavivirus

PubMed Central

Brinton, Margo A.; Basu, Mausumi

2015-01-01

The positive sense genomes of members of the genus Flavivirus in the family Flaviviridae are ~11 kb nts in length and have a 5′ type I cap but no 3′ poly A. The 5′ and 3′ terminal regions contain short conserved sequences that are proposed to be repeated remnants of an ancient sequence. However, the functions of most of these conserved sequences have not yet been determined. The terminal regions of the genome also contain multiple conserved RNA structures. Functional data for many of these structures has been obtained. Three sets of complementary 3′ and 5′ terminal region sequences, some of which are located in conserved RNA structures, interact to form a panhandle structure that is required for initiation of minus strand RNA synthesis with the 5′ terminal structure functioning as the promoter. How the switch from the terminal RNA structure base pairing to the long distance RNA-RNA interaction is triggered and regulated is not well understood but evidence suggests involvement of a cell protein binding to three sites on the 3′ terminal RNA structures and a cis-acting metastable 3′ RNA element in the 3′ terminal structure. Cell proteins may also be involved in facilitating exponential replication of nascent genomic RNA within replication vesicles at later times of infection cycle. Other conserved RNA structures and/or sequences in the 5′ and 3′ terminal regions have been proposed to regulate genome translation. Additional functions of the 5′ and 3′ terminal sequences have also been reported. PMID:25683510

Crystal Structure and Inhibition Studies of Transglutaminase from Streptomyces mobaraense*

PubMed Central

Yang, Ming-Te; Chang, Cheng-Hsiang; Wang, Jiou Ming; Wu, Tung Kung; Wang, Yu-Kuo; Chang, Chin-Yuan; Li, TienHsiung Thomas

2011-01-01

The crystal structure of the microbial transglutaminase (MTGase) zymogen from Streptomyces mobaraense has been determined at 1.9-Å resolution using the molecular replacement method based on the crystal structure of the mature MTGase. The overall structure of this zymogen is similar to that of the mature form, consisting of a single disk-like domain with a deep active cleft at the edge of the molecule. A major portion of the prosequence (45 additional amino acid residues at the N terminus of the mature transglutaminase) folds into an L-shaped structure, consisting of an extended N-terminal segment linked with a one-turn short helix and a long α-helix. Two key residues in the short helix of the prosequence, Tyr-12 and Tyr-16, are located on top of the catalytic triad (Cys-110, Asp-301, and His-320) to block access of the substrate acyl donors and acceptors. Biochemical characterization of the mature MTGase, using N-α-benzyloxycarbonyl-l-glutaminylglycine as a substrate, revealed apparent Km and kcat/Km values of 52.66 mm and 40.42 mm−1 min−1, respectively. Inhibition studies using the partial prosequence SYAETYR and homologous sequence SQAETYR showed a noncompetitive inhibition mechanism with IC50 values of 0.75 and 0.65 mm, respectively, but no cross-linking product formation. Nevertheless, the prosequence homologous oligopeptide SQAETQR, with Tyr-12 and Tyr-16 each replaced with Gln, exhibited inhibitory activity with the formation of the SQAETQR-monodansylcadaverine fluorophore cross-linking product (SQAETQR-C-DNS). MALDI-TOF tandem MS analysis of SQAETQR-C-DNS revealed molecular masses corresponding to those of NSQAETQC-C-DNS and C-DNS-NQRC sequences, suggesting the incorporation of C-DNS onto the C-terminal Gln residue of the prosequence homologous oligopeptide. These results support the putative functional roles of both Tyr residues in substrate binding and inhibition. PMID:21193394

Role of step edges on the structure formation of α-6T on Ag(441)

NASA Astrophysics Data System (ADS)

Wagner, Thorsten; Fritz, Daniel Roman; Rudolfová, Zdena; Zeppenfeld, Peter

2018-01-01

Controlling the orientation of organic molecules on surfaces is important in order to tune the physical properties of the organic thin films and, thereby, increase the performance of organic thin film devices. Here, we present a scanning tunneling microscopy (STM) and photoelectron emission microscopy (PEEM) study of the deposition of the organic dye pigment α-sexithiophene (α-6T) on the vicinal Ag(441) surface. In the presence of the steps on the Ag(441) surface, the α-6T molecules exclusively align parallel to the step edges oriented along the [1 1 bar0]-direction of the substrate. The STM results further reveal that the adsorption of the α-6T molecules is accompanied by various restructuring of the substrate surface: Initially, the molecules prefer the Ag(551) building blocks of the Ag(441) surface. The Ag(551) termination of the terraces is then changed to a predominately Ag(331) one upon completion of the first α-6T monolayer. When closing the two layer thick wetting layer, the original ratio of Ag(331) and Ag(551) building blocks ( ≈ 1:1) is recovered, but a phase separation into microfacets, which are composed either of Ag(331) or of Ag(551) building blocks, is found.

Disorder-induced half-integer quantized conductance plateau in quantum anomalous Hall insulator-superconductor structures

NASA Astrophysics Data System (ADS)

Huang, Yingyi; Setiawan, F.; Sau, Jay D.

2018-03-01

A weak superconducting proximity effect in the vicinity of the topological transition of a quantum anomalous Hall system has been proposed as a venue to realize a topological superconductor (TSC) with chiral Majorana edge modes (CMEMs). A recent experiment [Science 357, 294 (2017), 10.1126/science.aag2792] claimed to have observed such CMEMs in the form of a half-integer quantized conductance plateau in the two-terminal transport measurement of a quantum anomalous Hall-superconductor junction. Although the presence of a superconducting proximity effect generically splits the quantum Hall transition into two phase transitions with a gapped TSC in between, in this Rapid Communication we propose that a nearly flat conductance plateau, similar to that expected from CMEMs, can also arise from the percolation of quantum Hall edges well before the onset of the TSC or at temperatures much above the TSC gap. Our Rapid Communication, therefore, suggests that, in order to confirm the TSC, it is necessary to supplement the observation of the half-quantized conductance plateau with a hard superconducting gap (which is unlikely for a disordered system) from the conductance measurements or the heat transport measurement of the transport gap. Alternatively, the half-quantized thermal conductance would also serve as a smoking-gun signature of the TSC.

A magnetic phase-transition graphene transistor with tunable spin polarization

NASA Astrophysics Data System (ADS)

Vancsó, Péter; Hagymási, Imre; Tapasztó, Levente

2017-06-01

Graphene nanoribbons (GNRs) have been proposed as potential building blocks for field effect transistor (FET) devices due to their quantum confinement bandgap. Here, we propose a novel GNR device concept, enabling the control of both charge and spin signals, integrated within the simplest three-terminal device configuration. In a conventional FET device, a gate electrode is employed to tune the Fermi level of the system in and out of a static bandgap. By contrast, in the switching mechanism proposed here, the applied gate voltage can dynamically open and close an interaction gap, with only a minor shift of the Fermi level. Furthermore, the strong interplay of the band structure and edge spin configuration in zigzag ribbons enables such transistors to carry spin polarized current without employing an external magnetic field or ferromagnetic contacts. Using an experimentally validated theoretical model, we show that such transistors can switch at low voltages and high speed, and the spin polarization of the current can be tuned from 0% to 50% by using the same back gate electrode. Furthermore, such devices are expected to be robust against edge irregularities and can operate at room temperature. Controlling both charge and spin signal within the simplest FET device configuration could open up new routes in data processing with graphene based devices.

Crystal structures of three 3,4,5-tri-meth-oxy-benzamide-based derivatives.

PubMed

Gomes, Ligia R; Low, John Nicolson; Oliveira, Catarina; Cagide, Fernando; Borges, Fernanda

2016-05-01

The crystal structures of three benzamide derivatives, viz. N-(6-hy-droxy-hex-yl)-3,4,5-tri-meth-oxy-benzamide, C16H25NO5, (1), N-(6-anilinohex-yl)-3,4,5-tri-meth-oxy-benzamide, C22H30N2O4, (2), and N-(6,6-di-eth-oxy-hex-yl)-3,4,5-tri-meth-oxy-benzamide, C20H33NO6, (3), are described. These compounds differ only in the substituent at the end of the hexyl chain and the nature of these substituents determines the differences in hydrogen bonding between the mol-ecules. In each mol-ecule, the m-meth-oxy substituents are virtually coplanar with the benzyl ring, while the p-meth-oxy substituent is almost perpendicular. The carbonyl O atom of the amide rotamer is trans related with the amidic H atom. In each structure, the benzamide N-H donor group and O acceptor atoms link the mol-ecules into C(4) chains. In 1, a terminal -OH group links the mol-ecules into a C(3) chain and the combined effect of the C(4) and C(3) chains is a ribbon made up of screw related R 2 (2)(17) rings in which the ⋯O-H⋯ chain lies in the centre of the ribbon and the tri-meth-oxy-benzyl groups forms the edges. In 2, the combination of the benzamide C(4) chain and the hydrogen bond formed by the terminal N-H group to an O atom of the 4-meth-oxy group link the mol-ecules into a chain of R 2 (2)(17) rings. In 3, the mol-ecules are linked only by C(4) chains.

An Adaptive Spectrally Weighted Structure Tensor Applied to Tensor Anisotropic Nonlinear Diffusion for Hyperspectral Images

ERIC Educational Resources Information Center

Marin Quintero, Maider J.

2013-01-01

The structure tensor for vector valued images is most often defined as the average of the scalar structure tensors in each band. The problem with this definition is the assumption that all bands provide the same amount of edge information giving them the same weights. As a result non-edge pixels can be reinforced and edges can be weakened…

Tunable electronic properties of CdS nanoribbons by edge effects

NASA Astrophysics Data System (ADS)

Ma, Ruican; Zhao, Hui; Wang, Yaping; Ji, Weixiao; Li, Ping

2017-08-01

Based on first-principles calculations, the electronic properties of Cadmium Sulfide nanoribbons (CdSNRs) have been studied with both zigzag (Z-CdSNRs) and armchair shaped edges (A-CdSNRs). For Z-CdSNRs, the structures with both edges decorated by H or F atoms show half-metallic or semiconducting properties, respectively. Only S-dominated edge decorated by H/F atoms, Z-CdSNRs show metallic properties. Only Cd-dominated edge is hydrogenated, Z-CdSNRs can be observed from a metallic to half metallic transition. But instead of fluorinated, the structures show the metallic properties. However, either edge or both edges are hydrogenated or fluorinated, A-CdSNRs exhibit semiconducting properties, and their band gap decreases monotonically with increasing ribbons width (n). When a stress is applied on the half-hydrogenated A-CdSNRs, their band gap displays a steady decrease trend. Moreover, A-CdSNRs are more stable than Z-CdSNRs, while the hydrogenated systems are more stable than fluorinated systems. The results show that different structures of CdSNRs decorated with the different edges can play different nature as semiconducting - half-metallic - metallic properties. The research has important theoretical significance for the electronic design and assembly of CdSNRs structures, and provides a new perspective for the potential application of CdSNRs in nanoelectronics.

Structure of the Tropomyosin Overlap Complex from Chicken Smooth Muscle: Insight into the Diversity of N-Terminal Recognition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frye, Jeremiah; Klenchin, Vadim A.; Rayment, Ivan

Tropomyosin is a stereotypical {alpha}-helical coiled coil that polymerizes to form a filamentous macromolecular assembly that lies on the surface of F-actin. The interaction between the C-terminal and N-terminal segments on adjacent molecules is known as the overlap region. We report here two X-ray structures of the chicken smooth muscle tropomyosin overlap complex. A novel approach was used to stabilize the C-terminal and N-terminal fragments. Globular domains from both the human DNA ligase binding protein XRCC4 and bacteriophage {phi}29 scaffolding protein Gp7 were fused to 37 and 28 C-terminal amino acid residues of tropomyosin, respectively, whereas the 29 N-terminal aminomore » acids of tropomyosin were fused to the C-terminal helix bundle of microtubule binding protein EB1. The structures of both the XRCC4 and Gp7 fusion proteins complexed with the N-terminal EB1 fusion contain a very similar helix bundle in the overlap region that encompasses {approx}15 residues. The C-terminal coiled coil opens to allow formation of the helix bundle, which is stabilized by hydrophobic interactions. These structures are similar to that observed in the NMR structure of the rat skeletal overlap complex [Greenfield, N. J., et al. (2006) J. Mol. Biol. 364, 80-96]. The interactions between the N- and C-terminal coiled coils of smooth muscle tropomyosin show significant curvature, which differs somewhat between the two structures and implies flexibility in the overlap complex, at least in solution. This is likely an important attribute that allows tropomyosin to assemble around the actin filaments. These structures provide a molecular explanation for the role of N-acetylation in the assembly of native tropomyosin.« less

C-terminal domains of bacterial proteases: structure, function and the biotechnological applications.

PubMed

Huang, J; Wu, C; Liu, D; Yang, X; Wu, R; Zhang, J; Ma, C; He, H

2017-01-01

C-terminal domains widely exist in the C-terminal region of multidomain proteases. As a β-sandwich domain in multidomain protease, the C-terminal domain plays an important role in proteolysis including regulation of the secretory process, anchoring and swelling the substrate molecule, presenting as an inhibitor for the preprotease and adapting the protein structural flexibility and stability. In this review, the diversity, structural characteristics and biological function of C-terminal protease domains are described. Furthermore, the application prospects of C-terminal domains, including polycystic kidney disease, prepeptidase C-terminal and collagen-binding domain, in the area of medicine and biological artificial materials are also discussed. © 2016 The Society for Applied Microbiology.

Band positions of Rutile surfaces and the possibility of water splitting

NASA Astrophysics Data System (ADS)

Esch, Tobit R.; Bredow, Thomas

2017-11-01

It is well known that both the band gap and the band edge positions of oxide semiconductors are important for the photocatalytic water splitting. In this study, we show that different surface terminations of the same crystalline solid lead to considerable variations of the band gaps and band edges. As an example, we investigate the low-index surfaces of rutile TiO2. A series of hybrid methods based on the PBE exchange-correlation functional, PBE0, HSE06 and HISS, are employed to study the effect of long-range exchange on the electronic properties. In aqueous solution, the oxide particles employed in photocatalysis are fully covered with water molecules. We therefore study the influence of molecularly and dissociatively adsorbed water on the band positions. It is found that water adsorption leads to significant shifts of the band edge positions due to changes of the electrostatic potential at the surface atom positions.

Theory of Magnetic Edge States in Chiral Graphene Nanoribbons

NASA Astrophysics Data System (ADS)

Capaz, Rodrigo; Yazyev, Oleg; Louie, Steven

2011-03-01

Using a model Hamiltonian approach including electron Coulomb interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is an intrinsic feature of any smooth graphene nanoribbons with chiral edges, and discover a number of structure-property relations. Specifically, we describe how the edge-state energy gap, zone-boundary edge-state energy splitting, and magnetic moment per edge length depend on the nanoribbon width and chiral angle. The role of environmental screening effects is also studied. Our results address a recent experimental observation of signatures of magnetic ordering at smooth edges of chiral graphene nanoribbons and provide an avenue towards tuning their properties via the structural and environmental degrees of freedom. This work was supported by National Science Foundation Grant No. DMR10-1006184, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and the ONR MURI program. RBC acknowledges financial support from Brazilian agencies CNPq, FAPERJ and INCT-Nanomateriais de Carbono.

Atomic multiplets at the L2,3 edge of 3d transition metals and the ligand K edge in x-ray absorption spectroscopy of ionic systems

NASA Astrophysics Data System (ADS)

Olalde-Velasco, P.; Jiménez-Mier, J.; Denlinger, J.; Yang, W.-L.

2013-06-01

Experimental X-ray absorption spectra at the fluorine K and transition metal L2,3 absorption edges of the MF2 (M=Cr-Ni) family are presented. Ligand field calculations in D4h symmetry show very good agreement with the transition metal L2,3 XAS spectra. To successfully explain nominal Cr2+ L2,3 XAS spectrum in CrF2, the inclusion of Cr+ and Cr3+ was needed implying the presence of a disproportionation reaction. The multiplet calculations were then modified to remove the structure of the 2p hole in the calculated M 2p→3d absorption spectra. These results for the 3dn+1 states are in one to one correspondence with the leading edge structures found at the fluorine K edge. A direct comparison with the metal L2,3 edges also indicates that there is evidence of the metal multiplet at the fluorine K pre-edge structures.

Structural interpretation from horizontal seismic sections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, A.R.

1983-03-01

The interpreter of a 3D survey must use a data volume. Horizontal slices through a data volume, called Seiscrop sections, have unique properties and structural interpretation from them is fast, convenient, and effective. An event on a Seiscrop section displays local strike, a property which permits direct contouring of a structural surface without any timing and posting. The width of an event on a Seiscrop section is a composition of the frequency of the data and the structural dip. Event terminations indicate faults or other discontinuities when they are transverse to structural strike. Faults parallel to structural strike are muchmore » less evident on a single Seiscrop section but become apparent with the relative movement of events from section to section. In practical mapping, we normally contour one fault block before proceeding to the next with the correlation between them being established from the vertical sections. With dual polarity variable area displays, the interpreter can perceive five amplitude levels and normally picks the edge of a trough. With color amplitude Seiscrop sections, it is possible to pick on the crest of any event. With color phase sections the interpreter can pick at any arbitrary but consistent point on the seismic waveform. Subtle structural features are commonly revealed on horizontal sections which may never have been noticed if working from vertical sections alone.« less

Electronic structure of transition metal-cysteine complexes from X-ray absorption spectroscopy.

PubMed

Leung, Bonnie O; Jalilehvand, Farideh; Szilagyi, Robert K

2008-04-17

The electronic structures of HgII, NiII, CrIII, and MoV complexes with cysteine were investigated by sulfur K-edge X-ray absorption near-edge structure (XANES) spectroscopy and density functional theory. The covalency in the metal-sulfur bond was determined by analyzing the intensities of the electric-dipole allowed pre-edge features appearing in the XANES spectra below the ionization threshold. Because of the well-defined structures of the selected cysteine complexes, the current work provides a reference set for further sulfur K-edge XAS studies of bioinorganic active sites with transition metal-sulfur bonds from cysteine residues as well as more complex coordination compounds with thiolate ligands.

Competitive folding of anti-terminator/terminator hairpins monitored by single molecule FRET.

PubMed

Clerte, Caroline; Declerck, Nathalie; Margeat, Emmanuel

2013-02-01

The control of transcription termination by RNA-binding proteins that modulate RNA-structures is an important regulatory mechanism in bacteria. LicT and SacY from Bacillus subtilis prevent the premature arrest of transcription by binding to an anti-terminator RNA hairpin that overlaps an intrinsic terminator located in the 5'-mRNA leader region of the gene to be regulated. In order to investigate the molecular determinants of this anti-termination/termination balance, we have developed a fluorescence-based nucleic acids system that mimics the competition between the LicT or SacY anti-terminator targets and the overlapping terminators. Using Förster Resonance Energy Transfer on single diffusing RNA hairpins, we could monitor directly their opening or closing state, and thus investigate the effects on this equilibrium of the binding of anti-termination proteins or terminator-mimicking oligonucleotides. We show that the anti-terminator hairpins adopt spontaneously a closed structure and that their structural dynamics is mainly governed by the length of their basal stem. The induced stability of the anti-terminator hairpins determines both the affinity and specificity of the anti-termination protein binding. Finally, we show that stabilization of the anti-terminator hairpin, by an extended basal stem or anti-termination protein binding can efficiently counteract the competing effect of the terminator-mimic.

NetFlow Dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Corbet Jr., Thomas F; Beyeler, Walter E; Vanwestrienen, Dirk

NetFlow Dynamics is a web-accessible analysis environment for simulating dynamic flows of materials on model networks. Performing a simulation requires both the NetFlow Dynamics application and a network model which is a description of the structure of the nodes and edges of a network including the flow capacity of each edge and the storage capacity of each node, and the sources and sinks of the material flowing on the network. NetFlow Dynamics consists of databases for storing network models, algorithms to calculate flows on networks, and a GIS-based graphical interface for performing simulations and viewing simulation results. Simulated flows aremore » dynamic in the sense that flows on each edge of the network and inventories at each node change with time and can be out of equilibrium with boundary conditions. Any number of network models could be simulated using Net Flow Dynamics. To date, the models simulated have been models of petroleum infrastructure. The main model has been the National Transportation Fuels Model (NTFM), a network of U.S. oil fields, transmission pipelines, rail lines, refineries, tank farms, and distribution terminals. NetFlow Dynamics supports two different flow algorithms, the Gradient Flow algorithm and the Inventory Control algorithm, that were developed specifically for the NetFlow Dynamics application. The intent is to add additional algorithms in the future as needed. The ability to select from multiple algorithms is desirable because a single algorithm never covers all analysis needs. The current algorithms use a demand-driven capacity-constrained formulation which means that the algorithms strive to use all available capacity and stored inventory to meet desired flows to sinks, subject to the capacity constraints of each network component. The current flow algorithms are best suited for problems in which a material flows on a capacity-constrained network representing a supply chain in which the material supplied can be stored at each node of the network. In the petroleum models, the flowing materials are crude oil and refined products that can be stored at tank farms, refineries, or terminals (i.e. the nodes of the network). Examples of other network models that could be simulated are currency flowing in a financial network, agricultural products moving to market, or natural gas flowing on a pipeline network.« less

Nanoribbons: From fundamentals to state-of-the-art applications

NASA Astrophysics Data System (ADS)

Yagmurcukardes, M.; Peeters, F. M.; Senger, R. T.; Sahin, H.

2016-12-01

Atomically thin nanoribbons (NRs) have been at the forefront of materials science and nanoelectronics in recent years. State-of-the-art research on nanoscale materials has revealed that electronic, magnetic, phononic, and optical properties may differ dramatically when their one-dimensional forms are synthesized. The present article aims to review the recent advances in synthesis techniques and theoretical studies on NRs. The structure of the review is organized as follows: After a brief introduction to low dimensional materials, we review different experimental techniques for the synthesis of graphene nanoribbons (GNRs) with their advantages and disadvantages. In addition, theoretical investigations on width and edge-shape-dependent electronic and magnetic properties, functionalization effects, and quantum transport properties of GNRs are reviewed. We then devote time to the NRs of the transition metal dichalcogenides (TMDs) family. First, various synthesis techniques, E-field-tunable electronic and magnetic properties, and edge-dependent thermoelectric performance of NRs of MoS2 and WS2 are discussed. Then, strongly anisotropic properties, growth-dependent morphology, and the weakly width-dependent bandgap of ReS2 NRs are summarized. Next we discuss TMDs having a T-phase morphology such as TiSe2 and stable single layer NRs of mono-chalcogenides. Strong edge-type dependence on characteristics of GaS NRs, width-dependent Seebeck coefficient of SnSe NRs, and experimental analysis on the stability of ZnSe NRs are reviewed. We then focus on the most recently emerging NRs belonging to the class of transition metal trichalcogenides which provide ultra-high electron mobility and highly anisotropic quasi-1D properties. In addition, width-, edge-shape-, and functionalization-dependent electronic and mechanical properties of blackphosphorus, a monoatomic anisotropic material, and studies on NRs of group IV elements (silicene, germanene, and stanene) are reviewed. Observation of substrate-independent quantum well states, edge and width dependent properties, the topological phase of silicene NRs are reviewed. In addition, H2 concentration-dependent transport properties and anisotropic dielectric function of GeNRs and electric field and strain sensitive I-V characteristics of SnNRs are reviewed. We review both experimental and theoretical studies on the NRs of group III-V compounds. While defect and N-termination dependent conductance are highlighted for boron nitride NRs, aluminum nitride NRs are of importance due to their dangling bond, electric field, and strain dependent electronic and magnetic properties. Finally, superlattice structure of NRs of GaN/AlN, Si/Ge, G/BN, and MoS2/WS2 is reviewed.

Modifications to intermittent turbulent structures by sheared flow in LAPD

NASA Astrophysics Data System (ADS)

Rossi, Giovanni; Schaffner, David; Carter, Troy; Guice, Danny; Bengtson, Roger

2012-10-01

Turbulence in the edge of the Large Plasma Device is generally observed to be intermittent with the production of filamentary structures. Density-enhancement events (called ``blobs'') are localized to the region radially outside the edge of the cathode source while density-depletion events (called ``holes'') are localized to the region radially inward. A flow-shear layer is also observed to be localized to this same spatial region. Control over the edge flow and shear in LAPD is now possible using a biasable limiter. Edge intermittency is observed to be strongly affected by variations in the edge flow, with intermittency (as measured by skewness of the fluctuation amplitude PDF) increasing with edge flow (in either direction) and reaching a minimum when spontaneous edge flow is zeroed-out using biasing. This trend is counter to the observed changes in turbulent particle flux, which peaks at low flow/shear. Two-dimensional cross-conditional averaging confirms the blobs to be detached filamentary structures with a clear dipolar potential structure and a geometry also dependent on the magnitude of sheared flow. More detailed measurements are made to connect the occurrence of these blobs to observed flow-driven coherent modes and their contribution to radial particle flux.

Invaginating Structures in Mammalian Synapses

PubMed Central

Petralia, Ronald S.; Wang, Ya-Xian; Mattson, Mark P.; Yao, Pamela J.

2018-01-01

Invaginating structures at chemical synapses in the mammalian nervous system exist in presynaptic axon terminals, postsynaptic spines or dendrites, and glial processes. These invaginating structures can be divided into three categories. The first category includes slender protrusions invaginating into axonal terminals, postsynaptic spines, or glial processes. Best known examples of this category are spinules extending from postsynaptic spines into presynaptic terminals in forebrain synapses. Another example of this category are protrusions from inhibitory presynaptic terminals invaginating into postsynaptic neuronal somas. Regardless of the direction and location, the invaginating structures of the first category do not have synaptic active zones within the invagination. The second category includes postsynaptic spines invaginating into presynaptic terminals, whereas the third category includes presynaptic terminals invaginating into postsynaptic spines or dendrites. Unlike the first category, the second and third categories have active zones within the invagination. An example of the second category are mossy terminal synapses of the hippocampal CA3 region, in which enlarged spine-like structures invaginate partly or entirely into mossy terminals. An example of the third category is the neuromuscular junction (NMJ) where substantial invaginations of the presynaptic terminals invaginate into the muscle fibers. In the retina, rod and cone synapses have invaginating processes from horizontal and bipolar cells. Because horizontal cells act both as post and presynaptic structures, their invaginating processes represent both the second and third category. These invaginating structures likely play broad yet specialized roles in modulating neuronal cell signaling. PMID:29674962

Lightning protection of the Fokker 100 CFRP rudder

NASA Technical Reports Server (NTRS)

Ruiter, A. J. M.

1991-01-01

The construction of the structural parts of the Fokker 100 CFRP rudder is described with respect to the requirements for electrical bonding and lightning protection. Furthermore, the philosophy for the selection of a consumable trailing edge is given. A description of possible alternative designs for trailing edges and their advantages and disadvantages with respect to damage after lightning impact will also be reviewed. An overview of the tests performed on test samples and the rudder construction are presented and discussed. The effectiveness of both the selected structural provisions and trailing edge are described (and proven) by reporting the results of the simulated lightning tests performed. Proof is given that the trailing edge construction and its bonding through the structural parts of the rudder to the main aircraft structure is a solution which results in minor damage to the rudder after lightning impact. Furthermore, it is shown that the selected trailing edge construction is less favored by the structural designers due to the weight penalty.

Superconducting cable connections and methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

van der Laan, Daniel Cornelis

2017-09-05

Superconducting cable connector structures include a terminal body (or other structure) onto which the tapes from the superconducting cable extend. The terminal body (or other structure) has a diameter that is sufficiently larger than the diameter of the former of the superconducting cable, so that the tapes spread out over the outer surface of the terminal body. As a result, gaps are formed between tapes on the terminal body (or other structure). Those gaps are filled with solder (or other suitable flowable conductive material), to provide a current path of relatively high conductivity in the radial direction. Other connector structuresmore » omit the terminal body.« less

Generation algorithm of craniofacial structure contour in cephalometric images

NASA Astrophysics Data System (ADS)

Mondal, Tanmoy; Jain, Ashish; Sardana, H. K.

2010-02-01

Anatomical structure tracing on cephalograms is a significant way to obtain cephalometric analysis. Computerized cephalometric analysis involves both manual and automatic approaches. The manual approach is limited in accuracy and repeatability. In this paper we have attempted to develop and test a novel method for automatic localization of craniofacial structure based on the detected edges on the region of interest. According to the grey scale feature at the different region of the cephalometric images, an algorithm for obtaining tissue contour is put forward. Using edge detection with specific threshold an improved bidirectional contour tracing approach is proposed by an interactive selection of the starting edge pixels, the tracking process searches repetitively for an edge pixel at the neighborhood of previously searched edge pixel to segment images, and then craniofacial structures are obtained. The effectiveness of the algorithm is demonstrated by the preliminary experimental results obtained with the proposed method.

Electronic Structure of Ytterbium-Doped Strontium Fluoroapatite: Photoemission and Photoabsorption Investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, Art J.; Van Buuren, Tony W.; Bostedt, C

X-ray photoemission and x-ray photoabsorption were used to study the composition and the electronic structure of ytterbium-doped strontium fluoroapatite (Yb:S-FAP). High resolution photoemission measurements on the valence band electronic structure and Sr 3d, P 2p and 2s, Yb 4d and 4p, F 1s and O 1s core lines were used to evaluate the surface and near surface chemistry of this fluoroapatite. Element specific density of unoccupied electronic states in Yb:S-FAP were probed by x-ray absorption spectroscopy (XAS) at the Yb 4d (N4,5-edge), Sr 3d (M4,5-edge), P 2p (L2,3-edge), F 1s and O 1s (K-edges) absorption edges. These results provide themore » first measurements of the electronic structure and surface chemistry of this material.« less

Hyper thin 3D edge measurement of honeycomb core structures based on the triangular camera-projector layout & phase-based stereo matching.

PubMed

Jiang, Hongzhi; Zhao, Huijie; Li, Xudong; Quan, Chenggen

2016-03-07

We propose a novel hyper thin 3D edge measurement technique to measure the profile of 3D outer envelope of honeycomb core structures. The width of the edges of the honeycomb core is less than 0.1 mm. We introduce a triangular layout design consisting of two cameras and one projector to measure hyper thin 3D edges and eliminate data interference from the walls. A phase-shifting algorithm and the multi-frequency heterodyne phase-unwrapping principle are applied for phase retrievals on edges. A new stereo matching method based on phase mapping and epipolar constraint is presented to solve correspondence searching on the edges and remove false matches resulting in 3D outliers. Experimental results demonstrate the effectiveness of the proposed method for measuring the 3D profile of honeycomb core structures.

Local Thermometry of Neutral Modes on the Quantum Hall Edge

NASA Astrophysics Data System (ADS)

Hart, Sean; Venkatachalam, Vivek; Pfeiffer, Loren; West, Ken; Yacoby, Amir

2012-02-01

A system of electrons in two dimensions and strong magnetic fields can be tuned to create a gapped 2D system with one dimensional channels along the edge. Interactions among these edge modes can lead to independent transport of charge and heat, even in opposite directions. Measuring the chirality and transport properties of these charge and heat modes can reveal otherwise hidden structure in the edge. Here, we heat the outer edge of such a quantum Hall system using a quantum point contact. By placing quantum dots upstream and downstream along the edge of the heater, we can measure both the chemical potential and temperature of that edge to study charge and heat transport, respectively. We find that charge is transported exclusively downstream, but heat can be transported upstream when the edge has additional structure related to fractional quantum Hall physics.

Structural studies of MFE-1: the 1.9 A crystal structure of the dehydrogenase part of rat peroxisomal MFE-1.

PubMed

Taskinen, Jukka P; Kiema, Tiila R; Hiltunen, J Kalervo; Wierenga, Rik K

2006-01-27

The 1.9 A structure of the C-terminal dehydrogenase part of the rat peroxisomal monomeric multifunctional enzyme type 1 (MFE-1) has been determined. In this construct (residues 260-722 and referred to as MFE1-DH) the N-terminal hydratase part of MFE-1 has been deleted. The structure of MFE1-DH shows that it consists of an N-terminal helix, followed by a Rossmann-fold domain (domain C), followed by two tightly associated helical domains (domains D and E), which have similar topology. The structure of MFE1-DH is compared with the two known homologous structures: human mitochondrial 3-hydroxyacyl-CoA dehydrogenase (HAD; sequence identity is 33%) (which is dimeric and monofunctional) and with the dimeric multifunctional alpha-chain (alphaFOM; sequence identity is 28%) of the bacterial fatty acid beta-oxidation alpha2beta2-multienzyme complex. Like MFE-1, alphaFOM has an N-terminal hydratase part and a C-terminal dehydrogenase part, and the structure comparisons show that the N-terminal helix of MFE1-DH corresponds to the alphaFOM linker helix, located between its hydratase and dehydrogenase part. It is also shown that this helix corresponds to the C-terminal helix-10 of the hydratase/isomerase superfamily, suggesting that functionally it belongs to the N-terminal hydratase part of MFE-1.

[The value of horizontal discrepancy on the subgingival position of the tooth crown].

PubMed

Redzepagić, S

1997-01-01

Marginal adaptation of the crown edge has been considered as primary and significant factor of prevention of secondary caries and periodontal disease on carryig tooth. There has been a clear dependence between hunting the periodontal tissue and the quality of edge closing of the crown. If we position subgingivaly the crown which clinically shows a good adoptiveness marginally and at the same time we position marginal crease in the ginguival sucus that should rush the accumulation of the plaque. The bacteries in the plaque would cause the inflammation of ginguive. The end of the crown edge in gingival sucus would cause chronic inflammation at ginguival tissue. The existence of transit zone that includes the crown edge, prepared tooth and dental cement became important if the crown edge has been positioned subgingivaly. If the crown edge ends in the ginguival sucus, the tooth meat is constantly being irritated that results with different degrees of inflammations. In many cases it causes ginguival dislocation. The possibility of clinical control of marginal positioning of subgingivaly positioned crown edge on demarcation line does not exist in terminal phase of cementing. The crown cement can be substratum of bacterial receptiveness and the plaque accumulation in the ginguival sucus. The procedure of cementing is an important cause of incomplete edge closing of the crown on the demarcation line. The form of demarcation line determine the form and the width of crown. They are favorising and degrading the level of marginal adaptations. The existing of horizontal discrepancy at the relation of based tooth--the crown edge is unavoidable. The question is if the amount of this discrepancy fits the assumed biological optimum.

Structural Basis for Recognition and Sequestration of UUUOH 3 ' Temini of Nascent RNA Polymerase III Transcripts by La, a Rheumatic Disease Autoantigen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teplova,M.; Yuan, Y.; Phan, A.

2006-01-01

The nuclear phosphoprotein La was identified as an autoantigen in patients with systemic lupus erythematosus and Sjogren's syndrome. La binds to and protects the UUUOH 3' terminii of nascent RNA polymerase III transcripts from exonuclease digestion. We report the 1.85 Angstroms crystal structure of the N-terminal domain of human La, consisting of La and RRM1 motifs, bound to r(U1-G2-C3-U4-G5-U6-U7-U8-U9OH). The U7-U8-U9OH 3' end, in a splayed-apart orientation, is sequestered within a basic and aromatic amino acid-lined cleft between the La and RRM1 motifs. The specificity-determining U8 residue bridges both motifs, in part through unprecedented targeting of the {beta} sheet edge,more » rather than the anticipated face, of the RRM1 motif. Our structural observations, supported by mutation studies of both La and RNA components, illustrate the principles behind RNA sequestration by a rheumatic disease autoantigen, whereby the UUUOH 3' ends of nascent RNA transcripts are protected during downstream processing and maturation events.« less

Structural basis for recognition and sequestration of UUU(OH) 3' temini of nascent RNA polymerase III transcripts by La, a rheumatic disease autoantigen.

PubMed

Teplova, Marianna; Yuan, Yu-Ren; Phan, Anh Tuân; Malinina, Lucy; Ilin, Serge; Teplov, Alexei; Patel, Dinshaw J

2006-01-06

The nuclear phosphoprotein La was identified as an autoantigen in patients with systemic lupus erythematosus and Sjogren's syndrome. La binds to and protects the UUU(OH) 3' terminii of nascent RNA polymerase III transcripts from exonuclease digestion. We report the 1.85 angstroms crystal structure of the N-terminal domain of human La, consisting of La and RRM1 motifs, bound to r(U1-G2-C3-U4-G5-U6-U7-U8-U9OH). The U7-U8-U9OH 3' end, in a splayed-apart orientation, is sequestered within a basic and aromatic amino acid-lined cleft between the La and RRM1 motifs. The specificity-determining U8 residue bridges both motifs, in part through unprecedented targeting of the beta sheet edge, rather than the anticipated face, of the RRM1 motif. Our structural observations, supported by mutation studies of both La and RNA components, illustrate the principles behind RNA sequestration by a rheumatic disease autoantigen, whereby the UUU(OH) 3' ends of nascent RNA transcripts are protected during downstream processing and maturation events.

49 CFR 1242.27 - Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals, motor...

Code of Federal Regulations, 2014 CFR

2014-10-01

... 49 Transportation 9 2014-10-01 2014-10-01 false Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals, motor vehicle loading and distribution facilities, and... Structures § 1242.27 Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals...

49 CFR 1242.27 - Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals, motor...

Code of Federal Regulations, 2013 CFR

2013-10-01

... 49 Transportation 9 2013-10-01 2013-10-01 false Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals, motor vehicle loading and distribution facilities, and... Structures § 1242.27 Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals...

49 CFR 1242.27 - Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals, motor...

Code of Federal Regulations, 2012 CFR

2012-10-01

... 49 Transportation 9 2012-10-01 2012-10-01 false Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals, motor vehicle loading and distribution facilities, and... Structures § 1242.27 Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals...

49 CFR 1242.27 - Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals, motor...

Code of Federal Regulations, 2011 CFR

2011-10-01

... 49 Transportation 9 2011-10-01 2011-10-01 false Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals, motor vehicle loading and distribution facilities, and... Structures § 1242.27 Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals...

49 CFR 1242.27 - Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals, motor...

Code of Federal Regulations, 2010 CFR

2010-10-01

... 49 Transportation 9 2010-10-01 2010-10-01 false Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals, motor vehicle loading and distribution facilities, and... Structures § 1242.27 Coal marine terminals, ore marine terminals, TOFC/COFC terminals, other marine terminals...

High-resolution electron microscopy and electron energy-loss spectroscopy of giant palladium clusters

NASA Astrophysics Data System (ADS)

Oleshko, V.; Volkov, V.; Gijbels, R.; Jacob, W.; Vargaftik, M.; Moiseev, I.; van Tendeloo, G.

1995-12-01

Combined structural and chemical characterization of cationic polynuclear palladium coordination compounds Pd561L60(OAc)180, where L=1,10-phenantroline or 2,2'-bipyridine has been carried out by high-resolution electron microscopy (HREM) and analytical electron microscopy methods including electron energy-loss spectroscopy (EELS), zero-loss electron spectroscopic imaging, and energy-dispersive X-ray spectroscopy (EDX). The cell structure of the cluster matter with almost completely uniform metal core size distributions centered around 2.3 ±0.5 nm was observed. Zero-loss energy filtering allowed to improve the image contrast and resolution. HREM images showed that most of the palladium clusters had a cubo-octahedral shape. Some of them had a distorted icosahedron structure exhibiting multiple twinning. The selected-area electron diffraction patterns confirmed the face centered cubic structure with lattice parameter close to that of metallic palladium. The energy-loss spectra of the populations of clusters contained several bands, which could be assigned to the delayed Pd M4, 5-edge at 362 eV, the Pd M3-edge at 533 eV and the Pd M2-edge at 561 eV, the NK-edge at about 400 eV, the O K-edge at 532 eV overlapping with the Pd M3-edge and the carbon C K-edge at 284 eV. Background subtraction was applied to reveal the exact positions and fine structure of low intensity elemental peaks. EELS evaluations have been confirmed by EDX. The recorded series of the Pd M-edges and the N K-edge in the spectra of the giant palladium clusters obviously were related to Pd-Pd- and Pd-ligand bonding.

Contributions of the N- and C-terminal helical segments to the lipid-free structure and lipid interaction of apolipoprotein A-I.

PubMed

Tanaka, Masafumi; Dhanasekaran, Padmaja; Nguyen, David; Ohta, Shinya; Lund-Katz, Sissel; Phillips, Michael C; Saito, Hiroyuki

2006-08-29

The tertiary structure of lipid-free apolipoprotein (apo) A-I in the monomeric state comprises two domains: a N-terminal alpha-helix bundle and a less organized C-terminal domain. This study examined how the N- and C-terminal segments of apoA-I (residues 1-43 and 223-243), which contain the most hydrophobic regions in the molecule and are located in opposite structural domains, contribute to the lipid-free conformation and lipid interaction. Measurements of circular dichroism in conjunction with tryptophan and 8-anilino-1-naphthalenesulfonic acid fluorescence data demonstrated that single (L230P) or triple (L230P/L233P/Y236P) proline insertions into the C-terminal alpha helix disrupted the organization of the C-terminal domain without affecting the stability of the N-terminal helix bundle. In contrast, proline insertion into the N terminus (Y18P) disrupted the bundle structure in the N-terminal domain, indicating that the alpha-helical segment in this region is part of the helix bundle. Calorimetric and gel-filtration measurements showed that disruption of the C-terminal alpha helix significantly reduced the enthalpy and free energy of binding of apoA-I to lipids, whereas disruption of the N-terminal alpha helix had only a small effect on lipid binding. Significantly, the presence of the Y18P mutation offset the negative effects of disruption/removal of the C-terminal helical domain on lipid binding, suggesting that the alpha helix around Y18 concealed a potential lipid-binding region in the N-terminal domain, which was exposed by the disruption of the helix-bundle structure. When these results are taken together, they indicate that the alpha-helical segment in the N terminus of apoA-I modulates the lipid-free structure and lipid interaction in concert with the C-terminal domain.

Structure-driven turbulence in ``No man's Land''

NASA Astrophysics Data System (ADS)

Kosuga, Yusuke; Diamond, Patrick

2012-10-01

Structures are often observed in many physical systems. In tokamaks, for example, such structures are observed as density blobs and holes. Such density blobs and holes are generated at the tokamak edge, where strong gradient perturbations generate an outgoing blob and an incoming hole. Since density holes can propagate from the edge to the core, such structures may play an important role in understanding the phenomenology of the edge-core coupling region, so-called ``No Man's Land.'' In this work, we discuss the dynamics of such structures in real space. In particular, we consider the dynamics of density blobs and holes in the Hasegawa-Wakatani system. Specific questions addressed here include: i) how these structures extract free energy and enhance transport? how different is the relaxation driven by such structures from that driven by linear drift waves? ii) how these structures interact with shear flows? In particular, how these structures interact with a shear layer, which can absorb structures resonantly? iii) how can we calculate the coupled evolution of structures and shear flows? Implications for edge-core coupling problem are discussed as well.

Identification of a conserved branched RNA structure that functions as a factor-independent terminator.

PubMed

Johnson, Christopher M; Chen, Yuqing; Lee, Heejin; Ke, Ailong; Weaver, Keith E; Dunny, Gary M

2014-03-04

Anti-Q is a small RNA encoded on pCF10, an antibiotic resistance plasmid of Enterococcus faecalis, which negatively regulates conjugation of the plasmid. In this study we sought to understand how Anti-Q is generated relative to larger transcripts of the same operon. We found that Anti-Q folds into a branched structure that functions as a factor-independent terminator. In vitro and in vivo, termination is dependent on the integrity of this structure as well as the presence of a 3' polyuridine tract, but is not dependent on other downstream sequences. In vitro, terminated transcripts are released from RNA polymerase after synthesis. In vivo, a mutant with reduced termination efficiency demonstrated loss of tight control of conjugation function. A search of bacterial genomes revealed the presence of sequences that encode Anti-Q-like RNA structures. In vitro and in vivo experiments demonstrated that one of these functions as a terminator. This work reveals a previously unappreciated flexibility in the structure of factor-independent terminators and identifies a mechanism for generation of functional small RNAs; it should also inform annotation of bacterial sequence features, such as terminators, functional sRNAs, and operons.

Identification of a conserved branched RNA structure that functions as a factor-independent terminator

PubMed Central

Johnson, Christopher M.; Chen, Yuqing; Lee, Heejin; Ke, Ailong; Weaver, Keith E.; Dunny, Gary M.

2014-01-01

Anti-Q is a small RNA encoded on pCF10, an antibiotic resistance plasmid of Enterococcus faecalis, which negatively regulates conjugation of the plasmid. In this study we sought to understand how Anti-Q is generated relative to larger transcripts of the same operon. We found that Anti-Q folds into a branched structure that functions as a factor-independent terminator. In vitro and in vivo, termination is dependent on the integrity of this structure as well as the presence of a 3′ polyuridine tract, but is not dependent on other downstream sequences. In vitro, terminated transcripts are released from RNA polymerase after synthesis. In vivo, a mutant with reduced termination efficiency demonstrated loss of tight control of conjugation function. A search of bacterial genomes revealed the presence of sequences that encode Anti-Q–like RNA structures. In vitro and in vivo experiments demonstrated that one of these functions as a terminator. This work reveals a previously unappreciated flexibility in the structure of factor-independent terminators and identifies a mechanism for generation of functional small RNAs; it should also inform annotation of bacterial sequence features, such as terminators, functional sRNAs, and operons. PMID:24550474

47 CFR 51.709 - Rate structure for transport and termination.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 47 Telecommunication 3 2013-10-01 2013-10-01 false Rate structure for transport and termination. 51.709 Section 51.709 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER... Telecommunications Traffic § 51.709 Rate structure for transport and termination. (a) In state proceedings, where a...

A Factor Affecting Transonic Leading-edge Flow Separation

NASA Technical Reports Server (NTRS)

Wood, George P; Gooderum, Paul B

1956-01-01

A change in flow pattern that was observed as the free-stream Mach number was increased in the vicinity of 0.8 was described in NACA Technical Note 1211 by Lindsey, Daley, and Humphreys. The flow on the upper surface behind the leading edge of an airfoil at an angle of attack changed abruptly from detached flow with an extensive region of separation to attached supersonic flow terminated by a shock wave. In the present paper, the consequences of shock-wave - boundary layer interaction are proposed as a factor that may be important in determining the conditions under which the change in flow pattern occurs. Some experimental evidence in support of the importance of this factor is presented.

Model Checking with Edge-Valued Decision Diagrams

NASA Technical Reports Server (NTRS)

Roux, Pierre; Siminiceanu, Radu I.

2010-01-01

We describe an algebra of Edge-Valued Decision Diagrams (EVMDDs) to encode arithmetic functions and its implementation in a model checking library. We provide efficient algorithms for manipulating EVMDDs and review the theoretical time complexity of these algorithms for all basic arithmetic and relational operators. We also demonstrate that the time complexity of the generic recursive algorithm for applying a binary operator on EVMDDs is no worse than that of Multi- Terminal Decision Diagrams. We have implemented a new symbolic model checker with the intention to represent in one formalism the best techniques available at the moment across a spectrum of existing tools. Compared to the CUDD package, our tool is several orders of magnitude faster

Edge modulation of electronics and transport properties of cliff-edge phosphorene nanoribbons

NASA Astrophysics Data System (ADS)

Guo, Caixia; Wang, Tianxing; Xia, Congxin; Liu, Yufang

2017-12-01

Based on the first-principles calculations, we study the electronic structures and transport properties of cliff-like edge phosphorene nanoribbons (CPNRs), considering different types of edge passivation. The band structures of bare CPNRs possess the metallic features; while hydrogen (H), fluorine (F), chlorine (Cl) and oxygen (O) atoms-passivated CPNRs are semiconductor materials, and the band gap values monotonically decrease when the ribbon width increases. Moreover, the H and F-passivated CPNRs exhibit the direct band gap characteristics, while the Cl and O-passivated cases show the features of indirect band gap. In addition, the edge passivated CPNRs are more energetically stable than bare edge case. Meanwhile, our results also show that the transport properties of the CPNRs can be obviously influenced by the different edge passivation.

Comparison of the Manganese Cluster in Oxygen-Evolving Photosystem II with Distorted Cubane Manganese Compounds through X-ray Absorption Spectroscopy

PubMed Central

Cinco, Roehl M.; Rompel, Annette; Visser, Hendrik; Aromí, Guillem; Christou, George; Sauer, Kenneth; Klein, Melvin P.; Yachandra, Vittal K.

2014-01-01

X-ray absorption spectroscopy has been employed to assess the degree of similarity between the oxygen-evolving complex (OEC) in photosystem II (PS II) and a family of synthetic manganese complexes containing the distorted cubane [Mn4O3X] core (X = benzoate, acetate, methoxide, hydroxide, azide, fluoride, chloride, or bromide). These [Mn4(μ3-O)3(μ3-X)] cubanes possess C3v symmetry except for the X = benzoate species, which is slightly more distorted with only Cs symmetry. In addition, Mn4O3Cl complexes containing three or six terminal Cl ligands at three of the Mn were included in this study. The Mn K-edge X-ray absorption near edge structure (XANES) from the oxygen-ligated complexes begin to resemble general features of the PS II (S1 state) spectrum, although the second derivatives are distinct from those in PS II. The extended X-ray absorption fine structure (EXAFS) of these Mn compounds also displays superficial resemblance to that of PS II, but major differences emerge on closer examination of the phases and amplitudes. The most obvious distinction is the smaller magnitude of the Fourier transform (FT) of the PS II EXAFS compared to the FTs from the distorted cubanes. Curve fitting of the Mn EXAFS spectra verifies the known core structures of the Mn cubanes, and shows that the number of the crucial 2.7 and 3.3 Å Mn–Mn distances differs from that observed in the OEC. The EXAFS method detects small changes in the core structures as X is varied in this series, and serves to exclude the distorted cubane of C3v symmetry as a topological model for the Mn catalytic cluster of the OEC. Instead, the method shows that even more distortion of the cubane framework, altering the ratio of the Mn–Mn distances, is required to resemble the Mn cluster in PS II. PMID:11671305

Tuning the band structure of graphene nanoribbons through defect-interaction-driven edge patterning

NASA Astrophysics Data System (ADS)

Du, Lin; Nguyen, Tam N.; Gilman, Ari; Muniz, André R.; Maroudas, Dimitrios

2017-12-01

We report a systematic analysis of pore-edge interactions in graphene nanoribbons (GNRs) and their outcomes based on first-principles calculations and classical molecular-dynamics simulations. We find a strong attractive interaction between nanopores and GNR edges that drives the pores to migrate toward and coalesce with the GNR edges, which can be exploited to form GNR edge patterns that impact the GNR electronic band structure and tune the GNR band gap. Our analysis introduces a viable physical processing strategy for modifying GNR properties by combining defect engineering and thermal annealing.

Competitive folding of anti-terminator/terminator hairpins monitored by single molecule FRET

PubMed Central

Clerte, Caroline; Declerck, Nathalie; Margeat, Emmanuel

2013-01-01

The control of transcription termination by RNA-binding proteins that modulate RNA-structures is an important regulatory mechanism in bacteria. LicT and SacY from Bacillus subtilis prevent the premature arrest of transcription by binding to an anti-terminator RNA hairpin that overlaps an intrinsic terminator located in the 5′-mRNA leader region of the gene to be regulated. In order to investigate the molecular determinants of this anti-termination/termination balance, we have developed a fluorescence-based nucleic acids system that mimics the competition between the LicT or SacY anti-terminator targets and the overlapping terminators. Using Förster Resonance Energy Transfer on single diffusing RNA hairpins, we could monitor directly their opening or closing state, and thus investigate the effects on this equilibrium of the binding of anti-termination proteins or terminator-mimicking oligonucleotides. We show that the anti-terminator hairpins adopt spontaneously a closed structure and that their structural dynamics is mainly governed by the length of their basal stem. The induced stability of the anti-terminator hairpins determines both the affinity and specificity of the anti-termination protein binding. Finally, we show that stabilization of the anti-terminator hairpin, by an extended basal stem or anti-termination protein binding can efficiently counteract the competing effect of the terminator-mimic. PMID:23303779

Beyond edge effects: landscape controls on forest structure in the southeastern US

NASA Astrophysics Data System (ADS)

Fagan, M. E.; Morton, D. C.; Cook, B.; Masek, J. G.; Zhao, F. A.; Nelson, R.; Huang, C.

2016-12-01

The structure of forest canopies (i.e., their height and complexity) is known to be influenced by a variety of factors, including forest age, species composition, disturbance, edaphic and topographical conditions, and exposure to edge environments. The combined impact of each of these factors on canopy structure is not well characterized for most forest ecosystems, however, which limits our ability to predict the regional impacts of forest fragmentation. The objective of this study was to elucidate the main biophysical drivers of canopy structure across two dominant ecosystems in the southeastern U.S: natural mixed deciduous forests, and industrial conifer plantations. We analyzed spatial changes in canopy structure along aerial transects of LiDAR data ( 3,000 km in all). High-resolution (1 m) LiDAR data from Goddard's LiDAR, Hyperspectral, and Thermal Airborne Imager (G-LiHT) were combined with time series of Landsat imagery to quantify forest type, age, composition, and fragmentation. Forest structural metrics (height, gap fraction, and canopy roughness) were examined across forest types, ages, topography, and decreasing edge exposure. We hypothesized that 1) structural edge effects would be weak in both natural and plantation forest types, and 2) age, composition, and topography would be the dominant influences on natural forest structure. We analyzed all large (>4 ha) fragments from the 8562 distinct forests measured during G-LiHT data collections in 2011 across the southeastern U.S. In general, the relationship between forest structural metrics and edge exposure was highly variable in both natural forests and plantations. However, variability in all structural metrics decreased with distance from an edge. Forest age and topography were strong predictors of canopy structure in natural forests. However plantations tended to be located in sites with limited topographical variation, and thinning disturbances of conifer plantations decreased the strength of the age-structure relationship. We found that canopy structure in our region is influenced by edge effects, but other factors played a larger role in determining forest characteristics. Our results highlight the importance of endogenous, stand-specific processes for forest structure, biomass, and biodiversity in the southeastern U.S.

Analysis of Ti valence states in resistive switching regions of a rutile TiO2‑ x four-terminal memristive device

NASA Astrophysics Data System (ADS)

Yamaguchi, Kengo; Takeuchi, Shotaro; Tohei, Tetsuya; Ikarashi, Nobuyuki; Sakai, Akira

2018-06-01

We have performed Ti valence state analysis of our four-terminal rutile TiO2‑ x single-crystal memristors using scanning transmission electron microscopy–electron energy loss spectroscopy (STEM–EELS). Analysis of Ti-L2,3 edge EELS spectra revealed that the electrocolored region formed by the application of voltage includes a valence state reflecting highly reduced TiO2‑ x due to the accumulation of oxygen vacancies. Such a valence state mainly exists within ∼50 nm from the crystal surface and extends along specific crystal directions. These electrically reduced surface layers are considered to directly contribute to the resistive switching (RS) in the four-terminal device. The present results add new insights into the microscopic mechanisms of the RS phenomena and should contribute to further development and improvements of TiO2‑ x based memristive devices.

High voltage MOSFET devices and methods of making the devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Banerjee, Sujit; Matocha, Kevin; Chatty, Kiran

A SiC MOSFET device having low specific on resistance is described. The device has N+, P-well and JFET regions extended in one direction (Y-direction) and P+ and source contacts extended in an orthogonal direction (X-direction). The polysilicon gate of the device covers the JFET region and is terminated over the P-well region to minimize electric field at the polysilicon gate edge. In use, current flows vertically from the drain contact at the bottom of the structure into the JFET region and then laterally in the X direction through the accumulation region and through the MOSFET channels into the adjacent N+more » region. The current flowing out of the channel then flows along the N+ region in the Y-direction and is collected by the source contacts and the final metal. Methods of making the device are also described.« less

User's Manual for FEMOM3DR. Version 1.0

NASA Technical Reports Server (NTRS)

Reddy, C. J.

1998-01-01

FEMoM3DR is a computer code written in FORTRAN 77 to compute radiation characteristics of antennas on 3D body using combined Finite Element Method (FEM)/Method of Moments (MoM) technique. The code is written to handle different feeding structures like coaxial line, rectangular waveguide, and circular waveguide. This code uses the tetrahedral elements, with vector edge basis functions for FEM and triangular elements with roof-top basis functions for MoM. By virtue of FEM, this code can handle any arbitrary shaped three dimensional bodies with inhomogeneous lossy materials; and due to MoM the computational domain can be terminated in any arbitrary shape. The User's Manual is written to make the user acquainted with the operation of the code. The user is assumed to be familiar with the FORTRAN 77 language and the operating environment of the computers on which the code is intended to run.

New species of Oswaldocruzia (Nematoda: Molineidae) and other helminths in Bolitoglossa subpalmata (Caudata:Plethodontidae) from Costa Rica.

PubMed

Bursey, Charles R; Goldberg, Stephen R

2011-04-01

Oswaldocruzia cartagoensis n. sp. (Strongylida: Molineidae) from the intestines of Bolitoglossa subpalmata (Caudata: Plethodontidae) is described and illustrated. Oswaldocruzia cartagoensis n. sp. represents the 86 th species assigned to the genus and the 39th species from the Neotropical region. It is most similar to the Neotropical species of the genus that possess type I bursa, i.e., Oswaldocruzia bonsi , Oswaldocruzia brasiliensis , Oswaldocruzia lopesi , Oswaldocruzia neghmei , and Oswaldocruzia vitti . Of these, O. bonsi, O. brasiliensis, and O. neghmei lack cervical alae, rib 4 in individuals of O. vitti reaches the edge of the bursal membrane, species of O. lopesi and O. cartagoensis can be separated on the basis of spicule structure, the blade in O. lopesi is bifurcate, and that of O. cartagoensis terminates in 6-8 fine points. In addition to the new species of Oswaldocruzia, Cosmocera parva, Cosmocera podicipinus, and acanthocephalan cystacanths were also found.

A two-dimensional Dirac fermion microscope

NASA Astrophysics Data System (ADS)

Bøggild, Peter; Caridad, José M.; Stampfer, Christoph; Calogero, Gaetano; Papior, Nick Rübner; Brandbyge, Mads

2017-06-01

The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80 years. The advent of two-dimensional materials opens new possibilities for realizing an analogy to electron microscopy in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2D electron guns, deflectors, tunable lenses and various detectors. The simulations show how simple objects can be imaged with well-controlled and collimated in-plane beams consisting of relativistic charge carriers. Finally, we discuss the potential of such microscopes for investigating edges, terminations and defects, as well as interfaces, including external nanoscale structures such as adsorbed molecules, nanoparticles or quantum dots.

A two-dimensional Dirac fermion microscope

PubMed Central

Bøggild, Peter; Caridad, José M.; Stampfer, Christoph; Calogero, Gaetano; Papior, Nick Rübner; Brandbyge, Mads

2017-01-01

The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80 years. The advent of two-dimensional materials opens new possibilities for realizing an analogy to electron microscopy in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2D electron guns, deflectors, tunable lenses and various detectors. The simulations show how simple objects can be imaged with well-controlled and collimated in-plane beams consisting of relativistic charge carriers. Finally, we discuss the potential of such microscopes for investigating edges, terminations and defects, as well as interfaces, including external nanoscale structures such as adsorbed molecules, nanoparticles or quantum dots. PMID:28598421

High voltage MOSFET devices and methods of making the devices

DOEpatents

Banerjee, Sujit; Matocha, Kevin; Chatty, Kiran

2015-12-15

A SiC MOSFET device having low specific on resistance is described. The device has N+, P-well and JFET regions extended in one direction (Y-direction) and P+ and source contacts extended in an orthogonal direction (X-direction). The polysilicon gate of the device covers the JFET region and is terminated over the P-well region to minimize electric field at the polysilicon gate edge. In use, current flows vertically from the drain contact at the bottom of the structure into the JFET region and then laterally in the X direction through the accumulation region and through the MOSFET channels into the adjacent N+ region. The current flowing out of the channel then flows along the N+ region in the Y-direction and is collected by the source contacts and the final metal. Methods of making the device are also described.

Mouthparts and their setae of the intertidal isopod Cirolana harfordi.

PubMed

Thomson, M

2013-11-01

The cirolanid isopod Cirolana harfordi is described as a scavenger and a predator that lives in the intertidal region. In order to understand the microanatomy of the mouthparts and the setae that allow this animal to handle and eat its food, a scanning electron microscopy study was conducted. C. harfordi displays a variety in the types of setae distributed on its mouthparts in a site-specific fashion, including complex setae placed on the medial edge of the maxilliped and maxilla. Terminal pores in some setae were found to contain a cupule, which is a hemispherical structure, housed in the concave recess of the pore, which demonstrates that the pore is more than merely a thinning of the cuticle as has been proposed. Future studies on setal morphology are needed for comparative microanatomy of cirolanid isopods. © 2013 The Author Journal of Microscopy © 2013 Royal Microscopical Society.

Formation of Polymeric Nanocubes by Self-Assembly and Crystallization of Dithiolane-Containing Triblock Copolymers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Margulis, Katherine; Zhang, Xiangyi; Joubert, Lydia -Marie

Template–free fabrication of non–spherical polymeric nanoparticles is desirable for various applications, but has had limited success owing to thermodynamic favorability of sphere formation. Herein we present a simple way to prepare cubic nanoparticles of block copolymers by self–assembly from aqueous solutions at room temperature. Nanocubes with edges of 40–200 nm are formed spontaneously on different surfaces upon water evaporation from micellar solutions of triblock copolymers containing a central poly(ethylene oxide) block and terminal trimethylene carbonate/dithiolane blocks. These polymers self–assemble into 28±5 nm micelles in water. Upon drying, micelle aggregation and a kinetically controlled crystallization of central blocks evidently induce solidmore » cubic particle formation. An approach for preserving the structures of these cubes in water by thiol– or photo–induced crosslinking was developed. In conclusion, the ability to solubilize a model hydrophobic drug, curcumin, was also explored.« less

Formation of Polymeric Nanocubes by Self-Assembly and Crystallization of Dithiolane-Containing Triblock Copolymers

DOE PAGES

Margulis, Katherine; Zhang, Xiangyi; Joubert, Lydia -Marie; ...

2017-10-27

Template–free fabrication of non–spherical polymeric nanoparticles is desirable for various applications, but has had limited success owing to thermodynamic favorability of sphere formation. Herein we present a simple way to prepare cubic nanoparticles of block copolymers by self–assembly from aqueous solutions at room temperature. Nanocubes with edges of 40–200 nm are formed spontaneously on different surfaces upon water evaporation from micellar solutions of triblock copolymers containing a central poly(ethylene oxide) block and terminal trimethylene carbonate/dithiolane blocks. These polymers self–assemble into 28±5 nm micelles in water. Upon drying, micelle aggregation and a kinetically controlled crystallization of central blocks evidently induce solidmore » cubic particle formation. An approach for preserving the structures of these cubes in water by thiol– or photo–induced crosslinking was developed. In conclusion, the ability to solubilize a model hydrophobic drug, curcumin, was also explored.« less

Compact waveguide circular polarizer

DOEpatents

Tantawi, Sami G.

2016-08-16

A multi-port waveguide is provided having a rectangular waveguide that includes a Y-shape structure with first top arm having a first rectangular waveguide port, a second top arm with second rectangular waveguide port, and a base arm with a third rectangular waveguide port for supporting a TE.sub.10 mode and a TE.sub.20 mode, where the end of the third rectangular waveguide port includes rounded edges that are parallel to a z-axis of the waveguide, a circular waveguide having a circular waveguide port for supporting a left hand and a right hand circular polarization TE.sub.11 mode and is coupled to a base arm broad wall, and a matching feature disposed on the base arm broad wall opposite of the circular waveguide for terminating the third rectangular waveguide port, where the first rectangular waveguide port, the second rectangular waveguide port and the circular waveguide port are capable of supporting 4-modes of operation.

Edge effects in vertically-oriented graphene based electric double-layer capacitors

NASA Astrophysics Data System (ADS)

Yang, Huachao; Yang, Jinyuan; Bo, Zheng; Zhang, Shuo; Yan, Jianhua; Cen, Kefa

2016-08-01

Vertically-oriented graphenes (VGs) have been demonstrated as a promising active material for electric double-layer capacitors (EDLCs), partially due to their edge-enriched structure. In this work, the 'edge effects', i.e., edges as the promoters of high capacitance, in VG based EDLCs are investigated with experimental research and numerical simulations. VGs with diverse heights (i.e., edge-to-basal ratios) and edge densities are prepared with varying the plasma-enabled growth time and employing different plasma sources. Electrochemical measurements show that the edges play a predominant role on the charge storage behavior of VGs. A simulation is further conducted to unveil the roles of the edges on the separation and adsorption of ions within VG channels. The initial charge distribution of a VG plane is obtained with density functional theory (DFT) calculations, which is subsequently applied to a molecular dynamics (MD) simulation system to gain the insights into the microscope EDLC structures. Compared with the basal planes, the edges present higher initial charge density (by 4.2 times), higher ion packing density (by 2.6 times), closer ion packing location (by 0.8 Å), and larger ion separation degree (by 14%). The as-obtained findings will be instructive in designing the morphology and structure of VGs for enhanced capacitive performances.

Structure and dynamics of stock market in times of crisis

NASA Astrophysics Data System (ADS)

Zhao, Longfeng; Li, Wei; Cai, Xu

2016-02-01

Daily correlations among 322 S&P 500 constituent stocks are investigated by means of correlation-based (CB) network. By using the heterogeneous time scales, we identify global expansion and local clustering market behaviors during crises, which are mainly caused by community splits and inter-sector edge number decreases. The CB networks display distinctive community and sector structures. Graph edit distance is applied to capturing the dynamics of CB networks in which drastic structure reconfigurations can be observed during crisis periods. Edge statistics reveal the power-law nature of edges' duration time distribution. Despite the networks' strong structural changes during crises, we still find some long-duration edges that serve as the backbone of the stock market. Finally the dynamical change of network structure has shown its capability in predicting the implied volatility index (VIX).

Structure and Order of Phosphonic Acid-Based Self-Assembled Monolayers on Si(100)

PubMed Central

Dubey, Manish; Weidner, Tobias; Gamble, Lara J.; Castner, David G.

2010-01-01

Organophosphonic acid self-assembled monolayers (SAMs) on oxide surfaces have recently seen increased use in electrical and biological sensor applications. The reliability and reproducibility of these sensors require good molecular organization in these SAMs. In this regard, packing, order and alignment in the SAMs is important, as it influences the electron transport measurements. In this study, we examine the order of hydroxyl- and methyl- terminated phosphonate films deposited onto silicon oxide surfaces by the tethering by aggregation and growth method using complementary, state-of-art surface characterization tools. Near edge x-ray absorption fine structure (NEXAFS) spectroscopy and in situ sum frequency generation (SFG) spectroscopy are used to study the order of the phosphonate SAMs in vacuum and under aqueous conditions, respectively. X-ray photoelectron spectroscopy and time of flight secondary ion mass spectrometry results show that these samples form chemically intact monolayer phosphonate films. NEXAFS and SFG spectroscopy showed that molecular order exists in the octadecylphosphonic acid and 11-hydroxyundecylphosphonic acid SAMs. The chain tilt angles in these SAMs were approximately 37° and 45°, respectively. PMID:20735054

Measuring the isoelectric point of the edges of clay mineral particles: the case of montmorillonite.

PubMed

Pecini, Eliana M; Avena, Marcelo J

2013-12-03

The isoelectric point (IEP) of the edge surface of a montmorillonite sample was determined by using electrophoretic mobility measurements. This parameter, which is fundamental for the understanding of the charging behavior of clay mineral surfaces, was never measured so far because of the presence of permanent negative charges within the montmorillonite structure, charges that mask the electrokinetic behavior of the edges. The strategy was to block or neutralize the structural charges with two different cations, methylene blue (MB(+)) and tetraethylenepentaminecopper(II) ([Cu(tetren)](2+)), so that the charging behavior of the particles becomes that of the edge surfaces. Adsorption isotherms of MB(+) and [Cu(tetren)](2+) at different ionic strengths (NaCl) were performed to establish the uptakes that neutralize the cation exchange capacity (CEC, 0.96 meq g(-1)) of the sample. At high adsorptive concentrations, there was a superequivalent adsorption of MB(+) (adsorption exceeding the CEC) and an equivalent adsorption of [Cu(tetren)](2+) (adsorption reaching the CEC). In both cases, structural charges were neutralized at uptakes very close to the CEC. Zeta potential (ζ) vs pH data at different ionic strengths of montmorillonite with adsorbed MB(+) allowed to estimate an upper limit of the edge's IEP, 5.3 ± 0.2. The same kind of data obtained with adsorbed [Cu(tetren)](2+) provided a lower limit of the IEP, 4.0 ± 0.2. These values are in agreement with previously informed IEP and point of zero charge of pyrophyllite, which is structurally analogous to montmorillonite but carries no permanent charges. The importance of knowing the IEP of the edge surface of clay minerals is discussed. This value characterizes the intrinsic reactivity of edges, that is, the protonating capacity of edge groups in absence of any electric field generated by structural charges. It also allows us to correct relative edge charge vs pH curves obtained by potentiometric titrations and to obtain the true edge charge vs pH curves at different electrolyte concentrations.

Photograph of nearly full moon taken from Apollo 8

NASA Image and Video Library

1968-12-22

AS08-14-2506 (21-27 Dec. 1968) --- This photograph of a nearly full moon was taken from the Apollo 8 spacecraft at a point above 70 degrees east longitude. (Hold picture with moon's dark portion at left). Mare Crisium, the circular, dark-colored area near the center, is near the eastern edge of the moon as viewed from Earth. Mare Nectaris is the circular mare near the terminator. The large, irregular maira are Tranquillitatis and Fecunditatis. The terminator at left side of picture crosses Mare Tranquillitatis and highlands to the south. Lunar farside features occupy most of the right half of the picture. The large, dark-colored crater Tsiolkovsky is near the limb at the lower right. Conspicuous bright rays radiate from two large craters, one to the north of Tsiolkovsky, the other near the limb in the upper half of the picture. These rayed craters were not conspicuous in Lunar Orbiter photography due to the low sun elevations when the Lunar Orbiter photography was made. The crater Langrenus is near the center of the picture at the eastern edge of Mare Fecunditatis. The lunar surface probably has less pronounced color that indicated by this print.

At the edge of intonation: the interplay of utterance-final F0 movements and voiceless fricative sounds.

PubMed

Niebuhr, Oliver

2012-01-01

The paper is concerned with the 'edge of intonation' in a twofold sense. It focuses on utterance-final F0 movements and crosses the traditional segment-prosody divide by investigating the interplay of F0 and voiceless fricatives in speech production. An experiment was performed for German with four types of voiceless fricatives: /f/, /s/, /ʃ/ and /x/. They were elicited with scripted dialogues in the contexts of terminal falling statement and high rising question intonations. Acoustic analyses show that fricatives concluding the high rising question intonations had higher mean centres of gravity (CoGs), larger CoG ranges and higher noise energy levels than fricatives concluding the terminal falling statement intonations. The different spectral-energy patterns are suitable to induce percepts of a high 'aperiodic pitch' at the end of the questions and of a low 'aperiodic pitch' at the end of the statements. The results are discussed with regard to the possible existence of 'segmental intonation' and its implication for F0 truncation and the segment-prosody dichotomy, in which segments are the alleged troublemakers for the production and perception of intonation. Copyright © 2012 S. Karger AG, Basel.

Simulation design of high reverse blocking high-K/low-K compound passivation AlGaN/GaN Schottky barrier diode with gated edge termination

NASA Astrophysics Data System (ADS)

Bai, Zhiyuan; Du, Jiangfeng; Xin, Qi; Li, Ruonan; Yu, Qi

2017-11-01

In this paper, a novel high-K/low-K compound passivation AlGaN/GaN Schottky Barrier Diode (CPG-SBD) is proposed to improve the off-state characteristics of AlGaN/GaN schottky barrier diode with gated edge termination (GET-SBD) by adding low-K blocks in to the high-K passivation layer. The reverse leakage current of CPG-SBD can be reduced to 1.6 nA/mm by reducing the thickness of high-K dielectric under GET region to 5 nm, while the forward voltage and on-state resistance keep 1 V and 3.8 Ω mm, respectively. Breakdown voltage of CPG-SBDs can be improved by inducing discontinuity of the electric field at the high-K/low-K interface. The breakdown voltage of the optimized CPG-SBD with 4 blocks of low-K can reach 1084 V with anode to cathode distance of 5 μm yielding a high FOM of 5.9 GW/cm2. From the C-V simulation results, CPG-SBDs induce no parasitic capacitance by comparison of the GET-SBDs.

On the aeroacoustic and flow structures developed on a flat plate with a serrated sawtooth trailing edge

NASA Astrophysics Data System (ADS)

Chong, Tze Pei; Vathylakis, Alexandros

2015-10-01

Results of an experimental study on turbulent flow over a flat plate with a serrated sawtooth trailing edge are presented in this paper. After tripping the boundary layer to become turbulent, the broadband noise sources at the sawtooth serrated trailing edge is studied by several experimental techniques. Broadband noise reduction by the serrated sawtooth trailing edge can be realistically achieved in the flat plate configuration. The variations of wall pressure power spectral density and the spanwise coherence (which relates to the spanwise correlation length) in a sawtooth trailing edge play a minor role in the mechanisms underpinning the reduction of self noise radiation. Conditional-averaging technique was applied in the boundary layer data where a pair of pressure-driven oblique vortical structures near the sawtooth side edges is identified. In the current flat plate configuration, the interaction between the vortical structures and the local turbulent boundary layer results in a redistribution of the momentum transport and turbulent shear stress near the sawtooth side edges as well as the sawtooth tip, thus affecting the efficiency of self noise radiation.

Magnetotransport Properties of Graphene Nanoribbons with Zigzag Edges

NASA Astrophysics Data System (ADS)

Wu, Shuang; Liu, Bing; Shen, Cheng; Li, Si; Huang, Xiaochun; Lu, Xiaobo; Chen, Peng; Wang, Guole; Wang, Duoming; Liao, Mengzhou; Zhang, Jing; Zhang, Tingting; Wang, Shuopei; Yang, Wei; Yang, Rong; Shi, Dongxia; Watanabe, Kenji; Taniguchi, Takashi; Yao, Yugui; Wang, Weihua; Zhang, Guangyu

2018-05-01

The determination of the electronic structure by edge geometry is unique to graphene. In theory, an evanescent nonchiral edge state is predicted at the zigzag edges of graphene. Up to now, the approach used to study zigzag-edged graphene has mostly been limited to scanning tunneling microscopy. The transport properties have not been revealed. Recent advances in hydrogen plasma-assisted "top-down" fabrication of zigzag-edged graphene nanoribbons (Z-GNRs) have allowed us to investigate edge-related transport properties. In this Letter, we report the magnetotransport properties of Z-GNRs down to ˜70 nm wide on an h -BN substrate. In the quantum Hall effect regime, a prominent conductance peak is observed at Landau ν =0 , which is absent in GNRs with nonzigzag edges. The conductance peak persists under perpendicular magnetic fields and low temperatures. At a zero magnetic field, a nonlocal voltage signal, evidenced by edge conduction, is detected. These prominent transport features are closely related to the observable density of states at the hydrogen-etched zigzag edge of graphene probed by scanning tunneling spectroscopy, which qualitatively matches the theoretically predicted electronic structure for zigzag-edged graphene. Our study gives important insights for the design of new edge-related electronic devices.

Technique for microswitch manufacture

NASA Technical Reports Server (NTRS)

Kitamura, T.; Kiyoyama, S.

1983-01-01

A five-step technique for microswitch manufacture is described: (1) A clad board is inlaid with a precious metal and the board is pressed. (2) One end of the fixed contact containing a precious metal inlay section is curved, and this edge of the precious metal inlay section becomes a fixed contact. (3) Inserts are formed in the unit body and terminal strips are placed through the top and bottom of the base and held. (4) The unit body is held by the base and the sequential contact strips are cut off. (5) Movable stripes are attached to the support of the terminal strips on the movable side and movable contacts are placed opposite the fixed contacts.

Turbulent Structures in a Pine Forest with a Deep and Sparse Trunk Space: Stand and Edge Regions

NASA Astrophysics Data System (ADS)

Dupont, Sylvain; Irvine, Mark R.; Bonnefond, Jean-Marc; Lamaud, Eric; Brunet, Yves

2012-05-01

Forested landscapes often exhibit large spatial variability in vertical and horizontal foliage distributions. This variability may affect canopy-atmosphere exchanges through its action on the development of turbulent structures. Here we investigate in neutral stratification the turbulent structures encountered in a maritime pine forest characterized by a high, dense foliated layer associated with a deep and sparse trunk space. Both stand and edge regions are considered. In situ measurements and the results of large-eddy simulations are used and analyzed together. In stand conditions, far from the edge, canopy-top structures appear strongly damped by the dense crown layer. Turbulent wind fluctuations within the trunk space, where the momentum flux vanishes, are closely related to these canopy-top structures through pressure diffusion. Consequently, autocorrelation and spectral analyses are not quite appropriate to characterize the vertical scale of coherent structures in this type of canopy, as pressure diffusion enhances the actual scale of structures. At frequencies higher than those associated with canopy-top structures, wind fluctuations related to wake structures developing behind tree stems are observed within the trunk space. They manifest themselves in wind velocity spectra as secondary peaks in the inertial subrange region, confirming the hypothesis of spectral short-cuts in vegetation canopies. In the edge region specific turbulent structures develop just below the crown layer, in addition to canopy-top structures. They are generated by the wind shear induced by the sub-canopy wind jet that forms at the edge. These structures provide a momentum exchange mechanism similar to that observed at the canopy top but in the opposite direction and with a lower magnitude. They may develop as in plane mixing-layer flows, with some perturbations induced by canopy-top structures. Wake structures are also observed within the trunk space in the edge region.

Advanced leading edge thermal-structure concept. Direct bond reusable surface insulation to a composite structure

NASA Technical Reports Server (NTRS)

Riccitiello, S. R.; Figueroa, H.; Coe, C. F.; Kuo, C. P.

1984-01-01

An advanced leading-edge concept was analyzed using the space shuttle leading edge system as a reference model. The comparison indicates that a direct-bond system utilizing a high temperature (2700 F) fibrous refractory composite insulation tile bonded to a high temperature (PI/graphite) composite structure can result in a weight savings of up to 800 lb. The concern that tile damage or loss during ascent would result in adverse entry aerodynamics if a leading edge tile system were used is addressed. It was found from experiment that missing tiles (as many as 22) on the leading edge would not significantly affect the basic force-and-moment aerodynamic coefficients. Additionally, this concept affords a degree of redundancy to a thermal protection system in that the base structure (being a composite material) ablates and neither melts nor burns through when subjected to entry heating in the event tiles are actually lost or damaged during ascent.

Effect of aluminum on the local structure of silicon in zeolites as studied by Si K edge X-ray absorption near-edge fine structure: spectra simulation with a non-muffin tin atomic background.

PubMed

Bugaev, Lusegen A; Bokhoven, Jeroen A van; Khrapko, Valerii V

2009-04-09

Experimental Si K edge X-ray absorption near-edge fine structure (XANES) of zeolite faujasite, mordenite, and beta are interpreted by means of the FEFF8 code, replacing the theoretical atomic background mu(0) by a background that was extracted from an experimental spectrum. To some extent, this diminished the effect of the inaccuracy introduced by the MT potential and accounted for the intrinsic loss of photoelectrons. The agreement of the theoretical and experimental spectra at energies above the white lines enabled us to identify structural distortion around silicon, which occurs with increasing aluminum content. The Si K edge XANES spectra are very sensitive to slight distortions in the silicon coordination. Placing an aluminum atom on a nearest neighboring T site causes a distortion in the silicon tetrahedron, shortening one of the silicon-oxygen bonds relative to the other three.

Terminator Detection by Support Vector Machine Utilizing aStochastic Context-Free Grammar

DOE Office of Scientific and Technical Information (OSTI.GOV)

Francis-Lyon, Patricia; Cristianini, Nello; Holbrook, Stephen

2006-12-30

A 2-stage detector was designed to find rho-independent transcription terminators in the Escherichia coli genome. The detector includes a Stochastic Context Free Grammar (SCFG) component and a Support Vector Machine (SVM) component. To find terminators, the SCFG searches the intergenic regions of nucleotide sequence for local matches to a terminator grammar that was designed and trained utilizing examples of known terminators. The grammar selects sequences that are the best candidates for terminators and assigns them a prefix, stem-loop, suffix structure using the Cocke-Younger-Kasaami (CYK) algorithm, modified to incorporate energy affects of base pairing. The parameters from this inferred structure aremore » passed to the SVM classifier, which distinguishes terminators from non-terminators that score high according to the terminator grammar. The SVM was trained with negative examples drawn from intergenic sequences that include both featureless and RNA gene regions (which were assigned prefix, stem-loop, suffix structure by the SCFG), so that it successfully distinguishes terminators from either of these. The classifier was found to be 96.4% successful during testing.« less

Biologically based machine vision: signal analysis of monopolar cells in the visual system of Musca domestica.

PubMed

Newton, Jenny; Barrett, Steven F; Wilcox, Michael J; Popp, Stephanie

2002-01-01

Machine vision for navigational purposes is a rapidly growing field. Many abilities such as object recognition and target tracking rely on vision. Autonomous vehicles must be able to navigate in dynamic enviroments and simultaneously locate a target position. Traditional machine vision often fails to react in real time because of large computational requirements whereas the fly achieves complex orientation and navigation with a relatively small and simple brain. Understanding how the fly extracts visual information and how neurons encode and process information could lead us to a new approach for machine vision applications. Photoreceptors in the Musca domestica eye that share the same spatial information converge into a structure called the cartridge. The cartridge consists of the photoreceptor axon terminals and monopolar cells L1, L2, and L4. It is thought that L1 and L2 cells encode edge related information relative to a single cartridge. These cells are thought to be equivalent to vertebrate bipolar cells, producing contrast enhancement and reduction of information sent to L4. Monopolar cell L4 is thought to perform image segmentation on the information input from L1 and L2 and also enhance edge detection. A mesh of interconnected L4's would correlate the output from L1 and L2 cells of adjacent cartridges and provide a parallel network for segmenting an object's edges. The focus of this research is to excite photoreceptors of the common housefly, Musca domestica, with different visual patterns. The electrical response of monopolar cells L1, L2, and L4 will be recorded using intracellular recording techniques. Signal analysis will determine the neurocircuitry to detect and segment images.

Structure and stability of pyrophyllite edge surfaces: Effect of temperature and water chemical potential

NASA Astrophysics Data System (ADS)

Kwon, Kideok D.; Newton, Aric G.

2016-10-01

The surfaces of clay minerals, which are abundant in atmospheric mineral dust, serve as an important medium to catalyze ice nucleation. The lateral edge surface of 2:1 clay minerals is postulated to be a potential site for ice nucleation. However, experimental investigations of the edge surface structure itself have been limited compared to the basal planes of clay minerals. Density functional theory (DFT) computational studies have provided insights into the pyrophyllite edge surface. Pyrophyllite is an ideal surrogate mineral for the edge surfaces of 2:1 clay minerals as it possesses no or little structural charge. Of the two most-common hydrated edge surfaces, the AC edge, (1 1 0) surface in the monoclinic polytype notation, is predicted to be more stable than the B edge, (0 1 0) surface. These stabilities, however, were determined based on the total energies calculated at 0 K and did not consider environmental effects such as temperature and humidity. In this study, atomistic thermodynamics based on periodic DFT electronic calculations was applied to examine the effects of environmental variables on the structure and thermodynamic stability of the common edge surfaces in equilibrium with bulk pyrophyllite and water vapor. We demonstrate that the temperature-dependent vibrational energy of sorbed water molecules at the edge surface is a significant component of the surface free energy and cannot be neglected when determining the surface stability of pyrophyllite. The surface free energies were calculated as a function of temperature from 240 to 600 K and water chemical potential corresponding to conditions from ultrahigh vacuum to the saturation vapor pressure of water. We show that at lower water chemical potentials (dry conditions), the AC and B edge surfaces possessed similar stabilities; at higher chemical potentials (humid conditions) the AC edge surface was more stable than the B edge surface. At high temperatures, both surfaces showed similar stabilities regardless of the water chemical potential. The equilibrium morphology of pyrophyllite crystals is also expected to be dependent on these two environmental variables. Surface defects may impact the surface reactivity. We discuss the thermodynamic stability of a possible Si cation vacancy defect which provides additional hydroxyl group on the surface.

Space shuttle orbiter leading-edge flight performance compared to design goals

NASA Technical Reports Server (NTRS)

Curry, D. M.; Johnson, D. W.; Kelly, R. E.

1983-01-01

Thermo-structural performance of the Space Shuttle orbiter Columbia's leading-edge structural subsystem for the first five (5) flights is compared with the design goals. Lessons learned from thse initial flights of the first reusable manned spacecraft are discussed in order to assess design maturity, deficiencies, and modifications required to rectify the design deficiencies. Flight data and post-flight inspections support the conclusion that the leading-edge structural subsystem hardware performance was outstanding for the initial five (5) flights.

Slab edge interaction with a back-arc spreading center: 3D instantaneous mantle flow models of Vanuatu, SW Pacific

NASA Astrophysics Data System (ADS)

McLean, K. A.; Jadamec, M.; Durance-Sie, P. M.; Moresi, L. N.

2011-12-01

The Vanuatu area of the south-west Pacific is a dynamic region of high heat-flow and strain-rate, dominated by ongoing plate boundary processes. At the southern termination of the Vanuatu arc the curved geometry of the New Hebrides trench juxtaposes the slab edge perpendicular to its back-arc spreading center. While existing 3D subduction models have demonstrated the importance of mantle flow around a slab edge, the nature of interaction between back-arc upwelling and circum-slab edge mantle flow is not well understood. We use 3D instantaneous numerical models of a Newtonian mantle rheology to test the effect of the slab edge and back-arc upwelling on the mantle flow vector field beneath southern Vanuatu. These high-resolution models simulate temperature-dependent buoyancy-driven deformation of the lithosphere and mantle for a realistic slab geometry. Model results show a small but significant component of vertical mantle flow velocity associated with the slab edge and back-arc spreading center. We also see strain-rate and dynamic topography commensurate with surface observations. Mantle flow by toroidal-type motion brings hotter mantle material from behind the slab into the mantle wedge, elevating geothermal gradients in the slab edge vicinity. The implications of moderate vertical displacement of this hot mantle material at the slab edge are wide-ranging, and such a tectonic framework might aid interpretation of a number of surface observations. For example, induced decompression partial-melting in the mantle wedge and/or slab, and thermal erosion of the slab may contribute to the diverse magma compositions from this region.

Hypersonic aerospace vehicle leading edge cooling using heat pipe, transpiration and film cooling techniques

NASA Astrophysics Data System (ADS)

Modlin, James Michael

An investigation was conducted to study the feasibility of cooling hypersonic vehicle leading edge structures exposed to severe aerodynamic surface heat fluxes using a combination of liquid metal heat pipes and surface mass transfer cooling techniques. A generalized, transient, finite difference based hypersonic leading edge cooling model was developed that incorporated these effects and was demonstrated on an assumed aerospace plane-type wing leading edge section and a SCRAMJET engine inlet leading edge section. The hypersonic leading edge cooling model was developed using an existing, experimentally verified heat pipe model. Two applications of the hypersonic leading edge cooling model were examined. An assumed aerospace plane-type wing leading edge section exposed to a severe laminar, hypersonic aerodynamic surface heat flux was studied. A second application of the hypersonic leading edge cooling model was conducted on an assumed one-quarter inch nose diameter SCRAMJET engine inlet leading edge section exposed to both a transient laminar, hypersonic aerodynamic surface heat flux and a type 4 shock interference surface heat flux. The investigation led to the conclusion that cooling leading edge structures exposed to severe hypersonic flight environments using a combination of liquid metal heat pipe, surface transpiration, and film cooling methods appeared feasible.

Dimensionless, Scale Invariant, Edge Weight Metric for the Study of Complex Structural Networks

PubMed Central

Colon-Perez, Luis M.; Spindler, Caitlin; Goicochea, Shelby; Triplett, William; Parekh, Mansi; Montie, Eric; Carney, Paul R.; Price, Catherine; Mareci, Thomas H.

2015-01-01

High spatial and angular resolution diffusion weighted imaging (DWI) with network analysis provides a unique framework for the study of brain structure in vivo. DWI-derived brain connectivity patterns are best characterized with graph theory using an edge weight to quantify the strength of white matter connections between gray matter nodes. Here a dimensionless, scale-invariant edge weight is introduced to measure node connectivity. This edge weight metric provides reasonable and consistent values over any size scale (e.g. rodents to humans) used to quantify the strength of connection. Firstly, simulations were used to assess the effects of tractography seed point density and random errors in the estimated fiber orientations; with sufficient signal-to-noise ratio (SNR), edge weight estimates improve as the seed density increases. Secondly to evaluate the application of the edge weight in the human brain, ten repeated measures of DWI in the same healthy human subject were analyzed. Mean edge weight values within the cingulum and corpus callosum were consistent and showed low variability. Thirdly, using excised rat brains to study the effects of spatial resolution, the weight of edges connecting major structures in the temporal lobe were used to characterize connectivity in this local network. The results indicate that with adequate resolution and SNR, connections between network nodes are characterized well by this edge weight metric. Therefore this new dimensionless, scale-invariant edge weight metric provides a robust measure of network connectivity that can be applied in any size regime. PMID:26173147

Dimensionless, Scale Invariant, Edge Weight Metric for the Study of Complex Structural Networks.

PubMed

Colon-Perez, Luis M; Spindler, Caitlin; Goicochea, Shelby; Triplett, William; Parekh, Mansi; Montie, Eric; Carney, Paul R; Price, Catherine; Mareci, Thomas H

2015-01-01

High spatial and angular resolution diffusion weighted imaging (DWI) with network analysis provides a unique framework for the study of brain structure in vivo. DWI-derived brain connectivity patterns are best characterized with graph theory using an edge weight to quantify the strength of white matter connections between gray matter nodes. Here a dimensionless, scale-invariant edge weight is introduced to measure node connectivity. This edge weight metric provides reasonable and consistent values over any size scale (e.g. rodents to humans) used to quantify the strength of connection. Firstly, simulations were used to assess the effects of tractography seed point density and random errors in the estimated fiber orientations; with sufficient signal-to-noise ratio (SNR), edge weight estimates improve as the seed density increases. Secondly to evaluate the application of the edge weight in the human brain, ten repeated measures of DWI in the same healthy human subject were analyzed. Mean edge weight values within the cingulum and corpus callosum were consistent and showed low variability. Thirdly, using excised rat brains to study the effects of spatial resolution, the weight of edges connecting major structures in the temporal lobe were used to characterize connectivity in this local network. The results indicate that with adequate resolution and SNR, connections between network nodes are characterized well by this edge weight metric. Therefore this new dimensionless, scale-invariant edge weight metric provides a robust measure of network connectivity that can be applied in any size regime.

Assessing Anthropogenic Influence and Edge Effect Influence on Forested Riparian Buffer Spatial Configuration and Structure: An Example Using Lidar Remote Sensing Methods

NASA Astrophysics Data System (ADS)

Wasser, L. A.; Chasmer, L. E.

2012-12-01

Forested riparian buffers (FRB) perform numerous critical ecosystem services. However, globally, FRB spatial configuration and structure have been modified by anthropogenic development resulting in widespread ecological degradation as seen in the Gulf of Mexico and the Chesapeake Bay. Riparian corridors within developed areas are particularly vulnerable to disturbance given two edges - the naturally occurring stream edge and the matrix edge. Increased edge length predisposes riparian vegetation to "edge effects", characterized by modified physical and environmental conditions at the interface between the forested buffer and the adjacent landuse, or matrix and forest fragment degradation. The magnitude and distance of edge influence may be further influenced by adjacent landuse type and the width of the buffer corridor at any given location. There is a need to quantify riparian buffer spatial configuration and structure over broad geographic extents and within multiple riparian systems in support of ecologically sound management and landuse decisions. This study thus assesses the influence of varying landuse types (agriculture, suburban development and undeveloped) on forested riparian buffer 3-dimensional structure and spatial configuration using high resolution Light Detection and Ranging (LiDAR) data collected within a headwater watershed. Few studies have assessed riparian buffer structure and width contiguously for an entire watershed, an integral component of watershed planning and restoration efforts such as those conducted throughout the Chesapeake Bay. The objectives of the study are to 1) quantify differences in vegetation structure at the stream and matrix influenced riparian buffer edges, compared to the forested interior and 2) assess continuous patterns of changes in vegetation structure throughout the buffer corridor beginning at the matrix edge and ending at the stream within buffers a) of varying width and b) that are adjacent to varying landuse types. Results suggest that 1) the spatial configuration of riparian forests has a strong influence on forest structure compared to a weaker association with adjacent landuse type 2) developed landuse types are often associated with increased understory vegetation density 3) that riparian vegetation canopy cover is dense regardless of corridor width or adjacent landuse type and 4) the degree to which edge effects propagate into the buffer corridor is most influenced by corridor width. The study further demonstrates the utility of automated algorithms that sample lidar data in watershed-wide ecological analysis. Results suggest that landuse regulations should encourage wider buffers which will in turn support a greater range of ecosystem services including improved wildlife habitat, stream shading and detrital inputs.

Analysis of current-driven oscillatory dynamics of single-layer homoepitaxial islands on crystalline conducting substrates

NASA Astrophysics Data System (ADS)

Dasgupta, Dwaipayan; Kumar, Ashish; Maroudas, Dimitrios

2018-03-01

We report results of a systematic study on the complex oscillatory current-driven dynamics of single-layer homoepitaxial islands on crystalline substrate surfaces and the dependence of this driven dynamical behavior on important physical parameters, including island size, substrate surface orientation, and direction of externally applied electric field. The analysis is based on a nonlinear model of driven island edge morphological evolution that accounts for curvature-driven edge diffusion, edge electromigration, and edge diffusional anisotropy. Using a linear theory of island edge morphological stability, we calculate a critical island size at which the island's equilibrium edge shape becomes unstable, which sets a lower bound for the onset of time-periodic oscillatory dynamical response. Using direct dynamical simulations, we study the edge morphological dynamics of current-driven single-layer islands at larger-than-critical size, and determine the actual island size at which the migrating islands undergo a transition from steady to time-periodic asymptotic states through a subcritical Hopf bifurcation. At the highest symmetry of diffusional anisotropy examined, on {111} surfaces of face-centered cubic crystalline substrates, we find that more complex stable oscillatory states can be reached through period-doubling bifurcation at island sizes larger than those at the Hopf points. We characterize in detail the island morphology and dynamical response at the stable time-periodic asymptotic states, determine the range of stability of these oscillatory states terminated by island breakup, and explain the morphological features of the stable oscillating islands on the basis of linear stability theory.

Folding Automaton for Trees

NASA Astrophysics Data System (ADS)

Subashini, N.; Thiagarajan, K.

2018-04-01

In this paper we observed the definition of folding technique in graph theory and we derived the corresponding automaton for trees. Also derived some propositions on symmetrical structure tree, non-symmetrical structure tree, point symmetrical structure tree, edge symmetrical structure tree along with finite number of points. This approach provides to derive one edge after n’ number of foldings.

Six-month outcome after transcatheter edge-to-edge repair of severe tricuspid regurgitation in patients with heart failure.

PubMed

Orban, Mathias; Besler, Christian; Braun, Daniel; Nabauer, Michael; Zimmer, Marion; Orban, Martin; Noack, Thilo; Mehilli, Julinda; Hagl, Christian; Seeburger, Joerg; Borger, Michael; Linke, Axel; Thiele, Holger; Massberg, Steffen; Ender, Joerg; Lurz, Philipp; Hausleiter, Jörg

2018-06-01

Severe tricuspid regurgitation (TR) is common in patients with right-sided heart failure (HF) and causes substantial morbidity and mortality. Treatment options beyond medical therapy are limited for high-risk patients. Transcatheter edge-to-edge tricuspid valve (TV) repair showed procedural safety and short-term efficacy. Impact on mid-term outcome is unclear. This dual-centre observational study evaluates the mid-term safety, efficacy and clinical outcome after edge-to-edge TV repair for severe TR in patients with HF. Overall, 50 patients with right-sided HF and severe TR were treated with the transcatheter edge-to-edge repair technique; 14 patients were treated for isolated TR and 36 patients for combined mitral regurgitation (MR) and TR. At 6-month follow-up (available for 98% of patients), a persistent reduction of at least one echocardiographic TR grade was achieved in 90% of patients and New York Heart Association class improved in 79% of patients. The 6-minute walk distance increased by 44% (+84 m, P < 0.001), the median N-terminal pro-B-type natriuretic peptide decreased by 30% (from 3625 to 2526 pg/mL, P = 0.002), and the quality of life score improved by 16% (decrease of 6 points in the Minnesota Living with Heart Failure Questionnaire score, P = 0.056). The improvements were comparable in patients undergoing isolated TR or combined MR and TR treatment. During follow-up, 8 patients died, 14 were hospitalized for worsening of HF, 2 underwent TV surgery, and 2 received a second TV clip procedure. Transcatheter edge-to-edge TV repair for severe TR is safe and effective in reducing TR. It appears to be associated with improved clinical outcome in the majority of patients. © 2018 The Authors. European Journal of Heart Failure © 2018 European Society of Cardiology.

Helix A Stabilization Precedes Amino-terminal Lobe Activation upon Calcium Binding to Calmodulin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Baowei; Lowry, David; Mayer, M. Uljana

2008-08-09

The structural coupling between opposing domains of CaM was investigated using the conformationally sensitive biarsenical probe 4,5-bis(1,3,2-dithioarsolan-2-yl)-resorufin (ReAsH), which upon binding to an engineered tetracysteine binding motif near the end of helix A (Thr-5 to Phe-19) becomes highly fluorescent. Changes in conformation and dynamics are reflective of the native CaM structure, as there is no change in the 1H- 15N HSQC NMR spectrum in comparison to wild-type CaM. We find evidence of a conformational intermediate associated with CaM activation, where calcium occupancy of sites in the amino-terminal and carboxyl-terminal lobes of CaM differentially affect the fluorescence intensity of bound ReAsH.more » Insight into the structure of the conformational intermediate is possible from a consideration of calcium-dependent changes in rates of ReAsH binding and helix A mobility, which respectively distinguish secondary structural changes associated with helix A stabilization from the tertiary structural reorganization of the amino-terminal lobe of CaM necessary for high-affinity binding to target proteins. Helix A stabilization is associated with calcium occupancy of sites in the carboxyl-terminal lobe (Kd = 0.36 ± 0.04 μM), which results in a reduction in the rate of ReAsH binding from 4900 M -1 sec -1 to 370 M -1 sec -1. In comparison, tertiary structural changes involving helix A and other structural elements in the amino-terminal lobe requires calcium-occupancy of amino-terminal sites (Kd = 18 ± 3 μM). Observed secondary and tertiary structural changes involving helix A in response to the sequential calcium occupancy of carboxyl- and amino-terminal lobe calcium binding sites suggest an important involvement of helix A in mediating the structural coupling between the opposing domains of CaM. These results are discussed in terms of a model in which carboxyl-terminal lobe calcium activation induces secondary structural changes within the interdomain linker that release helix A, thereby facilitating the formation of calcium binding sites in the amino-terminal lobe and linked tertiary structural rearrangements to form a high-affinity binding cleft that can associate with target proteins.« less

FAST TRACK COMMUNICATION: Preferential functionalization on zigzag graphene nanoribbons: first-principles calculations

NASA Astrophysics Data System (ADS)

Lee, Hoonkyung

2010-09-01

We investigate the functionalization of functional groups to graphene nanoribbons with zigzag and armchair edges using first-principles calculations. We find that the formation energy for the configuration of the functional groups functionalized to the zigzag edge is ~ 0.2 eV per functional group lower than that to the armchair edge. The formation energy difference arises from a structural deformation on the armchair edge by the functionalization whereas there is no structural deformation on the zigzag edge. Selective functionalization on the zigzag edge takes place at a condition of the temperature and the pressure of ~ 25 °C and 10 - 5 atm. Our findings show that selective functionalization can offer the opportunity for an approach to the separation of zigzag graphene nanoribbons with their solubility change.

Silicon K-edge XANES spectra of silicate minerals

NASA Astrophysics Data System (ADS)

Li, Dien; Bancroft, G. M.; Fleet, M. E.; Feng, X. H.

1995-03-01

Silicon K-edge x-ray absorption near-edge structure (XANES) spectra of a selection of silicate and aluminosilicate minerals have been measured using synchrotron radiation (SR). The spectra are qualitatively interpreted based on MO calculation of the tetrahedral SiO{4/4-}cluster. The Si K-edge generally shifts to higher energy with increased polymerization of silicates by about 1.3 eV, but with considerable overlap for silicates of different polymerization types. The substitution of Al for Si shifts the Si K-edge to lower energy. The chemical shift of Si K-edge is also sensitive to cations in more distant atom shells; for example, the Si K-edge shifts to lower energy with the substitution of Al for Mg in octahedral sites. The shifts of the Si K-edge show weak correlation with average Si-O bond distance (dSi-O), Si-O bond valence (sSi-O) and distortion of SiO4 tetrahedra, due to the crystal structure complexity of silicate minerals and multiple factors effecting the x-ray absorption processes.

Lessons Learned on Bioaugmentation of DNAPL Source Zone Areas

DTIC Science & Technology

2007-10-01

but rather have stringers, ganglia or blobs that can create an “effective pool length”. As the leading edge of these discontinuous DNAPL free-phases...terminal restriction fragment length polymorphism (T-RFLP), denaturing gradient gel electrophoresis (DGGE), and fluorescent in situ hybridization ( FISH ...question of interest (e.g. PCR, FISH , DGGE); (ii) sampling location(s); (iii) an appropriate sampling procedure; and (iv) an appropriate sample handling

29 CFR Appendix G to Subpart R of... - § 1926.502 (b)-(e) Fall Protection Systems Criteria and Practices

Code of Federal Regulations, 2011 CFR

2011-07-01

... members (such as balusters), when used between posts, shall be not more than 19 inches (48 cm) apart. (iv... the top edge. (4) When the 200 pound (890 N) test load specified in paragraph (b)(3) of this section... overhang the terminal posts, except where such overhang does not constitute a projection hazard. (8) Steel...

War Termination: Dreaming of the End and the Ultimate Triumph

DTIC Science & Technology

2004-05-17

and unstructured, art and science . To realize national strategic objectives and develop a triumphant peace, operational commanders must shun the...itself, war termination is both political and military, structured and unstructured, art and science . To realize national strategic objectives and...termination is political and military, structured and unstructured, art and science . By applying elements of operational art to war termination and

Forest edges: Effects on vegetation, environmental gradients and local avian communities in the Sierra Juarez, Oaxaca, Mexico

NASA Astrophysics Data System (ADS)

Burcsu, Theresa Katherine

Edge effects are among the most serious threats to forest integrity because as global forest cover decreases overall, forest edge influence increases proportionally, driving habitat change and loss. Edge effects occur at the division between adjacent habitat types. Our understanding of edge effects comes mainly from tropical wet, temperate and boreal forests. Because forest structure in moisture-limited forests differs from wetter forest types, edge dynamics are likely to differ as well. Moreover, dry forests in the tropics have been nearly eliminated or exist only as forest fragments, making edge influence an important conservation and management concern for remaining dry forests. This study addresses this gap in the edge influence knowledge by examining created, regenerating edges associated with forest management in a seasonally dry pine-oak forest of Oaxaca, creating a new data point in edge effects research. In this study I used Landsat TM imagery and a modified semivariance analysis to estimate the distance of edge influence for vegetation. I also used field methods to characterize forest structure and estimate edge influence on canopy and subcanopy vegetation. To finalize the project I extended the study to bird assemblages to identify responses and habitat preferences to local-scale changes associated with regenerating edges created by group-selection timber harvest. Remote sensing analysis estimated that the distance of edge influence was 30-90 m from the edge. Vegetation analysis suggested that edge effects were weak relative to wetter forest types and that remote sensing data did not provide an estimate that was directly applicable to field-measured vegetative edge effects. The bird assemblages likewise responded weakly to habitat change associated with edge effect. Open canopy structure, simple vertical stratigraphy, and topographic variation create forest conditions in which small openings do not create a high contrast to undisturbed forest. Thus, in this seasonally dry, open forest, vegetation and bird communities respond less to small openings than they do in wetter, more closed-canopy forests. Management practices and historical land-use interact and interfere with the detectability of edge influence in our study area. These results support hypotheses proposed for open forest types and suggest that patterns in edge influence in wet forest types may not be applicable to dry sites.

Nitrogen K-edge x-ray absorption near edge structure of pyrimidine-containing nucleotides in aqueous solution

NASA Astrophysics Data System (ADS)

Shimada, Hiroyuki; Minami, Hirotake; Okuizumi, Naoto; Sakuma, Ichiro; Ukai, Masatoshi; Fujii, Kentaro; Yokoya, Akinari; Fukuda, Yoshihiro; Saitoh, Yuji

2015-05-01

X-ray absorption near edge structure (XANES) was measured at energies around the N K-edge of the pyrimidine-containing nucleotides, cytidine 5'-monophosphate (CMP), 2'-deoxythymidine 5'-monophosphate (dTMP), and uridine 5'-monophosphate (UMP), in aqueous solutions and in dried films under various pH conditions. The features of resonant excitations below the N K-edge in the XANES spectra for CMP, dTMP, and UMP changed depending on the pH of the solutions. The spectral change thus observed is systematically explained by the chemical shift of the core-levels of N atoms in the nucleobase moieties caused by structural changes due to protonation or deprotonation at different proton concentrations. This interpretation is supported by the results of theoretical calculations using density functional theory for the corresponding nucleobases in the neutral and protonated or deprotonated forms.

Nitrogen K-edge x-ray absorption near edge structure of pyrimidine-containing nucleotides in aqueous solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shimada, Hiroyuki, E-mail: hshimada@cc.tuat.ac.jp; Minami, Hirotake; Okuizumi, Naoto

2015-05-07

X-ray absorption near edge structure (XANES) was measured at energies around the N K-edge of the pyrimidine-containing nucleotides, cytidine 5′-monophosphate (CMP), 2′-deoxythymidine 5′-monophosphate (dTMP), and uridine 5′-monophosphate (UMP), in aqueous solutions and in dried films under various pH conditions. The features of resonant excitations below the N K-edge in the XANES spectra for CMP, dTMP, and UMP changed depending on the pH of the solutions. The spectral change thus observed is systematically explained by the chemical shift of the core-levels of N atoms in the nucleobase moieties caused by structural changes due to protonation or deprotonation at different proton concentrations.more » This interpretation is supported by the results of theoretical calculations using density functional theory for the corresponding nucleobases in the neutral and protonated or deprotonated forms.« less

Sharp Refractory Composite Leading Edges on Hypersonic Vehicles

NASA Technical Reports Server (NTRS)

Walker, Sandra P.; Sullivan, Brian J.

2003-01-01

On-going research of advanced sharp refractory composite leading edges for use on hypersonic air-breathing vehicles is presented in this paper. Intense magnitudes of heating and of heating gradients on the leading edge lead to thermal stresses that challenge the survivability of current material systems. A fundamental understanding of the problem is needed to further design development. Methodology for furthering the technology along with the use of advanced fiber architectures to improve the thermal-structural response is explored in the current work. Thermal and structural finite element analyses are conducted for several advanced fiber architectures of interest. A tailored thermal shock parameter for sharp orthotropic leading edges is identified for evaluating composite material systems. The use of the tailored thermal shock parameter has the potential to eliminate the need for detailed thermal-structural finite element analyses for initial screening of material systems being considered for a leading edge component.

Stacked 3D RRAM Array with Graphene/CNT as Edge Electrodes

PubMed Central

Bai, Yue; Wu, Huaqiang; Wang, Kun; Wu, Riga; Song, Lin; Li, Tianyi; Wang, Jiangtao; Yu, Zhiping; Qian, He

2015-01-01

There are two critical challenges which determine the array density of 3D RRAM: 1) the scaling limit in both horizontal and vertical directions; 2) the integration of selector devices in 3D structure. In this work, we present a novel 3D RRAM structure using low-dimensional materials, including 2D graphene and 1D carbon nanotube (CNT), as the edge electrodes. A two-layer 3D RRAM with monolayer graphene as edge electrode is demonstrated. The electrical results reveal that the RRAM devices could switch normally with this very thin edge electrode at nanometer scale. Meanwhile, benefited from the asymmetric carrier transport induced by Schottky barrier at metal/CNT and oxide/CNT interfaces, a selector built-in 3D RRAM structure using CNT as edge electrode is successfully fabricated and characterized. Furthermore, the discussion of high array density potential is presented. PMID:26348797

Stacked 3D RRAM Array with Graphene/CNT as Edge Electrodes.

PubMed

Bai, Yue; Wu, Huaqiang; Wang, Kun; Wu, Riga; Song, Lin; Li, Tianyi; Wang, Jiangtao; Yu, Zhiping; Qian, He

2015-09-08

There are two critical challenges which determine the array density of 3D RRAM: 1) the scaling limit in both horizontal and vertical directions; 2) the integration of selector devices in 3D structure. In this work, we present a novel 3D RRAM structure using low-dimensional materials, including 2D graphene and 1D carbon nanotube (CNT), as the edge electrodes. A two-layer 3D RRAM with monolayer graphene as edge electrode is demonstrated. The electrical results reveal that the RRAM devices could switch normally with this very thin edge electrode at nanometer scale. Meanwhile, benefited from the asymmetric carrier transport induced by Schottky barrier at metal/CNT and oxide/CNT interfaces, a selector built-in 3D RRAM structure using CNT as edge electrode is successfully fabricated and characterized. Furthermore, the discussion of high array density potential is presented.

Genetic structure of tree and shrubby species among anthropogenic edges, natural edges, and interior of an atlantic forest fragment.

PubMed

Ramos, Flavio Nunes; de Lima, Paula Feliciano; Zucchi, Maria Imaculada; Colombo, Carlos Augusto; Solferini, Vera Nisaka

2010-04-01

Two species, Psychotria tenuinervis (shrub, Rubiaceae) and Guarea guidonia (tree, Meliaceae), were used as models to compare the genetic structure of tree and shrubby species among natural edges, anthropogenic edges, and a fragment interior. There were significant differences between two genetic markers. For isozymes, P. tenuinervis presented greater heterozygosity (expected and observed) and a higher percentage of polymorphic loci and median number of alleles than G. guidonia. For microsatellites, there was no difference in genetic variability between the species. Only P. tenuinervis, for isozymes, showed differences in genetic variability among the three habitats. There was no genetic structure (F (ST) < 0.05) among habitats in both plant species for both genetic markers. Isozymes showed great endogamy for both plant species, but not microsatellites. The forest fragmentation may have negative effects on both spatial (among edges and interior) and temporal genetic variability.

Sequences required for transcription termination at the intrinsic lambdatI terminator.

PubMed

Martínez-Trujillo, Miguel; Sánchez-Trujillo, Alejandra; Ceja, Víctor; Avila-Moreno, Federico; Bermúdez-Cruz, Rosa María; Court, Donald; Montañez, Cecilia

2010-02-01

The lambdatI terminator is located approximately 280 bp beyond the lambdaint gene, and it has a typical structure of an intrinsic terminator. To identify sequences required for lambdatI transcription termination a set of deletion mutants were generated, either from the 5' or the 3' end onto the lambdatI region. The termination efficiency was determined by measuring galactokinase (galK) levels by Northern blot assays and by in vitro transcription termination. The importance of the uridines and the stability of the stem structure in the termination were demonstrated. The nontranscribed DNA beyond the 3' end also affects termination. Additionally, sequences upstream have a small effect on transcription termination. The in vivo RNA termination sites at lambdatI were determined by S1 mapping and were located at 8 different positions. Processing of transcripts from the 3' end confirmed the importance of the hairpin stem in protection against exonuclease.

Fabrication of Silicon Backshort Assembly for Waveguide-Coupled Superconducting Detectors

NASA Technical Reports Server (NTRS)

Crowe, E.; Bennett, C. L.; Chuss, D. T.; Denis, K. L.; Eimer, J.; Lourie, N.; Marriage, T.; Moseley, S. H.; Rostem, K.; Stevenson, T. R.;

X-ray Absorption and Emission Spectroscopy of CrIII (Hydr)Oxides: Analysis of the K-Pre-Edge Region

NASA Astrophysics Data System (ADS)

Frommer, Jakob; Nachtegaal, Maarten; Czekaj, Izabela; Weng, Tsu-Chien; Kretzschmar, Ruben

2009-10-01

Pre-edge spectral features below the main X-ray absorption K-edge of transition metals show a pronounced chemical sensitivity and are promising sources of structural information. Nevertheless, the use of pre-edge analysis in applied research is limited because of the lack of definite theoretical peak-assignments. The aim of this study was to determine the factors affecting the chromium K-pre-edge features in trivalent chromium-bearing oxides and oxyhydroxides. The selected phases varied in the degree of octahedral polymerization and the degree of iron-for-chromium substitution in the crystal structure. We investigated the pre-edge fine structure by means of high-energy-resolution fluorescence detected X-ray absorption spectroscopy and by 1s2p resonant X-ray emission spectroscopy. Multiplet theory and full multiple-scattering calculations were used to analyze the experimental data. We show that the chromium K-pre-edge contains localized and nonlocalized transitions. Contributions arising from nonlocalized metal-metal transitions are sensitive to the nearest metal type and to the linkage mode between neighboring metal octahedra. Analyzing these transitions opens up new opportunities for investigating the local coordination environment of chromium in poorly ordered solids of environmental relevance.

Magnetic Reconnection in the Heliospheric Current Sheet: The Implications of the Different Environments Seen by the VoyagerSpacecraft

NASA Astrophysics Data System (ADS)

Swisdak, M. M.; Drake, J. F.; Opher, M.

2014-12-01

The magnetic field abutting the heliospheric current sheet (HCS) is primarily in the azimuthal direction, either east-to-west or west-to-east. Mis-alignment of the solar rotational and magnetic axesleads to the characteristic ballerina-skirt shape of the HCS and during the solar cycle there can be large excursions in the sheet's latitudinal extent. Voyager 2's observations of energetic electrondropouts are related to its crossing of this boundary. Magnetic reconnection is also thought to occur as the HCS compresses and narrows between the termination shock and the heliopause. Near theequator the two HCS field alignments are present in roughly equal amounts, while near the edges the distribution can be considerably skewed. This will lead to substantial differences in the environmentsof the two Voyager spacecraft since Voyager 1 is north of the equator, but firmly in the sector region, while Voyager 2 is south of the equator and skirting the edges of the sector region. We presentparticle-in-cell simulations demonstrating the consequences of the reconnection of asymmetric amounts of flux. In particular, we will discuss Voyager 2's remaining time in the heliosphere -- including theimplications for the solar wind velocity, energetic particle transport, and the expected structure of Voyager 2's heliopause crossing -- and compare it with the data collected from Voyager 1.

Edge-induced Schottky barrier modulation at metal contacts to exfoliated molybdenum disulfide flakes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nouchi, Ryo, E-mail: r-nouchi@21c.osakafu-u.ac.jp

2016-08-14

Ultrathin two-dimensional semiconductors obtained from layered transition-metal dichalcogenides such as molybdenum disulfide (MoS{sub 2}) are promising for ultimately scaled transistors beyond Si. Although the shortening of the semiconductor channel is widely studied, the narrowing of the channel, which should also be important for scaling down the transistor, has been examined to a lesser degree thus far. In this study, the impact of narrowing on mechanically exfoliated MoS{sub 2} flakes was investigated according to the channel-width-dependent Schottky barrier heights at Cr/Au contacts. Narrower channels were found to possess a higher Schottky barrier height, which is ascribed to the edge-induced band bendingmore » in MoS{sub 2}. The higher barrier heights degrade the transistor performance as a higher electrode-contact resistance. Theoretical analyses based on Poisson's equation showed that the edge-induced effect can be alleviated by a high dopant impurity concentration, but this strategy should be limited to channel widths of roughly 0.7 μm because of the impurity-induced charge-carrier mobility degradation. Therefore, proper termination of the dangling bonds at the edges should be necessary for aggressive scaling with layered semiconductors.« less

Edge-Based Efficient Search over Encrypted Data Mobile Cloud Storage

PubMed Central

Liu, Fang; Cai, Zhiping; Xiao, Nong; Zhao, Ziming

2018-01-01

Smart sensor-equipped mobile devices sense, collect, and process data generated by the edge network to achieve intelligent control, but such mobile devices usually have limited storage and computing resources. Mobile cloud storage provides a promising solution owing to its rich storage resources, great accessibility, and low cost. But it also brings a risk of information leakage. The encryption of sensitive data is the basic step to resist the risk. However, deploying a high complexity encryption and decryption algorithm on mobile devices will greatly increase the burden of terminal operation and the difficulty to implement the necessary privacy protection algorithm. In this paper, we propose ENSURE (EfficieNt and SecURE), an efficient and secure encrypted search architecture over mobile cloud storage. ENSURE is inspired by edge computing. It allows mobile devices to offload the computation intensive task onto the edge server to achieve a high efficiency. Besides, to protect data security, it reduces the information acquisition of untrusted cloud by hiding the relevance between query keyword and search results from the cloud. Experiments on a real data set show that ENSURE reduces the computation time by 15% to 49% and saves the energy consumption by 38% to 69% per query. PMID:29652810

Edge-Based Efficient Search over Encrypted Data Mobile Cloud Storage.

PubMed

Guo, Yeting; Liu, Fang; Cai, Zhiping; Xiao, Nong; Zhao, Ziming

2018-04-13

Smart sensor-equipped mobile devices sense, collect, and process data generated by the edge network to achieve intelligent control, but such mobile devices usually have limited storage and computing resources. Mobile cloud storage provides a promising solution owing to its rich storage resources, great accessibility, and low cost. But it also brings a risk of information leakage. The encryption of sensitive data is the basic step to resist the risk. However, deploying a high complexity encryption and decryption algorithm on mobile devices will greatly increase the burden of terminal operation and the difficulty to implement the necessary privacy protection algorithm. In this paper, we propose ENSURE (EfficieNt and SecURE), an efficient and secure encrypted search architecture over mobile cloud storage. ENSURE is inspired by edge computing. It allows mobile devices to offload the computation intensive task onto the edge server to achieve a high efficiency. Besides, to protect data security, it reduces the information acquisition of untrusted cloud by hiding the relevance between query keyword and search results from the cloud. Experiments on a real data set show that ENSURE reduces the computation time by 15% to 49% and saves the energy consumption by 38% to 69% per query.

Optical properties of graphene nanoflakes: Shape matters.

PubMed

Mansilla Wettstein, Candela; Bonafé, Franco P; Oviedo, M Belén; Sánchez, Cristián G

2016-06-14

In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNF size, which shows three very distinct trends for different shapes and edge geometries.

Optical properties of graphene nanoflakes: Shape matters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mansilla Wettstein, Candela; Bonafé, Franco P.; Sánchez, Cristián G., E-mail: cgsanchez@fcq.unc.edu.ar

In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNFmore » size, which shows three very distinct trends for different shapes and edge geometries.« less

Electronic structure, magnetic and structural properties of Ni doped ZnO nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Shalendra, E-mail: shailuphy@gmail.com; Vats, Prashant; Gautam, S.

Highlights: • XRD, and HR-TEM results show the single phase nature of Ni doped ZnO nanoparticles. • dc magnetization results indicate the RT-FM in Ni doped ZnO nanoparticles. • Ni L{sub 3,2} edge NEXAFS spectra infer that Ni ions are in +2 valence state. • O K edge NEXAFS spectra show that O vacancy increases with Ni doping in ZnO. - Abstract: We report structural, magnetic and electronic structural properties of Ni doped ZnO nanoparticles prepared by auto-combustion method. The prepared nanoparticles were characterized by using X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), near edge X-ray absorption finemore » structure (NEXAFS) spectroscopy, and dc magnetization measurements. The XRD and HR-TEM results indicate that Ni doped ZnO nanoparticles have single phase nature with wurtzite lattice and exclude the presence of secondary phase. NEXAFS measurements performed at Ni L{sub 3,2}-edges indicates that Ni ions are in +2 valence state and exclude the presence of Ni metal clusters. O K-edge NEXAFS spectra indicate an increase in oxygen vacancies with Ni-doping, while Zn L{sub 3,2}-edge show the absence of Zn-vacancies. The magnetization measurements performed at room temperature shows that pure and Ni doped ZnO exhibits ferromagnetic behavior.« less

Local structure in LaMnO3 and CaMnO3 perovskites: A quantitative structural refinement of Mn K -edge XANES data

NASA Astrophysics Data System (ADS)

Monesi, C.; Meneghini, C.; Bardelli, F.; Benfatto, M.; Mobilio, S.; Manju, U.; Sarma, D. D.

2005-11-01

Hole-doped perovskites such as La1-xCaxMnO3 present special magnetic and magnetotransport properties, and it is commonly accepted that the local atomic structure around Mn ions plays a crucial role in determining these peculiar features. Therefore experimental techniques directly probing the local atomic structure, like x-ray absorption spectroscopy (XAS), have been widely exploited to deeply understand the physics of these compounds. Quantitative XAS analysis usually concerns the extended region [extended x-ray absorption fine structure (EXAFS)] of the absorption spectra. The near-edge region [x-ray absorption near-edge spectroscopy (XANES)] of XAS spectra can provide detailed complementary information on the electronic structure and local atomic topology around the absorber. However, the complexity of the XANES analysis usually prevents a quantitative understanding of the data. This work exploits the recently developed MXAN code to achieve a quantitative structural refinement of the Mn K -edge XANES of LaMnO3 and CaMnO3 compounds; they are the end compounds of the doped manganite series LaxCa1-xMnO3 . The results derived from the EXAFS and XANES analyses are in good agreement, demonstrating that a quantitative picture of the local structure can be obtained from XANES in these crystalline compounds. Moreover, the quantitative XANES analysis provides topological information not directly achievable from EXAFS data analysis. This work demonstrates that combining the analysis of extended and near-edge regions of Mn K -edge XAS spectra could provide a complete and accurate description of Mn local atomic environment in these compounds.

Structural Studies of Geosmin Synthase, a Bifunctional Sesquiterpene Synthase with Alpha-Alpha Domain Architecture that Catalyzes a Unique Cyclization-Fragmentation Reaction Sequence

PubMed Central

Harris, Golda G.; Lombardi, Patrick M.; Pemberton, Travis A.; Matsui, Tsutomu; Weiss, Thomas M.; Cole, Kathryn E.; Köksal, Mustafa; Murphy, Frank V.; Vedula, L. Sangeetha; Chou, Wayne K.W.; Cane, David E.; Christianson, David W.

2015-01-01

Geosmin synthase from Streptomyces coelicolor (ScGS) catalyzes an unusual, metal-dependent terpenoid cyclization and fragmentation reaction sequence. Two distinct active sites are required for catalysis: the N-terminal domain catalyzes the ionization and cyclization of farnesyl diphosphate to form germacradienol and inorganic pyrophosphate (PPi), and the C-terminal domain catalyzes the protonation, cyclization, and fragmentation of germacradienol to form geosmin and acetone through a retro-Prins reaction. A unique αα domain architecture is predicted for ScGS based on amino acid sequence: each domain contains the metal-binding motifs typical of a class I terpenoid cyclase, and each domain requires Mg2+ for catalysis. Here, we report the X-ray crystal structure of the unliganded N-terminal domain of ScGS and the structure of its complex with 3 Mg2+ ions and alendronate. These structures highlight conformational changes required for active site closure and catalysis. Although neither full-length ScGS nor constructs of the C-terminal domain could be crystallized, homology models of the C-terminal domain were constructed based on ~36% sequence identity with the N-terminal domain. Small-angle X-ray scattering experiments yield low resolution molecular envelopes into which the N-terminal domain crystal structure and the C-terminal domain homology model were fit, suggesting possible αα domain architectures as frameworks for bifunctional catalysis. PMID:26598179

Measurement and modeling of intrinsic transcription terminators

PubMed Central

Cambray, Guillaume; Guimaraes, Joao C.; Mutalik, Vivek K.; Lam, Colin; Mai, Quynh-Anh; Thimmaiah, Tim; Carothers, James M.; Arkin, Adam P.; Endy, Drew

2013-01-01

The reliable forward engineering of genetic systems remains limited by the ad hoc reuse of many types of basic genetic elements. Although a few intrinsic prokaryotic transcription terminators are used routinely, termination efficiencies have not been studied systematically. Here, we developed and validated a genetic architecture that enables reliable measurement of termination efficiencies. We then assembled a collection of 61 natural and synthetic terminators that collectively encode termination efficiencies across an ∼800-fold dynamic range within Escherichia coli. We simulated co-transcriptional RNA folding dynamics to identify competing secondary structures that might interfere with terminator folding kinetics or impact termination activity. We found that structures extending beyond the core terminator stem are likely to increase terminator activity. By excluding terminators encoding such context-confounding elements, we were able to develop a linear sequence-function model that can be used to estimate termination efficiencies (r = 0.9, n = 31) better than models trained on all terminators (r = 0.67, n = 54). The resulting systematically measured collection of terminators should improve the engineering of synthetic genetic systems and also advance quantitative modeling of transcription termination. PMID:23511967

The C-terminal region of Ge-1 presents conserved structural features required for P-body localization.

PubMed

Jinek, Martin; Eulalio, Ana; Lingel, Andreas; Helms, Sigrun; Conti, Elena; Izaurralde, Elisa

2008-10-01

The removal of the 5' cap structure by the DCP1-DCP2 decapping complex irreversibly commits eukaryotic mRNAs to degradation. In human cells, the interaction between DCP1 and DCP2 is bridged by the Ge-1 protein. Ge-1 contains an N-terminal WD40-repeat domain connected by a low-complexity region to a conserved C-terminal domain. It was reported that the C-terminal domain interacts with DCP2 and mediates Ge-1 oligomerization and P-body localization. To understand the molecular basis for these functions, we determined the three-dimensional crystal structure of the most conserved region of the Drosophila melanogaster Ge-1 C-terminal domain. The region adopts an all alpha-helical fold related to ARM- and HEAT-repeat proteins. Using structure-based mutants we identified an invariant surface residue affecting P-body localization. The conservation of critical surface and structural residues suggests that the C-terminal region adopts a similar fold with conserved functions in all members of the Ge-1 protein family.

Apparatus for integrating a rigid structure into a flexible wall of an inflatable structure

NASA Technical Reports Server (NTRS)

Johnson, Christopher J. (Inventor); Patterson, Ross M. (Inventor); Spexarth, Gary R. (Inventor)

2009-01-01

For an inflatable structure having a flexible outer shell or wall structure having a flexible restraint layer comprising interwoven, load-bearing straps, apparatus for integrating one or more substantially rigid members into the flexible shell. For each rigid member, a corresponding opening is formed through the flexible shell for receiving the rigid member. A plurality of connection devices are mounted on the rigid member for receiving respective ones of the load-bearing straps. In one embodiment, the connection devices comprise inner connecting mechanisms and outer connecting mechanisms, the inner and outer connecting mechanisms being mounted on the substantially rigid structure and spaced along a peripheral edge portion of the structure in an interleafed array in which respective outer connecting mechanisms are interposed between adjacent pairs of inner connecting mechanisms, the outer connecting mechanisms projecting outwardly from the peripheral edge portion of the substantially rigid structure beyond the adjacent inner connecting mechanisms to form a staggered array of connecting mechanisms extending along the panel structure edge portion. In one embodiment, the inner and outer connecting mechanisms form part of an integrated, structure rotatably mounted on the rigid member peripheral edge portion.

Cellulose synthase (CesA) genes in the green alga Mesotaenium caldariorum.

PubMed

Roberts, Alison W; Roberts, Eric M; Delmer, Deborah P

2002-12-01

Cellulose, a microfibrillar polysaccharide consisting of bundles of beta-1,4-glucan chains, is a major component of plant and most algal cell walls and is also synthesized by some prokaryotes. Seed plants and bacteria differ in the structures of their membrane terminal complexes that make cellulose and, in turn, control the dimensions of the microfibrils produced. They also differ in the domain structures of their CesA gene products (the catalytic subunit of cellulose synthase), which have been localized to terminal complexes and appear to help maintain terminal complex structure. Terminal complex structures in algae range from rosettes (plant-like) to linear forms (bacterium-like). Thus, algal CesA genes may reveal domains that control terminal complex assembly and microfibril structure. The CesA genes from the alga Mesotaenium caldariorum, a member of the order Zygnematales, which have rosette terminal complexes, are remarkably similar to seed plant CesAs, with deduced amino acid sequence identities of up to 59%. In addition to the putative transmembrane helices and the D-D-D-QXXRW motif shared by all known CesA gene products, M. caldariorum and seed plant CesAs share a region conserved among plants, an N-terminal zinc-binding domain, and a variable or class-specific region. This indicates that the domains that characterize seed plant CesAs arose prior to the evolution of land plants and may play a role in maintaining the structures of rosette terminal complexes. The CesA genes identified in M. caldariorum are the first reported for any eukaryotic alga and will provide a basis for analyzing the CesA genes of algae with different types of terminal complexes.

Reduction of the RCS of the leading edge of a conducting wing-shaped structure by means of lossless dielectric material

NASA Astrophysics Data System (ADS)

Booysen, A. J.; Pistorius, C. W. I.; Malherbe, J. A. G.

1991-06-01

The radar cross section of the leading edge of a conducting wing-shaped structure is reduced by replacing part of the structure with a lossless dielectric material. The structure retains its original external shape, thereby ensuring that the aerodynamic properties are not altered by the structural changes needed to reduce the radar cross section.

Crystal structure and electronic states of Co and Gd ions in a Gd0.4Sr0.6CoO2.85 single crystal

NASA Astrophysics Data System (ADS)

Platunov, M. S.; Dudnikov, V. A.; Orlov, Yu. S.; Kazak, N. V.; Solovyov, L. A.; Zubavichus, Ya. V.; Veligzhanin, A. A.; Dorovatovskii, P. V.; Vereshchagin, S. N.; Shaykhutdinov, K. A.; Ovchinnikov, S. G.

2016-02-01

X-ray diffraction and X-ray absorption near edge structure (XANES) spectra have been measured at the Co K-edge and Gd L 3-edge in GdCoO3 and Gd0.4Sr0.6CoO2.85 cobaltites. The effect of Sr substitution on the crystal structure and electronic and magnetic states of Co3+ ions in a Gd0.4Sr0.6CoO2.85 single crystal has been analyzed. The XANES measurements at the Co K-edge have not showed a noticeable shift of the absorption edge with an increase in the concentration of Sr. This indicates that the effective valence of cobalt does not change. An increase in the intensity of absorption at the Gd L 3-edge is due to an increase in the degree of hybridization of the Gd(5 d) and O(2 p) states. The effect of hole doping on the magnetic properties results in the appearance of the ferromagnetic component and in a significant increase in the magnetic moment.

Structural design of morphing trailing edge actuated by SMA

NASA Astrophysics Data System (ADS)

Wang, Qi; Xu, Zhiwei; Zhu, Qian

2013-09-01

In this paper, the morphing trailing edge is designed to achieve the up and down deflection under the aerodynamic load. After a detailed and accurate computational analysis to determine the SMA specifications and layout programs, a solid model is created in CATIA and the structures of the morphing wing trailing edge are produced by CNC machining. A set of DSP measurement and control system is designed to accomplish the controlling experiment of the morphing wing trailing edge. At last, via the force analysis, the trailing edge is fabricated with four sections of aluminum alloy, and the arrangement scheme of SMA wires is determined. Experiment of precise control integral has been performed to survey the control effect. The experiment consists of deflection angle tests of the third joint and the integral structure. Primarily, the ultimate deflection angle is tested in these two experiments. Therefore, the controlling experiment of different angles could be performed within this range. The results show that the deflection error is less than 4%and response time is less than 6.7 s, the precise controlling of the morphing trailing edge is preliminary realized.

Structural evolution dynamics in fusion of sumanenes and corannulenes: defects formation and self-healing mechanism

NASA Astrophysics Data System (ADS)

Sorkin, Anastassia; Su, Haibin

2018-06-01

The fusion processes of structures consisting of various combinations between sumanene and corannulene, leading to the formation of graphene nanoribbons (GNRs) under heating are simulated by density-functional-based tight-binding molecular dynamics. Distinct stages are unraveled in the course of GNR formation. Firstly, the carbon fragments coalescence into highly strained framework. Secondly, structural reconstruction invokes breaking most strained bonds to form a GNR structure containing numerous defects. Lastly, defects are remedied by the delicate ‘edge-facilitated self-healing’ process through two synergized edge-related effects: elevated mobility of defects and promoted structure reconstructions owing to the remarkable dynamics associated with edges. Importantly, detailed dynamics in the course of forming GNRs with defects and grain boundaries simulated in this work is valuable to provide better understanding at the atomistic scale of defect formation as well as self-healing in the context of the sp2 carbon network. In particular, edges play important roles in not only generating Stone–Wales (SW), 5-8-5 types of defects, 8-5-5-8 and pentagon–heptagon grain boundaries. In addition, our simulations predict the existence of one novel defect, coined as the Inverse SW defect, which is to be confirmed in future experimental studies. This study of dynamic structural evolution reveals that edges are prone to intrinsic and extrinsic modifications such as atomic-scale defects, structural distortions and inhomogeneity.

Link Prediction in Evolving Networks Based on Popularity of Nodes.

PubMed

Wang, Tong; He, Xing-Sheng; Zhou, Ming-Yang; Fu, Zhong-Qian

2017-08-02

Link prediction aims to uncover the underlying relationship behind networks, which could be utilized to predict missing edges or identify the spurious edges. The key issue of link prediction is to estimate the likelihood of potential links in networks. Most classical static-structure based methods ignore the temporal aspects of networks, limited by the time-varying features, such approaches perform poorly in evolving networks. In this paper, we propose a hypothesis that the ability of each node to attract links depends not only on its structural importance, but also on its current popularity (activeness), since active nodes have much more probability to attract future links. Then a novel approach named popularity based structural perturbation method (PBSPM) and its fast algorithm are proposed to characterize the likelihood of an edge from both existing connectivity structure and current popularity of its two endpoints. Experiments on six evolving networks show that the proposed methods outperform state-of-the-art methods in accuracy and robustness. Besides, visual results and statistical analysis reveal that the proposed methods are inclined to predict future edges between active nodes, rather than edges between inactive nodes.

Effects of the Terminal Structure, Purity, and Molecular Weight of an Amorphous Conjugated Polymer on Its Photovoltaic Characteristics.

PubMed

Kuwabara, Junpei; Yasuda, Takeshi; Takase, Naoto; Kanbara, Takaki

2016-01-27

The photovoltaic characteristics of an amorphous polymer containing EDOT and fluorene units were investigated. In particular, the effects of the terminal structure, residual amount of Pd, and molecular weight were systematically investigated. Direct arylation polycondensation of EDOT followed by an established purification method readily afforded polymers with different terminal structures, Pd contents, and molecular weights. Of these factors, the terminal structure of the polymer was a crucial factor affecting the photovoltaic characteristics. For example, the polymer with a Br terminal had a PCE of 2.9% in bulk-heterojunction organic photovoltaics (BHJ OPVs) with a fullerene derivative, whereas the polymer without a Br terminal had a PCE of 4.6% in the same cell configuration. The decreased Pd residues and high molecular weights of the polymers increased the long-term stability of the devices. Moreover, BHJ OPVs containing the high-molecular-weight polymer could be fabricated with an environmentally friendly nonhalogenated solvent.

Nonlinear reconnecting edge localized modes in current-carrying plasmas

DOE PAGES

Ebrahimi, F.

2017-05-22

Nonlinear edge localized modes in a tokamak are examined using global three-dimensional resistive magnetohydrodynamics simulations. Coherent current-carrying filament (ribbon-like) structures wrapped around the torus are nonlinearly formed due to nonaxisymmetric reconnecting current sheet instabilities, the so-called peeling-like edge localized modes. These fast growing modes saturate by breaking axisymmetric current layers isolated near the plasma edge and go through repetitive relaxation cycles by expelling current radially outward and relaxing it back. The local bidirectional fluctuation-induced electromotive force (emf) from the edge localized modes, the dynamo action, relaxes the axisymmetric current density and forms current holes near the edge. Furthermore, the three-dimensionalmore » coherent current-carrying filament structures (sometimes referred to as 3-D plasmoids) observed here should also have strong implications for solar and astrophysical reconnection.« less

Characterization of local atomic structure in Co/Zn based ZIFs by XAFS

NASA Astrophysics Data System (ADS)

Podkovyrina, Yulia; Butova, Vera; Bulanova, Elena; Budnyk, Andriy; Kremennaya, Maria; Soldatov, Alexander; Lamberti, Carlo

2018-03-01

The local atomic structure in bimetallic Co/Zn zeolitic imidazolate frameworks (ZIFs) was studied using X-ray Absorption Fine Structure (XAFS) spectroscopy and theoretical calculations. The experimental Co K-edge and Zn K-edge XANES (X-ray Absorption Near Edge Structure) spectra of Zn1-xCoxC8H10N4 samples (x = 0.05, 0.25, 0.75) synthesized by microwave synthesis were compared with the data for the ZIF-67 (x=1) and ZIF-8 (x=0). Theoretical XANES spectra for the bimetallic ZIFs were calculated. It was shown that in bimetallic ZIFs the Co and Zn atoms have the similar local environment.

Replica Exchange Simulations of the Thermodynamics of Aβ Fibril Growth

PubMed Central

Takeda, Takako; Klimov, Dmitri K.

2009-01-01

Abstract Replica exchange molecular dynamics and an all-atom implicit solvent model are used to probe the thermodynamics of deposition of Alzheimer's Aβ monomers on preformed amyloid fibrils. Consistent with the experiments, two deposition stages have been identified. The docking stage occurs over a wide temperature range, starting with the formation of the first peptide-fibril interactions at 500 K. Docking is completed when a peptide fully adsorbs on the fibril edge at the temperature of 380 K. The docking transition appears to be continuous, and occurs without free energy barriers or intermediates. During docking, incoming Aβ monomer adopts a disordered structure on the fibril edge. The locking stage occurs at the temperature of ≈360 K and is characterized by the rugged free energy landscape. Locking takes place when incoming Aβ peptide forms a parallel β-sheet structure on the fibril edge. Because the β-sheets formed by locked Aβ peptides are typically off-registry, the structure of the locked phase differs from the structure of the fibril interior. The study also reports that binding affinities of two distinct fibril edges with respect to incoming Aβ peptides are different. The peptides bound to the concave edge have significantly lower free energy compared to those bound on the convex edge. Comparison with the available experimental data is discussed. PMID:19167295

Object-Based Dense Matching Method for Maintaining Structure Characteristics of Linear Buildings

PubMed Central

Yan, Yiming; Qiu, Mingjie; Zhao, Chunhui; Wang, Liguo

2018-01-01

In this paper, we proposed a novel object-based dense matching method specially for the high-precision disparity map of building objects in urban areas, which can maintain accurate object structure characteristics. The proposed framework mainly includes three stages. Firstly, an improved edge line extraction method is proposed for the edge segments to fit closely to building outlines. Secondly, a fusion method is proposed for the outlines under the constraint of straight lines, which can maintain the building structural attribute with parallel or vertical edges, which is very useful for the dense matching method. Finally, we proposed an edge constraint and outline compensation (ECAOC) dense matching method to maintain building object structural characteristics in the disparity map. In the proposed method, the improved edge lines are used to optimize matching search scope and matching template window, and the high-precision building outlines are used to compensate the shape feature of building objects. Our method can greatly increase the matching accuracy of building objects in urban areas, especially at building edges. For the outline extraction experiments, our fusion method verifies the superiority and robustness on panchromatic images of different satellites and different resolutions. For the dense matching experiments, our ECOAC method shows great advantages for matching accuracy of building objects in urban areas compared with three other methods. PMID:29596393

Structural basis for substrate recognition by the human N-terminal methyltransferase 1

DOE PAGES

Dong, Cheng; Mao, Yunfei; Tempel, Wolfram; ...

2015-11-05

α-N-terminal methylation represents a highly conserved and prevalent post-translational modification, yet its biological function has remained largely speculative. The recent discovery of α-N-terminal methyltransferase 1 (NTMT1) and its physiological substrates propels the elucidation of a general role of α-N-terminal methylation in mediating DNA-binding ability of the modified proteins. The phenotypes, observed from both NTMT1 knockdown in breast cancer cell lines and knockout mouse models, suggest the potential involvement of α-N-terminal methylation in DNA damage response and cancer development. In this study, we report the first crystal structures of human NTMT1 in complex with cofactor S-adenosyl-L-homocysteine (SAH) and six substrate peptides,more » respectively, and reveal that NTMT1 contains two characteristic structural elements (a β hairpin and an N-terminal extension) that contribute to its substrate specificity. Our complex structures, coupled with mutagenesis, binding, and enzymatic studies, also present the key elements involved in locking the consensus substrate motif XPK (X indicates any residue type other than D/E) into the catalytic pocket for α-N-terminal methylation and explain why NTMT1 prefers an XPK sequence motif. We propose a catalytic mechanism for α-N-terminal methylation. Overall, this study gives us the first glimpse of the molecular mechanism of α-N-terminal methylation and potentially contributes to the advent of therapeutic agents for human diseases associated with deregulated α-N-terminal methylation.« less

Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons

PubMed Central

Tan, Yuan-Zhi; Yang, Bo; Parvez, Khaled; Narita, Akimitsu; Osella, Silvio; Beljonne, David; Feng, Xinliang; Müllen, Klaus

2013-01-01

Chemical functionalization is one of the most powerful and widely used strategies to control the properties of nanomaterials, particularly in the field of graphene. However, the ill-defined structure of the present functionalized graphene inhibits atomically precise structural characterization and structure-correlated property modulation. Here we present a general edge chlorination protocol for atomically precise functionalization of nanographenes at different scales from 1.2 to 3.4 nm and its application in graphene nanoribbons. The well-defined edge chlorination is unambiguously confirmed by X-ray single-crystal analysis, which also discloses the characteristic non-planar molecular shape and detailed bond lengths of chlorinated nanographenes. Chlorinated nanographenes and graphene nanoribbons manifest enhanced solution processability associated with decreases in the optical band gap and frontier molecular orbital energy levels, exemplifying the structure-correlated property modulation by precise edge chlorination. PMID:24212200

Structural Dynamics Investigation of Human Family 1 & 2 Cystatin-Cathepsin L1 Interaction: A Comparison of Binding Modes.

PubMed

Nandy, Suman Kumar; Seal, Alpana

2016-01-01

Cystatin superfamily is a large group of evolutionarily related proteins involved in numerous physiological activities through their inhibitory activity towards cysteine proteases. Despite sharing the same cystatin fold, and inhibiting cysteine proteases through the same tripartite edge involving highly conserved N-terminal region, L1 and L2 loop; cystatins differ widely in their inhibitory affinity towards C1 family of cysteine proteases and molecular details of these interactions are still elusive. In this study, inhibitory interactions of human family 1 & 2 cystatins with cathepsin L1 are predicted and their stability and viability are verified through protein docking & comparative molecular dynamics. An overall stabilization effect is observed in all cystatins on complex formation. Complexes are mostly dominated by van der Waals interaction but the relative participation of the conserved regions varied extensively. While van der Waals contacts prevail in L1 and L2 loop, N-terminal segment chiefly acts as electrostatic interaction site. In fact the comparative dynamics study points towards the instrumental role of L1 loop in directing the total interaction profile of the complex either towards electrostatic or van der Waals contacts. The key amino acid residues surfaced via interaction energy, hydrogen bonding and solvent accessible surface area analysis for each cystatin-cathepsin L1 complex influence the mode of binding and thus control the diverse inhibitory affinity of cystatins towards cysteine proteases.

An Improved MUSIC Model for Gibbsite Surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mitchell, Scott C.; Bickmore, Barry R.; Tadanier, Christopher J.

2004-06-01

Here we use gibbsite as a model system with which to test a recently published, bond-valence method for predicting intrinsic pKa values for surface functional groups on oxides. At issue is whether the method is adequate when valence parameters for the functional groups are derived from ab initio structure optimization of surfaces terminated by vacuum. If not, ab initio molecular dynamics (AIMD) simulations of solvated surfaces (which are much more computationally expensive) will have to be used. To do this, we had to evaluate extant gibbsite potentiometric titration data that where some estimate of edge and basal surface area wasmore » available. Applying BET and recently developed atomic force microscopy methods, we found that most of these data sets were flawed, in that their surface area estimates were probably wrong. Similarly, there may have been problems with many of the titration procedures. However, one data set was adequate on both counts, and we applied our method of surface pKa int prediction to fitting a MUSIC model to this data with considerable success—several features of the titration data were predicted well. However, the model fit was certainly not perfect, and we experienced some difficulties optimizing highly charged, vacuum-terminated surfaces. Therefore, we conclude that we probably need to do AIMD simulations of solvated surfaces to adequately predict intrinsic pKa values for surface functional groups.« less

Versatile platform for nanotechnology based on circular permutations of chaperonin protein

NASA Technical Reports Server (NTRS)

McMillan, R. Andrew (Inventor); Kagawa, Hiromi (Inventor); Paavola, Chad D. (Inventor); Chan, Suzanne L. (Inventor); Li, Yi-Fen (Inventor); Trent, Jonathan D. (Inventor)

2010-01-01

The present invention provides chaperonin polypeptides which are modified to include N-terminal and C-terminal ends that are relocated from the central pore region to various different positions in the polypeptide which are located on the exterior of the folded modified chaperonin polypeptide. In the modified chaperonin polypeptide, the naturally-occurring N-terminal and C-terminal ends are joined together directly or with an intervening linker peptide sequence. The relocated N-terminal or C-terminal ends can be covalently joined to, or bound with another molecule such as a nucleic acid molecule, a lipid, a carbohydrate, a second polypeptide, or a nanoparticle. The modified chaperonin polypeptides can assemble into double-ringed chaperonin structures. Further, the chaperonin structures can organize into higher order structures such as nanofilaments or nanoarrays which can be used to produce nanodevices and nanocoatings.

Effect of Fe-substitution on the structure and magnetism of single crystals Mn2-xFexBO4

NASA Astrophysics Data System (ADS)

Platunov, M. S.; Kazak, N. V.; Knyazev, Yu. V.; Bezmaternykh, L. N.; Moshkina, E. M.; Trigub, A. L.; Veligzhanin, A. A.; Zubavichus, Y. V.; Solovyov, L. A.; Velikanov, D. A.; Ovchinnikov, S. G.

2017-10-01

Single crystalline Mn2-xFexBO4 with x = 0.3, 0.5, 0.7 grown by the flux method have been studied by means of X-ray diffraction and X-ray absorption spectroscopy at both Mn and Fe K edges. The compounds were found to crystallize in an orthorhombic warwickite structure (sp. gr. Pnam). The lattice parameters change linearly with x thus obeying the Vegard's law. The Fe3+ substitution for Mn3+ has been deduced from the X-ray absorption near-edge structure (XANES) spectra. Two energy positions of the absorption edges have been observed in Mn K-edge XANES spectra indicating the presence of manganese in two different oxidation states. Extended X-ray absorption fine structure (EXAFS) analysis has shown the reduction of local structural distortions upon Fe substitution. The magnetization data have revealed a spin-glass transition at TSG = 11, 14 and 18 K for x = 0.3, 0.5 and 0.7, respectively.

Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins

PubMed Central

Sitar, Tomasz; Popowicz, Grzegorz M.; Siwanowicz, Igor; Huber, Robert; Holak, Tad A.

2006-01-01

Insulin-like growth factor-binding proteins (IGFBPs) control bioavailability, activity, and distribution of insulin-like growth factor (IGF)1 and -2 through high-affinity IGFBP/IGF complexes. IGF-binding sites are found on N- and C-terminal fragments of IGFBPs, the two conserved domains of IGFBPs. The relative contributions of these domains to IGFBP/IGF complexation has been difficult to analyze, in part, because of the lack of appropriate three-dimensional structures. To analyze the effects of N- and C-terminal domain interactions, we determined several x-ray structures: first, of a ternary complex of N- and C-terminal domain fragments of IGFBP4 and IGF1 and second, of a “hybrid” ternary complex using the C-terminal domain fragment of IGFBP1 instead of IGFBP4. We also solved the binary complex of the N-terminal domains of IGFBP4 and IGF1, again to analyze C- and N-terminal domain interactions by comparison with the ternary complexes. The structures reveal the mechanisms of IGF signaling regulation via IGFBP binding. This finding supports research into the design of IGFBP variants as therapeutic IGF inhibitors for diseases of IGF disregulation. In IGFBP4, residues 1–38 form a rigid disulphide bond ladder-like structure, and the first five N-terminal residues bind to IGF and partially mask IGF residues responsible for the type 1 IGF receptor binding. A high-affinity IGF1-binding site is located in a globular structure between residues 39 and 82. Although the C-terminal domains do not form stable binary complexes with either IGF1 or the N-terminal domain of IGFBP4, in the ternary complex, the C-terminal domain contacts both and contributes to blocking of the IGF1 receptor-binding region of IGF1. PMID:16924115

Structural Health Monitoring Analysis for the Orbiter Wing Leading Edge

NASA Technical Reports Server (NTRS)

Yap, Keng C.

2010-01-01

This viewgraph presentation reviews Structural Health Monitoring Analysis for the Orbiter Wing Leading Edge. The Wing Leading Edge Impact Detection System (WLE IDS) and the Impact Analysis Process are also described to monitor WLE debris threats. The contents include: 1) Risk Management via SHM; 2) Hardware Overview; 3) Instrumentation; 4) Sensor Configuration; 5) Debris Hazard Monitoring; 6) Ascent Response Summary; 7) Response Signal; 8) Distribution of Flight Indications; 9) Probabilistic Risk Analysis (PRA); 10) Model Correlation; 11) Impact Tests; 12) Wing Leading Edge Modeling; 13) Ascent Debris PRA Results; and 14) MM/OD PRA Results.

Spin-dependent electron scattering at graphene edges on Ni(111).

PubMed

Garcia-Lekue, A; Balashov, T; Olle, M; Ceballos, G; Arnau, A; Gambardella, P; Sanchez-Portal, D; Mugarza, A

2014-02-14

We investigate the scattering of surface electrons by the edges of graphene islands grown on Ni(111). By combining local tunneling spectroscopy and ab initio electronic structure calculations we find that the hybridization between graphene and Ni states results in strongly reflecting graphene edges. Quantum interference patterns formed around the islands reveal a spin-dependent scattering of the Shockley bands of Ni, which we attribute to their distinct coupling to bulk states. Moreover, we find a strong dependence of the scattering amplitude on the atomic structure of the edges, depending on the orbital character and energy of the surface states.

Collision mechanics and the structure of planetary ring edges

NASA Technical Reports Server (NTRS)

Spaute, Dominique; Greenberg, Richard

1987-01-01

The present numerical simulation of collisional evolution, in the case of a hypothetical ring whose parameters are modeled after those of Saturn's rings, gives attention to changes in radial structure near the ring edges and notes that when random motion is in equilibrium, the rings tend to spread in order to conserve angular momentum while energy is dissipated in collisions. As long as random motion is damped, ring edges may contract rather than spread, producing a concentration of material at the ring edges. For isotropic scattering, damping dominates for a coefficient of restitution of velocity value of up to 0.83.

The Western Edge of Cratonic North America and Topography of the Northern U.S. Rocky Mountains

NASA Astrophysics Data System (ADS)

Foster, D. A.; Russo, R. M.; van der Lee, S.; Mueller, P. A.

2009-12-01

We used seismic structure of the upper mantle determined via waveform inversions of surface and regional shear waves (Beadle and van der Lee, 2007) to examine the 3-D geometry of the base of North American lithosphere at the junction between thick, stable cratonic eastern North America and the thinner, recently tectonized western part of the continent. This boundary has been affected by long-term subduction beneath North America. Variability in convergence rates and directions, and especially in slab dip, have been postulated as important controls on the configuration of the transition from thick to thin lithosphere, and on the distribution and degree of crustal deformation and volcanism in the western U.S. We show that the lithospheric thickness transition at depths of 70-130 km - defined as contours of zero shear velocity anomaly - correlates strongly with the high topography of Laramide uplifts in the northern Rockies, which lie west of this seismically defined craton edge. The transition from thick to thin lithosphere also includes an embayment symmetrically centered on the Yellowstone hotspot, offset cratonward from the surface position of the hotspot by ca. 140-180 km at depths of 130-150 km. We interpret this structure as a reduction of cratonic seismic velocities reflecting the thermal halo around the hotspot, and perhaps associated with the separation of the lower lithosphere. The steep velocity gradient (boundary) east of the hotspot occurs along the Big Horn Mountains, and distributed mountain ranges of southwestern Montana. The steep transition between thin and thick lithosphere turns sharply west along the northern margin of the Helena thrust salient-Lewis and Clark fault zone, where it may reflect the edge of the Archean Medicine Hat Block and/or the northern termination of the influence shallow Farallon slab subduction the during Laramide time. Laramide-style basement uplifts are absent north of this zone and the eastern front ranges of the Rockies in northern Montana and Alberta are located further west. South of the Yellowstone lithospheric embayment, a westward salient of high seismic velocities at 70-130 km depths coincides with near surface structures along the Cheyenne Belt, possibly representing an accreted relict subduction margin. Relationships between anomalously hot asthenosphere and thin lithosphere are widely supported for the Basin and Range Province. East of this region, the location of the western edge of thick cratonic North American lithosphere and associated transitions from high to lower topography suggests a strong relationship that dates back to Laramide subduction erosion, and subsequent influence on the thermal/chemical modifications to the lithosphere during Cenozoic and Recent times.

Mapping Vegetation Structure in Kakadu National Park: An AIRSAR and GIS Application in Conservation

NASA Technical Reports Server (NTRS)

Imhoff, Marc L.; Sisk, Thomas D.; Hampton, Haydee; Milne, Anthony K.

1999-01-01

Airborne Synthetic Aperture Radar (AIRSAR) data were used to map vegetation structure in Kakadu National Park Australia as part of the PACRIM project. SAR data were co-registered with Landsat TM, aerial photos, and map data in a geographic information system for a small test area consisting of mangrove, floodplain grasslands, lowland tropical evergreen forest and upland mixed deciduous and evergreen tropical forest near the South Alligator River. Landsat (Thematic Mapper) TM very clearly showed the floristic composition and burn scars from the previous years fires and the AIRSAR data provided a profile of vegetation structure. Extensive field data on vegetation species composition and structure were collected across a series of transects in cooperation with a survey of avifauna in an effort to link the habitat edge structure with bird species responses. A test site was found that contained two types of habitat edges: 1) A structure specific edge - characterized by the appearance of a very strong structural change in the forest canopy occurring in the absence of a substantial turnover in floristics. 2) Floristic edge - a sharp transition in vegetation genetic composition with a mixed set of structural changes. Specific polarization combinations were selected that were highly correlated to a set of desired structural parameters found in the field data. Classification routines were employed to group radar pixels into 3 structural classes based on: the Surface Area to Volume ratio (SA/V) of the stems, the SA/V of the branches, and the leaf area index of the canopy. Separate canopy structure maps were then entered into the GIS and bird responses were observed relative to the classes and their boundaries. Follow-on work will consist of extending this approach to neighboring areas, generating structure maps, predicting bird responses across the edges, and make accuracy assessments.

Edge of polar cap patches

NASA Astrophysics Data System (ADS)

Hosokawa, K.; Taguchi, S.; Ogawa, Y.

2016-04-01

On the night of 4 December 2013, a sequence of polar cap patches was captured by an all-sky airglow imager (ASI) in Longyearbyen, Norway (78.1°N, 15.5°E). The 630.0 nm airglow images from the ASI of 4 second exposure time, oversampled the emission of natural lifetime (with quenching) of at least ˜30 sec, introduce no observational blurring effects. By using such high-quality ASI images, we succeeded in visualizing an asymmetry in the gradients between the leading/trailing edges of the patches in a 2-D fashion. The gradient in the leading edge was found to be 2-3 times steeper than that in the trailing edge. We also identified fingerlike structures, appearing only along the trailing edge of the patches, whose horizontal scale size ranged from 55 to 210 km. These fingers are considered to be manifestations of plasma structuring through the gradient-drift instability (GDI), which is known to occur only along the trailing edge of patches. That is, the current 2-D observations visualized, for the first time, how GDI stirs the patch plasma and such a mixing process makes the trailing edge more gradual. This result strongly implies a close connection between the GDI-driven plasma stirring and the asymmetry in the large-scale shape of patches and then suggests that the fingerlike structures can be used as markers to estimate the fine-scale structure in the plasma flow within patches.

Electronic structure study of Ce1-xAxO2 (A = Zr & Hf) nanoparticles: NEXAFS and EXAFS investigations.

PubMed

Sharma, Aditya; Varshney, Mayora; Shin, Hyun-Joon; Park, Yong Jun; Kim, Min-Gyu; Ha, Tae-Kyun; Chae, Keun Hwa; Gautam, Sanjeev

2014-10-07

Single phase nanoparticles (NPs) of CeO2, Ce0.5Zr0.5O2, Ce0.5Hf0.5O2 and Ce0.5Hf0.25Zr0.25O2 were successfully synthesized by co-precipitation method at constant pH and temperature. The X-ray diffraction results revealed that the additive atoms did not segregate to form secondary phases but led to grain size variation in the NPs. The 10 Dq values in the near edge X-ray absorption fine structure (NEXAFS) spectra at the O K-edge did not vary in the same way as the average grain size was changed for the doped CeO2 NPs. The deconvolution of Ce M5-edge and detailed analysis of O K pre-edge peak have shown the higher Ce(+3)/(Ce(+3) + Ce(+4)) ratio in the Zr- and Hf-doped samples. The local atomic structure around the Ce, Zr and Hf atoms was investigated using extended X-ray absorption fine structure (EXAFS) spectroscopy at Ce K-edge, Zr K-edge and Hf L3-edge, respectively, and the EXAFS data were fitted with the theoretical calculations. The 4f occupancy, Ce(+3)/(Ce(+3) + Ce(+4)) ratio of Ce ions, coordination number of Ce and Ce-Ce/Ce-O bond distances were sensitive to the additive atoms but not explicitly changed according to the grain size variation in the NPs.

Influence of matrix type on tree community assemblages along tropical dry forest edges.

PubMed

Benítez-Malvido, Julieta; Gallardo-Vásquez, Julio César; Alvarez-Añorve, Mariana Y; Avila-Cabadilla, Luis Daniel

2014-05-01

• Anthropogenic habitat edges have strong negative consequences for the functioning of tropical ecosystems. However, edge effects on tropical dry forest tree communities have been barely documented.• In Chamela, Mexico, we investigated the phylogenetic composition and structure of tree assemblages (≥5 cm dbh) along edges abutting different matrices: (1) disturbed vegetation with cattle, (2) pastures with cattle and, (3) pastures without cattle. Additionally, we sampled preserved forest interiors.• All edge types exhibited similar tree density, basal area and diversity to interior forests, but differed in species composition. A nonmetric multidimensional scaling ordination showed that the presence of cattle influenced species composition more strongly than the vegetation structure of the matrix; tree assemblages abutting matrices with cattle had lower scores in the ordination. The phylogenetic composition of tree assemblages followed the same pattern. The principal plant families and genera were associated according to disturbance regimes as follows: pastures and disturbed vegetation (1) with cattle and (2) without cattle, and (3) pastures without cattle and interior forests. All habitats showed random phylogenetic structures, suggesting that tree communities are assembled mainly by stochastic processes. Long-lived species persisting after edge creation could have important implications in the phylogenetic structure of tree assemblages.• Edge creation exerts a stronger influence on TDF vegetation pathways than previously documented, leading to new ecological communities. Phylogenetic analysis may, however, be needed to detect such changes. © 2014 Botanical Society of America, Inc.

Electronic, Magnetic, and Transport Properties of Polyacrylonitrile-Based Carbon Nanofibers of Various Widths: Density-Functional Theory Calculations

NASA Astrophysics Data System (ADS)

Partovi-Azar, P.; Panahian Jand, S.; Kaghazchi, P.

2018-01-01

Edge termination of graphene nanoribbons is a key factor in determination of their physical and chemical properties. Here, we focus on nitrogen-terminated zigzag graphene nanoribbons resembling polyacrylonitrile-based carbon nanofibers (CNFs) which are widely studied in energy research. In particular, we investigate magnetic, electronic, and transport properties of these CNFs as functions of their widths using density-functional theory calculations together with the nonequilibrium Green's function method. We report on metallic behavior of all the CNFs considered in this study and demonstrate that the narrow CNFs show finite magnetic moments. The spin-polarized electronic states in these fibers exhibit similar spin configurations on both edges and result in spin-dependent transport channels in the narrow CNFs. We show that the partially filled nitrogen dangling-bond bands are mainly responsible for the ferromagnetic spin ordering in the narrow samples. However, the magnetic moment becomes vanishingly small in the case of wide CNFs where the dangling-bond bands fall below the Fermi level and graphenelike transport properties arising from the π orbitals are recovered. The magnetic properties of the CNFs as well as their stability have also been discussed in the presence of water molecules and the hexagonal boron nitride substrate.

Connectomics-based analysis of information flow in the Drosophila brain.

PubMed

Shih, Chi-Tin; Sporns, Olaf; Yuan, Shou-Li; Su, Ta-Shun; Lin, Yen-Jen; Chuang, Chao-Chun; Wang, Ting-Yuan; Lo, Chung-Chuang; Greenspan, Ralph J; Chiang, Ann-Shyn

2015-05-18

Understanding the overall patterns of information flow within the brain has become a major goal of neuroscience. In the current study, we produced a first draft of the Drosophila connectome at the mesoscopic scale, reconstructed from 12,995 images of neuron projections collected in FlyCircuit (version 1.1). Neuron polarities were predicted according to morphological criteria, with nodes of the network corresponding to brain regions designated as local processing units (LPUs). The weight of each directed edge linking a pair of LPUs was determined by the number of neuron terminals that connected one LPU to the other. The resulting network showed hierarchical structure and small-world characteristics and consisted of five functional modules that corresponded to sensory modalities (olfactory, mechanoauditory, and two visual) and the pre-motor center. Rich-club organization was present in this network and involved LPUs in all sensory centers, and rich-club members formed a putative motor center of the brain. Major intra- and inter-modular loops were also identified that could play important roles for recurrent and reverberant information flow. The present analysis revealed whole-brain patterns of network structure and information flow. Additionally, we propose that the overall organizational scheme showed fundamental similarities to the network structure of the mammalian brain. Copyright © 2015 Elsevier Ltd. All rights reserved.

Experimental and theoretical XANES of CdSxSe1-x nanostructures

NASA Astrophysics Data System (ADS)

Yiu, Y. M.; Murphy, M. W.; Liu, L.; Hu, Y.; Sham, T. K.

2014-03-01

The morphology and electronic properties of the CdSxSe1-x nanostructures with varying alloy compositions have been acquired experimentally by X-ray Absorption Near-Edge Structures (XANES) at the Cd, Se and S K-edge and L3,2-edges. The theoretical XANES spectra have been calculated using the density functional approach. It is found that the optical band-gap emission of these CdSxSe1-x nano-ribbons can be tuned to the range between that of pure CdS (2.43 eV) and CdSe (1.74 eV) by changing the S and Se ratio. This gradual shift in (optical and structural) properties from CdS character to CdSe character is also seen in the electronic structures. The densities of states and band structures show that with the addition of Se replacing S in CdS, the band gap shrinks. The K and L3,2 edges of Cd, Se, and S of the XANES structures of both the CdS and CdSe in B4 (wurtzite) and B3 (cubic zinc-blende) structures have been calculated and compared.

The terminator "toy" chemistry test: A simple tool to assess errors in transport schemes

DOE PAGES

Lauritzen, P. H.; Conley, A. J.; Lamarque, J. -F.; ...

2015-05-04

This test extends the evaluation of transport schemes from prescribed advection of inert scalars to reactive species. The test consists of transporting two interacting chemical species in the Nair and Lauritzen 2-D idealized flow field. The sources and sinks for these two species are given by a simple, but non-linear, "toy" chemistry that represents combination (X+X → X 2) and dissociation (X 2 → X+X). This chemistry mimics photolysis-driven conditions near the solar terminator, where strong gradients in the spatial distribution of the species develop near its edge. Despite the large spatial variations in each species, the weighted sum Xmore » T = X+2X 2 should always be preserved at spatial scales at which molecular diffusion is excluded. The terminator test demonstrates how well the advection–transport scheme preserves linear correlations. Chemistry–transport (physics–dynamics) coupling can also be studied with this test. Examples of the consequences of this test are shown for illustration.« less

Analysis of the detailed configuration of hydrated lanthanoid(III) ions in aqueous solution and crystalline salts by using K- and L(3)-edge XANES spectroscopy.

PubMed

D'Angelo, Paola; Zitolo, Andrea; Migliorati, Valentina; Persson, Ingmar

2010-01-11

The structural properties of the hydrated lanthanoid(III) ions in aqueous solution and in the isostructural trifluoromethanesulfonate salts have been investigated by a quantitative analysis of the X-ray absorption near-edge structure (XANES) spectra at the K- and L(3)-edges. The XANES analysis has provided a clear description of the variation of lanthanoid(III) hydration properties across the series. It was found that all of the lanthanoid(III) hydration complexes retain a tricapped trigonal prism (TTP) geometry, and along the series two of the capping water molecules become less and less strongly bound, before finally, on average, one of them leaves the hydration cluster. This gives rise to an eight-coordinated distorted bicapped trigonal prism with two different Ln--O capping distances for the smallest lanthanoid(III) ions. This systematic study has shown that for lanthanoid compounds more accurate structural information is obtained from the analysis of the L(3)-edge than from K-edge XANES data. Moreover, whereas the second hydration shells provide a detectable contribution to the L(3)-edge XANES spectra of the lighter lanthanoid ions, the K-edge spectra are insensitive to the more distant coordination spheres.

A feasibility study of heat-pipe-cooled leading edges for hypersonic cruise aircraft

NASA Technical Reports Server (NTRS)

Silverstein, C. C.

1971-01-01

A theoretical study of the use of heat pipe structures for cooling the leading edges of hypersonic cruise aircraft was carried out over a Mach number range of 6 to 12. Preliminary design studies showed that a heat pipe cooling structure with a 33-in. chordwise length could maintain the maximum temperature of a 65 deg sweepback wing with a 0.5-in. leading edge radius below 1600 F during cruise at Mach 8. A few relatively minor changes in the steady-state design of the structure were found necessary to insure satisfactory cooling during the climb to cruise speed and altitude. It was concluded that heat pipe cooling is an attractive, feasible technique for limiting leading edge temperatures of hypersonic cruise aircraft.

Structural and dynamic properties of the C-terminal region of the Escherichia coli RNA chaperone Hfq: integrative experimental and computational studies.

PubMed

Wen, Bin; Wang, Weiwei; Zhang, Jiahai; Gong, Qingguo; Shi, Yunyu; Wu, Jihui; Zhang, Zhiyong

2017-08-09

In Escherichia coli, hexameric Hfq is an important RNA chaperone that facilitates small RNA-mediated post-transcriptional regulation. The Hfq monomer consists of an evolutionarily conserved Sm domain (residues 1-65) and a flexible C-terminal region (residues 66-102). It has been recognized that the existence of the C-terminal region is important for the function of Hfq, but its detailed structural and dynamic properties remain elusive due to its disordered nature. In this work, using integrative experimental techniques, such as nuclear magnetic resonance spectroscopy and small-angle X-ray scattering, as well as multi-scale computational simulations, new insights into the structure and dynamics of the C-terminal region in the context of the Hfq hexamer are provided. Although the C-terminal region is intrinsically disordered, some residues (83-86) are motionally restricted. The hexameric core may affect the secondary structure propensity of the C-terminal region, due to transient interactions between them. The residues at the rim and the proximal side of the core have significantly more transient contacts with the C-terminal region than those residues at the distal side, which may facilitate the function of the C-terminal region in the release of double-stranded RNAs and the cycling of small non-coding RNAs. Structure ensembles constructed by fitting the experimental data also support that the C-terminal region prefers to locate at the proximal side. From multi-scale simulations, we propose that the C-terminal region may play a dual role of steric effect (especially at the proximal side) and recruitment (at the both sides) in the binding process of RNA substrates. Interestingly, we have found that these motionally restricted residues may serve as important binding sites for the incoming RNAs that is probably driven by favorable electrostatic interactions. These integrative studies may aid in our understanding of the functional role of the C-terminal region of Hfq.

System and method for representing and manipulating three-dimensional objects on massively parallel architectures

DOEpatents

Karasick, Michael S.; Strip, David R.

1996-01-01

A parallel computing system is described that comprises a plurality of uniquely labeled, parallel processors, each processor capable of modelling a three-dimensional object that includes a plurality of vertices, faces and edges. The system comprises a front-end processor for issuing a modelling command to the parallel processors, relating to a three-dimensional object. Each parallel processor, in response to the command and through the use of its own unique label, creates a directed-edge (d-edge) data structure that uniquely relates an edge of the three-dimensional object to one face of the object. Each d-edge data structure at least includes vertex descriptions of the edge and a description of the one face. As a result, each processor, in response to the modelling command, operates upon a small component of the model and generates results, in parallel with all other processors, without the need for processor-to-processor intercommunication.

Si K EDGE STRUCTURE AND VARIABILITY IN GALACTIC X-RAY BINARIES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schulz, Norbert S.; Corrales, Lia; Canizares, Claude R.

2016-08-10

We survey the Si K edge structure in various absorbed Galactic low-mass X-ray binaries (LMXBs) to study states of silicon in the inter- and circum-stellar medium. The bulk of these LMXBs lie toward the Galactic bulge region and all have column densities above 10{sup 22} cm{sup −2}. The observations were performed using the Chandra High Energy Transmission Grating Spectrometer. The Si K edge in all sources appears at an energy value of 1844 ± 0.001 eV. The edge exhibits significant substructure that can be described by a near edge absorption feature at 1849 ± 0.002 eV and a far edgemore » absorption feature at 1865 ± 0.002 eV. Both of these absorption features appear variable with equivalent widths up to several mÅ. We can describe the edge structure using several components: multiple edge functions, near edge absorption excesses from silicates in dust form, signatures from X-ray scattering optical depths, and a variable warm absorber from ionized atomic silicon. The measured optical depths of the edges indicate much higher values than expected from atomic silicon cross sections and interstellar medium abundances, and they appear consistent with predictions from silicate X-ray absorption and scattering. A comparison with models also indicates a preference for larger dust grain sizes. In many cases, we identify Si xiii resonance absorption and determine ionization parameters between log ξ = 1.8 and 2.8 and turbulent velocities between 300 and 1000 km s{sup −1}. This places the warm absorber in close vicinity of the X-ray binaries. In some data, we observe a weak edge at 1.840 keV, potentially from a lesser contribution of neutral atomic silicon.« less

Predicted stem-loop structures and variation in nucleotide sequence of 3' noncoding regions among animal calicivirus genomes.

PubMed

Seal, B S; Neill, J D; Ridpath, J F

1994-07-01

Caliciviruses are nonenveloped with a polyadenylated genome of approximately 7.6 kb and a single capsid protein. The "RNA Fold" computer program was used to analyze 3'-terminal noncoding sequences of five feline calicivirus (FCV), rabbit hemorrhagic disease virus (RHDV), and two San Miguel sea lion virus (SMSV) isolates. The FCV 3'-terminal sequences are 40-46 nucleotides in length and 72-91% similar. The FCV sequences were predicted to contain two possible duplex structures and one stem-loop structure with free energies of -2.1 to -18.2 kcal/mole. The RHDV genomic 3'-terminal RNA sequences are 54 nucleotides in length and share 49% sequence similarity to homologous regions of the FCV genome. The RHDV sequence was predicted to form two duplex structures in the 3'-terminal noncoding region with a single stem-loop structure, resembling that of FCV. In contrast, the SMSV 1 and 4 genomic 3'-terminal noncoding sequences were 185 and 182 nucleotides in length, respectively. Ten possible duplex structures were predicted with an average structural free energy of -35 kcal/mole. Sequence similarity between the two SMSV isolates was 75%. Furthermore, extensive cloverleaflike structures are predicted in the 3' noncoding region of the SMSV genome, in contrast to the predicted single stem-loop structures of FCV or RHDV.

Long- and Short-Range Structure of Ferrimagnetic Iron-Chromium Maghemites.

PubMed

García-Guaderrama, Marco; Montero-Cabrera, María E; Morán, Emilio; Alario-Franco, Miguel A; Fuentes-Cobas, Luis E; Macías-Ríos, Edgar; Esparza-Ponce, Hilda E; Fuentes-Montero, María E

2015-12-07

Maghemite-like materials containing Fe(3+) and Cr(3+) in comparable amounts have been prepared by solution-combustion synthesis. The conditions of synthesis and the magnetic properties are described. These materials are ferrimagnetic and are much more stable than pure iron maghemite since their maghemite-hematite transformation takes place at about ∼ 700 °C instead of ∼ 300 °C, as usually reported. These materials were studied by synchrotron radiation X-ray diffraction (XRD) and by X-ray absorption fine structure (XAFS) of the K-absorption edge of two elements. High-resolution XRD patterns were processed by means of the Rietveld method. Thus, maghemites were studied by XAFS in both Fe and Cr K-edges to clarify the short-range structure of the investigated systems. Pre-edge decomposition and theoretical modeling of X-ray absorption near edge structure transitions were performed. The extended X-ray absorption fine structure (EXAFS) spectra were fitted considering the facts that the central atom of Fe is able to occupy octahedral and tetrahedral sites, each with a weight adjustment, while Cr occupies only octahedral sites. Interatomic distances were determined for x = 1, by fitting simultaneously both Fe and Cr K-edges average EXAFS spectra. The results showed that the cation vacancies tend to follow a regular pattern within the structure of the iron-chromium maghemite (FeCrO3).

Geometries for roughness shapes in laminar flow

NASA Technical Reports Server (NTRS)

Holmes, Bruce J. (Inventor); Martin, Glenn L. (Inventor); Domack, Christopher S. (Inventor); Obara, Clifford J. (Inventor); Hassan, Ahmed A. (Inventor)

1986-01-01

A passive interface mechanism between upper and lower skin structures, and a leading edge structure of a laminar flow airfoil is described. The interface mechanism takes many shapes. All are designed to be different than the sharp orthogonal arrangement prevalent in the prior art. The shapes of the interface structures are generally of two types: steps away from the centerline of the airfoil with a sloping surface directed toward the trailing edge and, the other design has a gap before the sloping surface. By properly shaping the step, the critical step height is increased by more than 50% over the orthogonal edged step.

Role of the C-terminal extensions of alpha-crystallins. Swapping the C-terminal extension of alpha-crystallin to alphaB-crystallin results in enhanced chaperone activity.

PubMed

Pasta, Saloni Yatin; Raman, Bakthisaran; Ramakrishna, Tangirala; Rao, Ch Mohan

2002-11-29

Several small heat shock proteins contain a well conserved alpha-crystallin domain, flanked by an N-terminal domain and a C-terminal extension, both of which vary in length and sequence. The structural and functional role of the C-terminal extension of small heat shock proteins, particularly of alphaA- and alphaB-crystallins, is not well understood. We have swapped the C-terminal extensions between alphaA- and alphaB-crystallins and generated two novel chimeric proteins, alphaABc and alphaBAc. We have investigated the domain-swapped chimeras for structural and functional alterations. We have used thermal and non-thermal models of protein aggregation and found that the chimeric alphaB with the C-terminal extension of alphaA-crystallin, alphaBAc, exhibits dramatically enhanced chaperone-like activity. Interestingly, however, the chimeric alphaA with the C-terminal extension of alphaB-crystallin, alphaABc, has almost lost its activity. Pyrene solubilization and bis-1-anilino-8-naphthalenesulfonate binding studies show that alphaBAc exhibits more solvent-exposed hydrophobic pockets than alphaA, alphaB, or alphaABc. Significant tertiary structural changes are revealed by tryptophan fluorescence and near-UV CD studies upon swapping the C-terminal extensions. The far-UV CD spectrum of alphaBAc differs from that of alphaB-crystallin whereas that of alphaABc overlaps with that of alphaA-crystallin. Gel filtration chromatography shows alteration in the size of the proteins upon swapping the C-terminal extensions. Our study demonstrates that the unstructured C-terminal extensions play a crucial role in the structure and chaperone activity, in addition to generally believed electrostatic "solubilizer" function.

A new augmentation based algorithm for extracting maximal chordal subgraphs

DOE PAGES

Bhowmick, Sanjukta; Chen, Tzu-Yi; Halappanavar, Mahantesh

2014-10-18

If every cycle of a graph is chordal length greater than three then it contains an edge between non-adjacent vertices. Chordal graphs are of interest both theoretically, since they admit polynomial time solutions to a range of NP-hard graph problems, and practically, since they arise in many applications including sparse linear algebra, computer vision, and computational biology. A maximal chordal subgraph is a chordal subgraph that is not a proper subgraph of any other chordal subgraph. Existing algorithms for computing maximal chordal subgraphs depend on dynamically ordering the vertices, which is an inherently sequential process and therefore limits the algorithms’more » parallelizability. In our paper we explore techniques to develop a scalable parallel algorithm for extracting a maximal chordal subgraph. We demonstrate that an earlier attempt at developing a parallel algorithm may induce a non-optimal vertex ordering and is therefore not guaranteed to terminate with a maximal chordal subgraph. We then give a new algorithm that first computes and then repeatedly augments a spanning chordal subgraph. After proving that the algorithm terminates with a maximal chordal subgraph, we then demonstrate that this algorithm is more amenable to parallelization and that the parallel version also terminates with a maximal chordal subgraph. That said, the complexity of the new algorithm is higher than that of the previous parallel algorithm, although the earlier algorithm computes a chordal subgraph which is not guaranteed to be maximal. Finally, we experimented with our augmentation-based algorithm on both synthetic and real-world graphs. We provide scalability results and also explore the effect of different choices for the initial spanning chordal subgraph on both the running time and on the number of edges in the maximal chordal subgraph.« less

A New Augmentation Based Algorithm for Extracting Maximal Chordal Subgraphs.

PubMed

Bhowmick, Sanjukta; Chen, Tzu-Yi; Halappanavar, Mahantesh

2015-02-01

A graph is chordal if every cycle of length greater than three contains an edge between non-adjacent vertices. Chordal graphs are of interest both theoretically, since they admit polynomial time solutions to a range of NP-hard graph problems, and practically, since they arise in many applications including sparse linear algebra, computer vision, and computational biology. A maximal chordal subgraph is a chordal subgraph that is not a proper subgraph of any other chordal subgraph. Existing algorithms for computing maximal chordal subgraphs depend on dynamically ordering the vertices, which is an inherently sequential process and therefore limits the algorithms' parallelizability. In this paper we explore techniques to develop a scalable parallel algorithm for extracting a maximal chordal subgraph. We demonstrate that an earlier attempt at developing a parallel algorithm may induce a non-optimal vertex ordering and is therefore not guaranteed to terminate with a maximal chordal subgraph. We then give a new algorithm that first computes and then repeatedly augments a spanning chordal subgraph. After proving that the algorithm terminates with a maximal chordal subgraph, we then demonstrate that this algorithm is more amenable to parallelization and that the parallel version also terminates with a maximal chordal subgraph. That said, the complexity of the new algorithm is higher than that of the previous parallel algorithm, although the earlier algorithm computes a chordal subgraph which is not guaranteed to be maximal. We experimented with our augmentation-based algorithm on both synthetic and real-world graphs. We provide scalability results and also explore the effect of different choices for the initial spanning chordal subgraph on both the running time and on the number of edges in the maximal chordal subgraph.

Identification of F impurities in F-doped ZnO by synchrotron X-ray absorption near edge structures

NASA Astrophysics Data System (ADS)

Na-Phattalung, Sutassana; Limpijumnong, Sukit; Min, Chul-Hee; Cho, Deok-Yong; Lee, Seung-Ran; Char, Kookrin; Yu, Jaejun

2018-04-01

Synchrotron X-ray absorption near edge structure (XANES) measurements of F K-edge in conjunction with first-principles calculations are used to identify the local structure of the fluorine (F) atom in F-doped ZnO. The ZnO film was grown by pulsed laser deposition with an Nd:YAG laser, and an oxyfluoridation method was used to introduce F ions into the ZnO films. The measured XANES spectrum of the sample was compared against the first-principles XANES calculations based on various models for local atomic structures surrounding F atoms. The observed spectral features are attributed to ZnF2 and FO defects in wurtzite bulk ZnO.

Comparative investigation of N donor ligand-lanthanide complexes from the metal and ligand point of view

NASA Astrophysics Data System (ADS)

Prüßmann, T.; Denecke, M. A.; Geist, A.; Rothe, J.; Lindqvist-Reis, P.; Löble, M.; Breher, F.; Batchelor, D. R.; Apostolidis, C.; Walter, O.; Caliebe, W.; Kvashnina, K.; Jorissen, K.; Kas, J. J.; Rehr, J. J.; Vitova, T.

2013-04-01

N-donor ligands such as n-Pr-BTP (2,6-bis(5,6-dipropyl-1,2,4-triazin-3-yl)pyridine) studied here preferentially bind An(III) over Ln(III) in liquid-liquid separation of trivalent ac-tinides from spent nuclear fuel. The chemical and physical processes responsible for this selectivity are not yet well understood. We present systematic comparative near-edge X-ray absorption structure (XANES) spectroscopy investigations at the Gd L3 edge of [GdBTP3](NO3)3, [Gd(BTP)3](OTf)3, Gd(NO3)3, Gd(OTf)3 and N K edge of [Gd(BTP)3](NO3)3, Gd(NO3)3 complexes. The pre-edge absorption resonance in Gd L3 edge high-energy resolution X-ray absorption near edge structure spectra (HR-XANES) is explained as arising from 2p3/2 → 4f/5d electronic transitions by calculations with the FEFF9.5 code. Experimental evidence is found for higher electronic density on Gd in [Gd(BTP)3](NO3)3 and [Gd(BTP)3](OTf)3 compared to Gd in Gd(NO3)3 and Gd(OTf)3, and on N in [Gd(BTP)3](NO3)3 compared to n-Pr-BTP. The origin of the pre-edge structure in the N K edge XANES is explained by density functional theory (DFT) with the ORCA code. Results at the N K edge suggest a change in ligand orbital occupancies and mixing upon complexation but further work is necessary to interpret observed spectral variations.

DISCHARGE VALVE FOR GRANULAR MATERIAL

DOEpatents

Stoughton, L.D.; Robinson, S.T.

1962-05-15

A gravity-red dispenser or valve is designed for discharging the fueled spherical elements used in a pebble bed reactor. The dispenser consists of an axially movable tube terminating under a hood having side walls with openings. When the tube is moved so that its top edge is above the tops of the side openings the elements will not flow. As the tube is moved downwardly, the elements flow into the hood through the side openings and over the top edge into the tube at an increasing rate as the tube is lowered further. The tube is spaced at all times from the hood and side walls a distance greater than the diameter of the largest element to prevent damaging of the elements when the dispenser is closed to flow. (AEC)

Crystal structures of three 3,4,5-tri­meth­oxy­benzamide-based derivatives

PubMed Central

Gomes, Ligia R.; Low, John Nicolson; Oliveira, Catarina; Cagide, Fernando; Borges, Fernanda

2016-01-01

The crystal structures of three benzamide derivatives, viz. N-(6-hy­droxy­hex­yl)-3,4,5-tri­meth­oxy­benzamide, C16H25NO5, (1), N-(6-anilinohex­yl)-3,4,5-tri­meth­oxy­benzamide, C22H30N2O4, (2), and N-(6,6-di­eth­oxy­hex­yl)-3,4,5-tri­meth­oxy­benzamide, C20H33NO6, (3), are described. These compounds differ only in the substituent at the end of the hexyl chain and the nature of these substituents determines the differences in hydrogen bonding between the mol­ecules. In each mol­ecule, the m-meth­oxy substituents are virtually coplanar with the benzyl ring, while the p-meth­oxy substituent is almost perpendicular. The carbonyl O atom of the amide rotamer is trans related with the amidic H atom. In each structure, the benzamide N—H donor group and O acceptor atoms link the mol­ecules into C(4) chains. In 1, a terminal –OH group links the mol­ecules into a C(3) chain and the combined effect of the C(4) and C(3) chains is a ribbon made up of screw related R 2 2(17) rings in which the ⋯O—H⋯ chain lies in the centre of the ribbon and the tri­meth­oxy­benzyl groups forms the edges. In 2, the combination of the benzamide C(4) chain and the hydrogen bond formed by the terminal N—H group to an O atom of the 4-meth­oxy group link the mol­ecules into a chain of R 2 2(17) rings. In 3, the mol­ecules are linked only by C(4) chains. PMID:27308017

Structure and regulatory role of the C-terminal winged helix domain of the archaeal minichromosome maintenance complex

PubMed Central

Wiedemann, Christoph; Szambowska, Anna; Häfner, Sabine; Ohlenschläger, Oliver; Gührs, Karl-Heinz; Görlach, Matthias

2015-01-01

The minichromosome maintenance complex (MCM) represents the replicative DNA helicase both in eukaryotes and archaea. Here, we describe the solution structure of the C-terminal domains of the archaeal MCMs of Sulfolobus solfataricus (Sso) and Methanothermobacter thermautotrophicus (Mth). Those domains consist of a structurally conserved truncated winged helix (WH) domain lacking the two typical ‘wings’ of canonical WH domains. A less conserved N-terminal extension links this WH module to the MCM AAA+ domain forming the ATPase center. In the Sso MCM this linker contains a short α-helical element. Using Sso MCM mutants, including chimeric constructs containing Mth C-terminal domain elements, we show that the ATPase and helicase activity of the Sso MCM is significantly modulated by the short α-helical linker element and by N-terminal residues of the first α-helix of the truncated WH module. Finally, based on our structural and functional data, we present a docking-derived model of the Sso MCM, which implies an allosteric control of the ATPase center by the C-terminal domain. PMID:25712103

Language study on Spliced Semigraph using Folding techniques

NASA Astrophysics Data System (ADS)

Thiagarajan, K.; Padmashree, J.

2018-04-01

In this paper, we proposed algorithm to identify cut vertices and cut edges for n-Cut Spliced Semigraph and splicing the n-Cut Spliced Semigraph using cut vertices else cut edges or combination of cut vertex and cut edge and applying sequence of folding to the spliced semigraph to obtain the semigraph quadruple η(S)=(2, 1, 1, 1). We observed that the splicing and folding using both cut vertices and cut edges is applicable only for n-Cut Spliced Semigraph where n > 2. Also, we transformed the spliced semigraph into tree structure and studied the language for the semigraph with n+2 vertices and n+1 semivertices using Depth First Edge Sequence algorithm and obtain the language structure with sequence of alphabet ‘a’ and ‘b’.

XANES analysis of dried and calcined bones.

PubMed

Rajendran, Jayapradhi; Gialanella, Stefano; Aswath, Pranesh B

2013-10-01

The structure of dried and calcined bones from chicken, bovine, deer, pig, sheep and chamois was examined using X-ray Absorption Near Edge Structure (XANES) spectroscopy. The oxygen K-edge absorption edge indicates that the surface of dried bone has a larger proportion of carbonate than the interior that is made up of phosphates. The phosphorus L and K edge clearly indicate that pyrophosphates, α-tricalcium phosphate (α-TCP) and hydrogen phosphates of Ca do not exist in either the dried bone or calcined bone and phosphorus exists as either β-tricalcium phosphate (β-TCP) or hydroxyapatite, both in the dried and calcined conditions. The Ca K-edge analysis indicates that β-TCP is the likely form of phosphate in both the dried and calcined conditions. Copyright © 2013 Elsevier B.V. All rights reserved.

First-Principles Fe L 2,3 -Edge and O K-Edge XANES and XMCD Spectra for Iron Oxides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sassi, Michel; Pearce, Carolyn I.; Bagus, Paul S.

X-ray absorption near-edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) spectroscopies are tools in widespread use for providing detailed local atomic structure, oxidation state, and magnetic structure information for materials and organometallic complexes. The analysis of these spectra for transition-metal L-edges is routinely performed on the basis of ligand-field multiplet theory because one- and two-particle mean-field ab initio methods typically cannot describe the multiplet structure. Here we show that multireference configuration interaction (MRCI) calculations can satisfactorily reproduce measured XANES spectra for a range of complex iron oxide materials including hematite and magnetite. MRCI Fe L2,3-edge XANES and XMCD spectramore » of Fe(II)O6, Fe(III)O6, and Fe(III)O4 in magnetite are found to be in very good qualitative agreement with experiment and multiplet calculations. Point-charge embedding and small distortions of the first-shell oxygen ligands have only small effects. Oxygen K-edge XANES/XMCD spectra for magnetite investigated by a real-space Green’s function approach complete the very good qualitative agreement with experiment. Material-specific differences in local coordination and site symmetry are well reproduced, making the approach useful for assigning spectral features to specific oxidation states and coordination environments.« less

Three-dimensional flow visualization and vorticity dynamics in revolving wings

NASA Astrophysics Data System (ADS)

Cheng, Bo; Sane, Sanjay P.; Barbera, Giovanni; Troolin, Daniel R.; Strand, Tyson; Deng, Xinyan

2013-01-01

We investigated the three-dimensional vorticity dynamics of the flows generated by revolving wings using a volumetric 3-component velocimetry system. The three-dimensional velocity and vorticity fields were represented with respect to the base axes of rotating Cartesian reference frames, and the second invariant of the velocity gradient was evaluated and used as a criterion to identify two core vortex structures. The first structure was a composite of leading, trailing, and tip-edge vortices attached to the wing edges, whereas the second structure was a strong tip vortex tilted from leading-edge vortices and shed into the wake together with the vorticity generated at the tip edge. Using the fundamental vorticity equation, we evaluated the convection, stretching, and tilting of vorticity in the rotating wing frame to understand the generation and evolution of vorticity. Based on these data, we propose that the vorticity generated at the leading edge is carried away by strong tangential flow into the wake and travels downwards with the induced downwash. The convection by spanwise flow is comparatively negligible. The three-dimensional flow in the wake also exhibits considerable vortex tilting and stretching. Together these data underscore the complex and interconnected vortical structures and dynamics generated by revolving wings.

Development of XAFS Into a Structure Determination Technique

NASA Astrophysics Data System (ADS)

Stern, E. A.

After the detection of diffraction of x-rays by M. Laue in 1912, the technique was soon applied to structure determination by Bragg within a year. On the other hand, although the edge steps in X-Ray absorption were discovered even earlier by Barkla and both the near edge (XANES) and extended X-Ray fine structure (EXAFS) past the edge were detected by 1929, it still took over 40 years to realize the structure information contained in this X-Ray absorption fine structure (XAFS). To understand this delay a brief historical review of the development of the scientific ideas that transformed XAFS into the premiere technique for local structure determination is given. The development includes both advances in theoretical understanding and calculational capabilities, and in experimental facilities, especially synchrotron radiation sources. The present state of the XAFS technique and its capabilities are summarized.

Electronic structure and optical properties of CdSxSe1-x solid solution nanostructures from X-ray absorption near edge structure, X-ray excited optical luminescence, and density functional theory investigations

NASA Astrophysics Data System (ADS)

Murphy, M. W.; Yiu, Y. M.; Ward, M. J.; Liu, L.; Hu, Y.; Zapien, J. A.; Liu, Yingkai; Sham, T. K.

2014-11-01

The electronic structure and optical properties of a series of iso-electronic and iso-structural CdSxSe1-x solid solution nanostructures have been investigated using X-ray absorption near edge structure, extended X-ray absorption fine structure, and X-ray excited optical luminescence at various absorption edges of Cd, S, and Se. It is found that the system exhibits compositions, with variable local structure in-between that of CdS and CdSe accompanied by tunable optical band gap between that of CdS and CdSe. Theoretical calculation using density functional theory has been carried out to elucidate the observations. It is also found that luminescence induced by X-ray excitation shows new optical channels not observed previously with laser excitation. The implications of these observations are discussed.

Comparison of topological clustering within protein networks using edge metrics that evaluate full sequence, full structure, and active site microenvironment similarity.

PubMed

Leuthaeuser, Janelle B; Knutson, Stacy T; Kumar, Kiran; Babbitt, Patricia C; Fetrow, Jacquelyn S

2015-09-01

The development of accurate protein function annotation methods has emerged as a major unsolved biological problem. Protein similarity networks, one approach to function annotation via annotation transfer, group proteins into similarity-based clusters. An underlying assumption is that the edge metric used to identify such clusters correlates with functional information. In this contribution, this assumption is evaluated by observing topologies in similarity networks using three different edge metrics: sequence (BLAST), structure (TM-Align), and active site similarity (active site profiling, implemented in DASP). Network topologies for four well-studied protein superfamilies (enolase, peroxiredoxin (Prx), glutathione transferase (GST), and crotonase) were compared with curated functional hierarchies and structure. As expected, network topology differs, depending on edge metric; comparison of topologies provides valuable information on structure/function relationships. Subnetworks based on active site similarity correlate with known functional hierarchies at a single edge threshold more often than sequence- or structure-based networks. Sequence- and structure-based networks are useful for identifying sequence and domain similarities and differences; therefore, it is important to consider the clustering goal before deciding appropriate edge metric. Further, conserved active site residues identified in enolase and GST active site subnetworks correspond with published functionally important residues. Extension of this analysis yields predictions of functionally determinant residues for GST subgroups. These results support the hypothesis that active site similarity-based networks reveal clusters that share functional details and lay the foundation for capturing functionally relevant hierarchies using an approach that is both automatable and can deliver greater precision in function annotation than current similarity-based methods. © 2015 The Authors Protein Science published by Wiley Periodicals, Inc. on behalf of The Protein Society.

Comparison of topological clustering within protein networks using edge metrics that evaluate full sequence, full structure, and active site microenvironment similarity

PubMed Central

Leuthaeuser, Janelle B; Knutson, Stacy T; Kumar, Kiran; Babbitt, Patricia C; Fetrow, Jacquelyn S

2015-01-01

The development of accurate protein function annotation methods has emerged as a major unsolved biological problem. Protein similarity networks, one approach to function annotation via annotation transfer, group proteins into similarity-based clusters. An underlying assumption is that the edge metric used to identify such clusters correlates with functional information. In this contribution, this assumption is evaluated by observing topologies in similarity networks using three different edge metrics: sequence (BLAST), structure (TM-Align), and active site similarity (active site profiling, implemented in DASP). Network topologies for four well-studied protein superfamilies (enolase, peroxiredoxin (Prx), glutathione transferase (GST), and crotonase) were compared with curated functional hierarchies and structure. As expected, network topology differs, depending on edge metric; comparison of topologies provides valuable information on structure/function relationships. Subnetworks based on active site similarity correlate with known functional hierarchies at a single edge threshold more often than sequence- or structure-based networks. Sequence- and structure-based networks are useful for identifying sequence and domain similarities and differences; therefore, it is important to consider the clustering goal before deciding appropriate edge metric. Further, conserved active site residues identified in enolase and GST active site subnetworks correspond with published functionally important residues. Extension of this analysis yields predictions of functionally determinant residues for GST subgroups. These results support the hypothesis that active site similarity-based networks reveal clusters that share functional details and lay the foundation for capturing functionally relevant hierarchies using an approach that is both automatable and can deliver greater precision in function annotation than current similarity-based methods. PMID:26073648

Effects of micro-structure on aerodynamics of Coccinella septempunctata elytra (ladybird) in forward flight as assessed via electron microscopy.

PubMed

Xiang, Jinwu; Liu, Kai; Li, Daochun; Du, Jianxun

2017-11-01

The effects of micro-structure on aerodynamics of Coccinella septempunctata (Coleoptera: Coccinellidae) elytra in forward flight were investigated. The micro-structure was examined by a scanning electron microscope and a digital microscope. Based on the experimental results, five elytron models were constructed to separately investigate the effects of the camber and the local corrugation in both leading edge and trailing edge on aerodynamics. Computational fluid dynamic simulations of five elytron models were conducted by solving the Reynolds-Averaged Navier-Stokes equations with the Reynolds number of 245. The results show that camber and the local corrugation in the leading edge play significant roles in improving the aerodynamic performance, while the local corrugation in the trailing edge has little effect on aerodynamics. Copyright © 2017 Elsevier Ltd. All rights reserved.

Growth mechanism and optical properties of aligned hexagonal ZnO nanoprisms synthesized by noncatalytic thermal evaporation.

PubMed

Umar, Ahmad; Karunagaran, B; Kim, S H; Suh, E-K; Hahn, Y B

2008-05-19

Vertically aligned perfectly hexagonal-shaped ZnO nanoprisms have been grown on a Si(100) substrate via a noncatalytic thermal evaporation process by using metallic zinc powder in the presence of oxygen gas. The as-grown nanoprisms consist of ultra smooth Zn-terminated (0001) facets bounded with the {0110} surfaces. The as-synthesized products are single-crystalline with the wurtzite hexagonal phase and grown along the [0001] direction, as confirmed from the detailed structural investigations. The presence of a sharp and strong nonpolar optical phonon high-E2 mode at 437 cm(-1) in the Raman scattering spectrum further confirms good crystallinity and wurtzite hexagonal phase for the as-grown products. The as-grown nanoprisms exhibit a strong near-band-edge emission with a very weak deep-level emission in the room-temperature and low-temperature photoluminescence measurements, confirming good optical properties for the deposited products. Moreover, systematic time-dependent experiments were also performed to determine the growth process of the grown vertically aligned nanoprisms.

Microsurgical anatomy of the trochlear nerve.

PubMed

Joo, Wonil; Rhoton, Albert L

2015-10-01

The trochlear nerve is the cranial nerve with the longest intracranial course, but also the thinnest. It is the only nerve that arises from the dorsal surface of the brainstem and decussates in the superior medullary velum. After leaving the dorsal surface of the brainstem, it courses anterolaterally around the lateral surface of the brainstem and then passes anteriorly just beneath the free edge of the tentorium. It passes forward to enter the cavernous sinus, traverses the superior orbital fissure and terminates in the superior oblique muscle in the orbit. Because of its small diameter and its long course, the trochlear nerve can easily be injured during surgical procedures. Therefore, precise knowledge of its surgical anatomy and its neurovascular relationships is essential for approaching and removing complex lesions of the orbit and the middle and posterior fossae safely. This review describes the microsurgical anatomy of the trochlear nerve and is illustrated with pictures involving the nerve and its surrounding connective and neurovascular structures. © 2015 Wiley Periodicals, Inc.

Revealing the preferred interlayer orientations and stackings of two-dimensional bilayer gallium selenide crystals.

PubMed

Li, Xufan; Basile, Leonardo; Yoon, Mina; Ma, Cheng; Puretzky, Alexander A; Lee, Jaekwang; Idrobo, Juan C; Chi, Miaofang; Rouleau, Christopher M; Geohegan, David B; Xiao, Kai

2015-02-23

Characterizing and controlling the interlayer orientations and stacking orders of two-dimensional (2D) bilayer crystals and van der Waals (vdW) heterostructures is crucial to optimize their electrical and optoelectronic properties. The four polymorphs of layered gallium selenide (GaSe) crystals that result from different layer stackings provide an ideal platform to study the stacking configurations in 2D bilayer crystals. Through a controllable vapor-phase deposition method, bilayer GaSe crystals were selectively grown and their two preferred 0° or 60° interlayer rotations were investigated. The commensurate stacking configurations (AA' and AB stacking) in as-grown bilayer GaSe crystals are clearly observed at the atomic scale, and the Ga-terminated edge structure was identified using scanning transmission electron microscopy. Theoretical analysis reveals that the energies of the interlayer coupling are responsible for the preferred orientations among the bilayer GaSe crystals. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Big Data in Reciprocal Space: Sliding Fast Fourier Transforms for Determining Periodicity

DOE PAGES

Vasudevan, Rama K.; Belianinov, Alex; Gianfrancesco, Anthony G.; ...

2015-03-03

Significant advances in atomically resolved imaging of crystals and surfaces have occurred in the last decade allowing unprecedented insight into local crystal structures and periodicity. Yet, the analysis of the long-range periodicity from the local imaging data, critical to correlation of functional properties and chemistry to the local crystallography, remains a challenge. Here, we introduce a Sliding Fast Fourier Transform (FFT) filter to analyze atomically resolved images of in-situ grown La5/8Ca3/8MnO3 films. We demonstrate the ability of sliding FFT algorithm to differentiate two sub-lattices, resulting from a mixed-terminated surface. Principal Component Analysis (PCA) and Independent Component Analysis (ICA) of themore » Sliding FFT dataset reveal the distinct changes in crystallography, step edges and boundaries between the multiple sub-lattices. The method is universal for images with any periodicity, and is especially amenable to atomically resolved probe and electron-microscopy data for rapid identification of the sub-lattices present.« less

Big Data in Reciprocal Space: Sliding Fast Fourier Transforms for Determining Periodicity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vasudevan, Rama K.; Belianinov, Alex; Gianfrancesco, Anthony G.

Significant advances in atomically resolved imaging of crystals and surfaces have occurred in the last decade allowing unprecedented insight into local crystal structures and periodicity. Yet, the analysis of the long-range periodicity from the local imaging data, critical to correlation of functional properties and chemistry to the local crystallography, remains a challenge. Here, we introduce a Sliding Fast Fourier Transform (FFT) filter to analyze atomically resolved images of in-situ grown La5/8Ca3/8MnO3 films. We demonstrate the ability of sliding FFT algorithm to differentiate two sub-lattices, resulting from a mixed-terminated surface. Principal Component Analysis (PCA) and Independent Component Analysis (ICA) of themore » Sliding FFT dataset reveal the distinct changes in crystallography, step edges and boundaries between the multiple sub-lattices. The method is universal for images with any periodicity, and is especially amenable to atomically resolved probe and electron-microscopy data for rapid identification of the sub-lattices present.« less

Design and preparation of beta-sheet forming repetitive and block-copolymerized polypeptides.

PubMed

Higashiya, Seiichiro; Topilina, Natalya I; Ngo, Silvana C; Zagorevskii, Dmitri; Welch, John T

2007-05-01

The design and rapid construction of libraries of genes coding beta-sheet forming repetitive and block-copolymerized polypeptides bearing various C- and N-terminal sequences are described. The design was based on the assembly of DNA cassettes coding for the (GA)3GX amino acid sequence where the (GAGAGA) sequences would constitute the beta-strand units of a larger beta-sheet assembly. The edges of this beta-sheet would be functionalized by the turn-inducing amino acids (GX). The polypeptides were expressed in Escherichia coli using conventional vectors and were purified by Ni-nitriloacetic acid (NTA) chromatography. The correlation of polymer structure with molecular weight was investigated by gel electrophoresis and mass spectrometry. The monomer sequences and post-translational chemical modifications were found to influence the mobility of the polypeptides over the full range of polypeptide molecular weights while the electrophoretic mobility of lower molecular weight polypeptides was more susceptible to C- and N-termini polypeptide modifications.

Solid energy calibration standards for P K-edge XANES: electronic structure analysis of PPh4Br.

PubMed

Blake, Anastasia V; Wei, Haochuan; Donahue, Courtney M; Lee, Kyounghoon; Keith, Jason M; Daly, Scott R

2018-03-01

P K-edge X-ray absorption near-edge structure (XANES) spectroscopy is a powerful method for analyzing the electronic structure of organic and inorganic phosphorus compounds. Like all XANES experiments, P K-edge XANES requires well defined and readily accessible calibration standards for energy referencing so that spectra collected at different beamlines or under different conditions can be compared. This is especially true for ligand K-edge X-ray absorption spectroscopy, which has well established energy calibration standards for Cl (Cs 2 CuCl 4 ) and S (Na 2 S 2 O 3 ·5H 2 O), but not neighboring P. This paper presents a review of common P K-edge XANES energy calibration standards and analysis of PPh 4 Br as a potential alternative. The P K-edge XANES region of commercially available PPh 4 Br revealed a single, highly resolved pre-edge feature with a maximum at 2146.96 eV. PPh 4 Br also showed no evidence of photodecomposition when repeatedly scanned over the course of several days. In contrast, we found that PPh 3 rapidly decomposes under identical conditions. Density functional theory calculations performed on PPh 3 and PPh 4 + revealed large differences in the molecular orbital energies that were ascribed to differences in the phosphorus oxidation state (III versus V) and molecular charge (neutral versus +1). Time-dependent density functional theory calculations corroborated the experimental data and allowed the spectral features to be assigned. The first pre-edge feature in the P K-edge XANES spectrum of PPh 4 Br was assigned to P 1s → P-C π* transitions, whereas those at higher energy were P 1s → P-C σ*. Overall, the analysis suggests that PPh 4 Br is an excellent alternative to other solid energy calibration standards commonly used in P K-edge XANES experiments.

Compact Termination for Structural Soft-goods

NASA Technical Reports Server (NTRS)

Wilkes, Robert, Jr.

2013-01-01

Glass fiber is unique in its ability to withstand atomic oxygen and ultraviolet radiation in-space environments. However, glass fiber is also difficult to terminate by traditional methods without decreasing its strength significantly. Glass fiber products are especially sensitive to bend radius, and do not work very well with traditional 'sewn loop on pin' type connections. As with most composites, getting applied loads from a metallic structure into the webbing without stress concentrations is the key to a successful design. A potted end termination has been shown in some preliminary work to out-perform traditional termination methods. It was proposed to conduct a series of tensile tests on structural webbing or cord to determine the optimum potting geometry, and to then be able to estimate a weight and volume savings over traditional sewn-overa- pin connections. During the course of the investigation into potted end terminations for glass fiber webbing, a new and innovative connection was developed that has lower weight, reduced fabrication time, and superior thermal tolerance over the metallic end terminations that were to be optimized in the original proposal. This end termination essentially transitions the flexible glass fiber webbing into a rigid fiberglass termination, which can be bolted/fastened with traditional methods

Structure of bacteriophage T4 fibritin: a segmented coiled coil and the role of the C-terminal domain.

PubMed

Tao, Y; Strelkov, S V; Mesyanzhinov, V V; Rossmann, M G

1997-06-15

Oligomeric coiled-coil motifs are found in numerous protein structures; among them is fibritin, a structural protein of bacteriophage T4, which belongs to a class of chaperones that catalyze a specific phage-assembly process. Fibritin promotes the assembly of the long tail fibers and their subsequent attachment to the tail baseplate; it is also a sensing device that controls the retraction of the long tail fibers in adverse environments and, thus, prevents infection. The structure of fibritin had been predicted from sequence and biochemical analyses to be mainly a triple-helical coiled coil. The determination of its structure at atomic resolution was expected to give insights into the assembly process and biological function of fibritin, and the properties of modified coiled-coil structures in general. The three-dimensional structure of fibritin E, a deletion mutant of wild-type fibritin, was determined to 2.2 A resolution by X-ray crystallography. Three identical subunits of 119 amino acid residues form a trimeric parallel coiled-coil domain and a small globular C-terminal domain about a crystallographic threefold axis. The coiled-coil domain is divided into three segments that are separated by insertion loops. The C-terminal domain, which consists of 30 residues from each subunit, contains a beta-propeller-like structure with a hydrophobic interior. The residues within the C-terminal domain make extensive hydrophobic and some polar intersubunit interactions. This is consistent with the C-terminal domain being important for the correct assembly of fibritin, as shown earlier by mutational studies. Tight interactions between the C-terminal residues of adjacent subunits counteract the latent instability that is suggested by the structural properties of the coiled-coil segments. Trimerization is likely to begin with the formation of the C-terminal domain which subsequently initiates the assembly of the coiled coil. The interplay between the stabilizing effect of the C-terminal domain and the labile coiled-coil domain may be essential for the fibritin function and for the correct functioning of many other alpha-fibrous proteins.

A simple model for coupled acoustic-structure resonance in Stratospheric Observatory for Infrared Astronomy

NASA Astrophysics Data System (ADS)

Ginsberg, Jerry H.

2005-04-01

The Stratospheric Observatory For Infrared Astronomy (SOFIA) is a joint project of NASA and the Deutsches Zentrum fur Luft- und Raumfahrt that has mounted a 2.5 m, 20 000 kg infrared telescope on a bulkhead of a specially modified Boeing 747-SP. A large sliding door will expose the observation bay to the exterior flow field at Mach 0.85 and 13 km altitude. In the open configuration the interaction of turbulence vortices generated at the leading and trailing edges of the opening has the possibility of inducing a strong acoustic signal. A concern has been raised that the peak frequencies of such a signal might coincide with the cavity resonances. The present work examines the transfer function for a known source in order to identify the cavity resonances. Simplistic reasoning argues that the worst case would occur if the cavity resonant frequencies are close to structural resonances. However, the structure's impedance is very low at its resonances, which means that the cavity resonant frequencies are shifted from their nominal values. The present work uses a simple one-dimensional waveguide model, in which one end is terminated by a damped single-degree-of-freedom oscillator, to explain the coupled-fluid structure resonance. The characteristic equation and formulas for the pressure and displacement transfer functions are derived. Analysis of these results leads to some surprising insights regarding the role of a structure's stiffness and mass. [Work supported by the NASA.

Box/peanut and bar structures in edge-on and face-on nearby galaxies in the Sloan Digital Sky Survey - I. Catalogue

NASA Astrophysics Data System (ADS)

Yoshino, Akira; Yamauchi, Chisato

2015-02-01

We investigate box/peanut and bar structures in image data of edge-on and face-on nearby galaxies taken from the Sloan Digital Sky Survey (SDSS) to present catalogues containing the surface brightness parameters and the morphology classification. About 1700 edge-on galaxies and 2600 face-on galaxies are selected from SDSS DR7 in the g, r and i-bands. The images of each galaxy are fitted with the model of two-dimensional surface brightness of the Sérsic bulge and exponential disk. After removing some irregular data, the box/peanut, bar and other structures are easily distinguished by eye using residual (observed minus model) images. We find 292 box/peanut structures in the 1329 edge-on samples and 630 bar structures in 1890 face-on samples in the i-band, after removing some irregular data. The fraction of box/peanut galaxies is about 22 per cent against the edge-on samples, and that of bar galaxies is about 33 per cent (about 50 per cent if 629 elliptical galaxies are removed) against the face-on samples. Furthermore the strengths of the box/peanuts and bars are evaluated as strong, standard or weak. We find that the strength increases slightly with increasing B/T (bulge-to-total flux ratio), and that the fraction of box/peanuts is generally about a half of that of bars, irrespective of the strength and B/T. Our result supports the idea that a box/peanut is a bar seen edge-on.

A model for managing edge effects in harvest scheduling using spatial optimization

Treesearch

Kai L. Ross; Sándor F. Tóth

2016-01-01

Actively managed forest stands can create new forest edges. If left unchecked over time and across space, forest operations such as clear-cuts can create complex networks of forest edges. Newly created edges alter the landscape and can affect many environmental factors. These altered environmental factors have a variety of impacts on forest growth and structure and can...

Novel Afferent Terminal Structure in the Crista Ampullaris of the Goldfish, Carassius auratus

NASA Technical Reports Server (NTRS)

Lanford, Pamela J.; Popper, Arthur N.

1996-01-01

Using transmission electron microscopy, we have identified a new type of afferent terminal structure in the crista ampullaris of the goldfish Carassius auratus. In addition to the bouton-type afferent terminals previously described in the ear of this species, the crista also contained enlarged afferent terminals that enveloped a portion of the basolateral hair cell membrane. The hair cell membrane was evaginated and protruded into the afferent terminal in a glove-and-finger configuration. The membranes of the two cells were regularly aligned in the protruded region of the contact and had a distinct symmetrical electron density. The electron-dense profiles of these contacts were easily identified and were present in every crista sampled. In some cases, efferent terminals synapsed onto the afferents at a point where the hair cell protruded into the terminal. The ultrastructural similarities of the goldfish crista afferents to calyx afferents found in amniotes (birds, reptiles, and mammals) are discussed. The results of the study support the hypothesis that structural variation in the vertebrate inner ear may have evolved much earlier in evolution than previously supposed.

Dynamic mesh adaption for triangular and tetrahedral grids

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Strawn, Roger

1993-01-01

The following topics are discussed: requirements for dynamic mesh adaption; linked-list data structure; edge-based data structure; adaptive-grid data structure; three types of element subdivision; mesh refinement; mesh coarsening; additional constraints for coarsening; anisotropic error indicator for edges; unstructured-grid Euler solver; inviscid 3-D wing; and mesh quality for solution-adaptive grids. The discussion is presented in viewgraph form.

Enhancing the thermoelectric performance of gamma-graphyne nanoribbons by introducing edge disorder.

PubMed

Cui, Xiao; Ouyang, Tao; Li, Jin; He, Chaoyu; Tang, Chao; Zhong, Jianxin

2018-03-07

Structure disorder especially edge disorder is unavoidable during the fabrication of nanomaterials. In this paper, using the non-equilibrium Green's function method, we investigate the influence of edge disorder on the thermoelectric performance of gamma(γ)-graphyne nanoribbons (GYNRs). Our results show that the high Seebeck coefficient in pristine γ-GYNR could still be preserved although edge disorder is introduced into the structure. Meanwhile, in these edge-disordered nanoribbons the suppression of thermal conductance including electronic and phononic contributions outweighs the reduction of electronic conductance. These two positive effects combine together, and finally boost the thermoelectric conversion efficiency of γ-GYNRs. The thermoelectric figure of merit ZT in the edge-disordered γ-GYNRs (the length and width are about 55.68 and 1.41 nm) could approach 2.5 at room temperature, and can even reach as high as 4.0 at 700 K, which is comparable to the efficiency of conventional energy conversion methods. The findings in this paper indicate that the edge-disordered γ-GYNRs are a promising candidate for efficient thermoelectric energy conversion and thermal management of nanodevices.

Energetics of edge oxidization of graphene nanoribbons

NASA Astrophysics Data System (ADS)

Yasuma, Airi; Yamanaka, Ayaka; Okada, Susumu

2018-06-01

On the basis of the density functional theory, we studied the geometries and energetics of O atoms adsorbed on graphene edges for simulating the initial stage of the edge oxidization of graphene. Our calculations showed that oxygen atoms are preferentially adsorbed onto the graphene edges with the zigzag portion, resulting in a large adsorption energy of about 5 eV. On the other hand, the edges with armchair shape are rarely oxidized, or the oxidization causes substantial structural reconstructions, because of the stable covalent bond at the armchair edge with the triple bond nature. Furthermore, the energetics sensitively depends on the edge angles owing to the inhomogeneity of the charge density at the edge atomic sites.

Current Noise from a Magnetic Moment in a Helical Edge

NASA Astrophysics Data System (ADS)

Väyrynen, Jukka I.; Glazman, Leonid I.

2017-03-01

We calculate the two-terminal current noise generated by a magnetic moment coupled to a helical edge of a two-dimensional topological insulator. When the system is symmetric with respect to in-plane spin rotation, the noise is dominated by the Nyquist component even in the presence of a voltage bias V . The corresponding noise spectrum S (V ,ω ) is determined by a modified fluctuation-dissipation theorem with the differential conductance G (V ,ω ) in place of the linear one. The differential noise ∂S /∂V , commonly measured in experiments, is strongly dependent on frequency on a small scale τK-1≪T set by the Korringa relaxation rate of the local moment. This is in stark contrast to the case of conventional mesoscopic conductors where ∂S /∂V is frequency independent and defined by the shot noise. In a helical edge, a violation of the spin-rotation symmetry leads to the shot noise, which becomes important only at a high bias. Uncharacteristically for a fermion system, this noise in the backscattered current is super-Poissonian.

Network Terminations: A Compilation of Possible Answers.

ERIC Educational Resources Information Center

Wilson, John S.

An examination of 20 library network terminations reveals five major reasons for termination: lack of adequate funding, absorption by larger networks, loosely structured governance, partial termination of services, and networks programmed for short durations. Two tables present survey data. (RAA)

Sulfur K-edge extended X-ray absorption fine structure spectroscopy of homoleptic thiolato complexes with Zn(II) and Cd(II).

PubMed

Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Fujita, Mitsuharu; Ohashi, Tetuya; Amir, Nagina; Miyashita, Yoshitaro; Aika, Ken-Ichi; Izumi, Yasuo; Okamoto, Ken-Ichi

2006-02-01

The sulfur K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy is applied to homoleptic thiolato complexes with Zn(II) and Cd(II), (Et(4)N)[Zn(SAd)(3)] (1), (Et(4)N)(2)[{Zn(ScHex)(2)}(2)(mu-ScHex)(2)] (2), (Et(4)N)(2)[{Cd(ScHex)(2)}(2)(mu-ScHex)(2)] (3), (Et(4)N)(2)[{Cd(ScHex)}(4)(mu-ScHex)(6)] (4), [Zn(mu-SAd)(2)](n) (5), and [Cd(mu-SAd)(2)](n) (6) (HSAd=1-adamantanethiol, HScHex=cyclohexanethiol). The EXAFS results are consistent with the X-ray crystal data of 1-4. The structures of 5 and 6, which have not been determined by X-ray crystallography, are proposed to be polynuclear structures on the basis of the sulfur K-edge EXAFS, far-IR spectra, and elemental analysis. Clear evidences of the S...S interactions (between bridging atoms or neighboring sulfur atoms) and the S...C(far) interactions (in which C(far) atom is next to carbon atom directly bonded to sulfur atom) were observed in the EXAFS data for all complexes and thus lead to the reliable determination of the structures of 5 and 6 in combination with conventional zinc K-edge EXAFS analysis for 5. This new methodology, sulfur K-edge EXAFS, could be applied for the structural determination of in vivo metalloproteins as well as inorganic compounds.

Venus - Lakshmi Planum and Maxwell Montes

NASA Technical Reports Server (NTRS)

1990-01-01

This Magellan full resolution radar image is centered at 65 degrees north latitude, zero degrees east longitude, along the eastern edge of Lakshmi Planum and the western edge of Maxwell Montes. The plains of Lakshmi are made up of radar-dark, homogeneous, smooth lava flows. Located near the center of the image is a feature previously mapped as tessera made up of intersecting 1- to 2-km (0.6 to 1.2 miles) wide graven. The abrupt termination of dark plains against this feature indicates that it has been partially covered by lava. Additional blocks of tessera are located along the left hand edge of the image. A series of linear parallel troughs are located along the southern edge of the image. These features, 60- to 120-km (36- to 72- miles) long and 10- to 40- km (6- to 24- miles) wide are interpreted as graben. Located along the right hand part of the image is Maxwell Montes, the highest mountain on the planet, rising to an elevation of 11.5 km (7 miles) and is part of a series of mountain belts surrounding Lakshmi Planum. The western edge of Maxwell shown in this image rises sharply, 5.0 km (3.0 miles), above the adjacent plains in Lakshmi Planum. Maxwell is made up of parallel ridges 2- to 7-km (1.2- to 4.2 miles) apart and is interpreted to have formed by compressional tectonics. The image is 300 km (180 miles) wide.

The structure of S . lividans acetoacetyl-CoA synthetase shows a novel interaction between the C-terminal extension and the N-terminal domain

DOE PAGES

Mitchell, Carter A.; Tucker, Alex C.; Escalante-Semerena, Jorge C.; ...

2014-12-09

The adenosine monoposphate-forming acyl-CoA synthetase enzymes catalyze a two-step reaction that involves the initial formation of an acyl adenylate that reacts in a second partial reaction to form a thioester between the acyl substrate and CoA. These enzymes utilize a Domain Alternation catalytic mechanism, whereby a ~110 residue C-terminal domain rotates by 140° to form distinct catalytic conformations for the two partial reactions. In this paper, the structure of an acetoacetyl-CoA synthetase (AacS) is presented that illustrates a novel aspect of this C-terminal domain. Specifically, several acetyl- and acetoacetyl-CoA synthetases contain a 30-residue extension on the C-terminus compared to othermore » members of this family. Finally, whereas residues from this extension are disordered in prior structures, the AacS structure shows that residues from this extension may interact with key catalytic residues from the N-terminal domain.« less

Structural and functional organization of the ESCRT-I trafficking complex

PubMed Central

Kostelansky, Michael S.; Sun, Ji; Lee, Sangho; Kim, Jaewon; Ghirlando, Rodolfo; Hierro, Aitor; Emr, Scott D.; Hurley, James H.

2006-01-01

Summary The Endosomal Sorting Complex Required for Transport (ESCRT) complexes are central to receptor downregulation, lysosome biogenesis, and budding of HIV. The yeast ESCRT-I complex contains the Vps23, Vps28, and Vps37 proteins and its assembly is directed by the C-terminal steadiness box of Vps23, the N-terminal half of Vps28, and the C-terminal half of Vps37. The crystal structures of a Vps23:Vps28 core subcomplex and the Vps23:Vps28:Vps37 core were solved at 2.1 and 2.8 Å resolution. Each subunit contains a structurally similar pair of helices that form the core. The N-terminal domain of Vps28 has a hydrophobic binding site on its surface that is conformationally dynamic. The C-terminal domain of Vps28 binds the ESCRT-II complex. The structure shows how ESCRT-I is assembled by a compact core from which the Vps23 UEVdomain, the Vps28 C-domain, and other domains project to bind their partners. PMID:16615894

Structural determination of Bi-doped magnetite multifunctional nanoparticles for contrast imaging.

PubMed

Laguna-Marco, M A; Piquer, C; Roca, A G; Boada, R; Andrés-Vergés, M; Veintemillas-Verdaguer, S; Serna, C J; Iadecola, A; Chaboy, J

2014-09-14

To determine with precision how Bi atoms are distributed in Bi-doped iron oxide nanoparticles their structural characterization has been carried out by X-ray absorption spectroscopy (XAS) recorded at the K edge of Fe and at the L3 edge of Bi. The inorganic nanoparticles are nominally hybrid structures integrating an iron oxide core and a bismuth oxide shell. Fe K-edge XAS indicates the formation of a structurally ordered, non-stoichiometric magnetite (Fe3-δO4) phase for all the nanoparticles. The XAS spectra show that, in the samples synthesized by precipitation in aqueous media and laser pyrolysis, the Bi atoms neither enter into the iron oxide spinel lattice nor form any other mixed Bi-Fe oxides. No modification of the local structure around the Fe atoms induced by the Bi atoms is observed at the Fe K edge. In addition, contrary to expectations, our results indicate that the Bi atoms do not form a well-defined Bi oxide structure. The XAS study at the Bi L3 edge indicates that the environment around Bi atoms is highly disordered and only a first oxygen coordination shell is observed. Indefinite [BiO6-x(OH)x] units (isolated or aggregated forming tiny amorphous clusters) bonded through hydroxyl bridges to the nanoparticle, rather than a well defined Bi2O3 shell, surround the nanoparticle. On the other hand, the XAS study indicates that, in the samples synthesized by thermal decomposition, the Bi atoms are embedded in a longer range ordered structure showing the first and second neighbors.

Passive bookshelf faulting driven by gravitational spreading as the cause of the tiger-stripe-fracture formation and development in the South Polar Terrain of Enceladus

NASA Astrophysics Data System (ADS)

Yin, A.; Pappalardo, R. T.

2013-12-01

Detailed photogeologic mapping of the tiger-stripe fractures in the South Polar Terrain (SPT) of Enceladus indicates that these structures are left-slip faults and terminate at hook-shaped fold-thrust zones and/or Y-shaped horsetail splay-fault zones. The semi-square-shaped tectonic domain that hosts the tiger-stripe faults is bounded by right-slip and left-slip faults on the north and south edges and fold-thrust and extensional zones on the western and eastern edges. We explain the above observations by a passive bookshelf-faulting model in which individual tiger-stripe faults are bounded by deformable wall rocks accommodating distributed deformation. Based on topographic data, we suggest that gravitational spreading had caused the SPT to spread unevenly from west to east. This process was accommodated by right-slip and left-slip faulting on the north and south sides and thrusting and extension along the eastern and southern margins of the tiger-stripe tectonic domain. The uneven spreading, expressed by a gradual northward increase in the number of extensional faults and thrusts/folds along the western and eastern margins, was accommodated by distributed right-slip simple shear across the whole tiger-stripe tectonic domain. This mode of deformation in turn resulted in the development of a passive bookshelf-fault system characterized by left-slip faulting on individual tiger-stripe fractures.

Method of Preparation AZP4330 PR Pattern with Edge Slope 40°

NASA Astrophysics Data System (ADS)

Wu, Jie; Zhao, Hongyuan; Yu, Yuanwei; Zhu, Jian

2018-03-01

When the edge which is under the multi-film is more steep or angular, the stress in the multilayer film near the edge is concentrated, this situation will greatly reduce the reliability of electronic components. And sometimes, we need some special structure such as a slope with a specific angle in the MEMS, so that the metal line can take the signal to the output pad through the slope instead of deep step. To cover these problems, the lithography method of preparing the structure with edge slope is studied. In this paper, based on the Kirchhoff scalar diffraction theory we try to change the contact exposure gap and the post-baking time at the specific temperature to find out the effect about the edge angle of the photoresist. After test by SEM, the results were presented by using AZP4330 photoresist, we can get the PR Pattern with edge slope 40° of the process and the specific process parameters.

System and method for representing and manipulating three-dimensional objects on massively parallel architectures

DOEpatents

Karasick, M.S.; Strip, D.R.

1996-01-30

A parallel computing system is described that comprises a plurality of uniquely labeled, parallel processors, each processor capable of modeling a three-dimensional object that includes a plurality of vertices, faces and edges. The system comprises a front-end processor for issuing a modeling command to the parallel processors, relating to a three-dimensional object. Each parallel processor, in response to the command and through the use of its own unique label, creates a directed-edge (d-edge) data structure that uniquely relates an edge of the three-dimensional object to one face of the object. Each d-edge data structure at least includes vertex descriptions of the edge and a description of the one face. As a result, each processor, in response to the modeling command, operates upon a small component of the model and generates results, in parallel with all other processors, without the need for processor-to-processor intercommunication. 8 figs.

Mechanical properties and electronic structure of edge-doped graphene nanoribbons with F, O, and Cl atoms.

PubMed

Piriz, Sebastián; Fernández-Werner, Luciana; Pardo, Helena; Jasen, Paula; Faccio, Ricardo; Mombrú, Álvaro W

2017-08-16

In this study, we present the structural, electronic, and mechanical properties of edge-doped zigzag graphene nanoribbons (ZGNRs) doped with fluorine, oxygen, and chlorine atoms. To the best of our knowledge, to date, no experimental results concerning the mechanical properties of graphene-derived nanoribbons have been reported in the literature. Simulations indicate that Cl- and F-doped ZGNRs present an equivalent 2-dimensional Young's modulus E 2D , which seems to be higher than those of graphene and H-doped ZGNRs. This is a consequence of the electronic structure of the system, particularly originating from strong interactions between the dopant atoms localized at the edges. The interaction between dopant atoms located at the edges is higher for Cl and lower for F and O atoms. This is the origin of the observed trend, in which E > E > E for all the analyzed ZGNRs.

Solution XAS Analysis for Exploring the Active Species in Homogeneous Vanadium Complex Catalysis

NASA Astrophysics Data System (ADS)

Nomura, Kotohiro; Mitsudome, Takato; Tsutsumi, Ken; Yamazoe, Seiji

2018-06-01

Selected examples in V K-edge X-ray Absorption Near Edge Structure (XANES) analysis of a series of vanadium complexes containing imido ligands (possessing metal-nitrogen double bond) in toluene solution have been introduced, and their pre-edge and the edge were affected by their structures and nature of ligands. Selected results in exploring the oxidation states of the active species in ethylene dimerization/polymerization using homogeneous vanadium catalysts [consisting of (imido)vanadium(V) complexes and Al cocatalysts] by X-ray absorption spectroscopy (XAS) analyses have been introduced. It has been demonstrated that the method should provide more clear information concerning the active species in situ, especially by combination with the other methods (NMR and ESR spectra, X-ray crystallographic analysis, and reaction chemistry), and should be powerful tool for study of catalysis mechanism as well as for the structural analysis in solution.

Electronic structure of Cr doped Fe3O4 thin films by X-ray absorption near-edge structure spectroscopy

NASA Astrophysics Data System (ADS)

Chen, Chi-Liang; Dong, Chung-Li; Asokan, Kandasami; Chern, G.; Chang, C. L.

2018-04-01

Present study reports the electronic structures of Cr doped Fe3O4 (Fe3-xCrxO4 (0 ≤ x ≤ 3) grown on MgO (100) substrates in the form of thin films fabricated by a plasma-oxygen assisted Molecular Beam Epitaxy (MBE). X-ray absorption near-edge structure (XANES) spectra at Cr & Fe L-, and O K-edges were used to understand the electronic structure: changes in the bonding nature, valence states, and site occupancies. Cr doping in Fe3O4 results in the change of charge transfer, crystal structure, and selective occupation of ions in octahedral and tetrahedral sites. Such change modifies the electrical and magnetic properties due to the covalency of Cr ions. The physical and chemical properties of ferrites are strongly dependent on the lattice site, ion size of dopant, and magnetic nature present at different structural symmetry of the spinel structure.

Cooled electrical terminal assembly and device incorporating same

DOEpatents

Beihoff, Bruce C.; Radosevich, Lawrence D.; Phillips, Mark G.; Kehl, Dennis L.; Kaishian, Steven C.; Kannenberg, Daniel G.

2006-08-22

A terminal structure provides interfacing with power electronics circuitry and external circuitry. The thermal support may receive one or more power electronic circuits. The support may aid in removing heat from the terminal structure and the circuits through fluid circulating through the support. The support may form a shield from both external EMI/RFI and from interference generated by operation of the power electronic circuits. Features may be provided to permit and enhance connection of the circuitry to external circuitry, such as improved terminal configurations. Modular units may be assembled that may be coupled to electronic circuitry via plug-in arrangements or through interface with a backplane or similar mounting and interconnecting structures.

Cooled electrical terminal assembly and device incorporating same

DOEpatents

Beihoff, Bruce C.; Radosevich, Lawrence D.; Phillips, Mark G.; Kehl, Dennis L.; Kaishian, Steven C.; Kannenberg, Daniel G.

2005-05-24

A terminal structure provides interfacing with power electronics circuitry and external circuitry. The thermal support may receive one or more power electronic circuits. The support may aid in removing heat from the terminal structure and the circuits through fluid circulating through the support. The support may form a shield from both external EMI/RFI and from interference generated by operation of the power electronic circuits. Features may be provided to permit and enhance connection of the circuitry to external circuitry, such as improved terminal configurations. Modular units may be assembled that may be coupled to electronic circuitry via plug-in arrangements or through interface with a backplane or similar mounting and interconnecting structures.

New HErschel Multi-wavelength Extragalactic Survey of Edge-on Spirals (NHEMESES)

NASA Astrophysics Data System (ADS)

Holwerda, B. W.; Bianchi, S.; Baes, M.; de Jong, R. S.; Dalcanton, J. J.; Radburn-Smith, D.; Gordon, K.; Xilouris, M.

2012-08-01

Edge-on spiral galaxies offer a unique perspective on the vertical structure of spiral disks, both stars and the iconic dark dustlanes. The thickness of these dustlanes can now be resolved for the first time with Herschel in far-infrared and sub-mm emission. We present NHEMESES, an ongoing project that targets 12 edge-on spiral galaxies with the PACS and SPIRE instruments on Herschel. These vertically resolved observations of edge-on spirals will impact on several current topics. First and foremost, these Herschel observations will settle whether or not there is a phase change in the vertical structure of the ISM with disk mass. Previously, a dramatic change in dustlane morphology was observed as in massive disks the dust collapses into a thin lane. If this is the case, the vertical balance between turbulence and gravity dictates the ISM structure and consequently star-formation and related phenomena (spiral arms, bars etc.). We specifically target lower mass nearby edge-ons to complement existing Herschel observations of high-mass edge-on spirals (the HEROES project). Secondly, the combined data-set, together with existing Spitzer observations, will drive a new generation of spiral disk Spectral Energy Distribution models. These model how dust reprocesses starlight to thermal emission but the dust geometry remains the critical unknown. And thirdly, the observations will provide an accurate and unbiased census of the cold dusty structures occasionally seen extending out of the plane of the disk, when backlit by the stellar disk. To illustrate the NHEMESES project, we present early results on NGC 4244 and NGC 891, two well studies examples of a low and high-mass edge-on spiral.

First principles study on the electronic structures and transport properties of armchair/zigzag edge hybridized graphene nanoribbons

NASA Astrophysics Data System (ADS)

Yi, Xiuying; Long, Mengqiu; Liu, Anhua; Li, Mingjun; Xu, Hui

2018-05-01

Graphene nanoribbons (GNRs) can be mainly classified into armchair graphene nanoribbons (aGNRs) and zigzag graphene nanoribbons (zGNRs) by different edge chiral directions. In this work, by introducing Stone-Wales defects on the edges of the V-shaped aGNRs, we propose a kind of armchair/zigzag edge hybridized GNRs (a/zHGNRs) and using the density functional theory and the nonequilibrium Green's function method, the band structures and electronic transport properties of the a/zHGNRs have been calculated. Our results show that an indirect bandgap appears in the band structures of the a/zHGNRs, which is very different from the direct bandgap of aGNRs and gapless of zGNRs. We also find that the valance band is mainly derived from the armchair partial atoms on the hybridized edge, while the conduction band comes mainly from the zigzag partial atoms of the hybridized edge. Meanwhile, the bandgap also oscillates with a period of three when the ribbon width increases. In addition, our quantum transport calculations show that there is a remarkable transition between the semiconductor and the metal with different ribbon widths in the a/zHGNRs devices, and the corresponding physical analysis is given.

X-ray absorption spectroscopic studies of the active sites of nickel- and copper-containing metalloproteins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Grace O.

1993-06-01

X-ray absorption spectroscopy (XAS) is a useful tool for obtaining structural and chemical information about the active sites of metalloproteins and metalloenzymes. Information may be obtained from both the edge region and the extended X-ray absorption fine structure (EXAFS) or post-edge region of the K-edge X-ray absorption spectrum of a metal center in a compound. The edge contains information about the valence electronic structure of the atom that absorbs the X-rays. It is possible in some systems to infer the redox state of the metal atom in question, as well as the geometry and nature of ligands connected to it,more » from the features in the edge in a straightforward manner. The EXAFS modulations, being produced by the backscattering of the ejected photoelectron from the atoms surrounding the metal atom, provide, when analyzed, information about the number and type of neighbouring atoms, and the distances at which they occur. In this thesis, analysis of both the edge and EXAFS regions has been used to gain information about the active sites of various metalloproteins. The metalloproteins studied were plastocyanin (Pc), laccase and nickel carbon monoxide dehydrogenase (Ni CODH). Studies of Cu(I)-imidazole compounds, related to the protein hemocyanin, are also reported here.« less

Manipulating the one-dimensional topological edge state of Bi bilayer nanoribbons via magnetic orientation and electric field

NASA Astrophysics Data System (ADS)

Kim, Jeongwoo; Wu, Ruqian

2018-03-01

Despite the superiority of two-dimensional (2D) topological insulators (TIs) over their three-dimensional (3D) counterparts in various aspects and the essential distinction between them in structural symmetry, the variation of the topological one-dimensional (1D) edge states upon magnetic interaction and their application for spintronic devices have not been sufficiently illuminated. Here, we reveal that 1D edge states of 2D TIs have a unique magnetic response never observed in 2D surface states of 3D TIs, and using this exotic nature we propose a way to utilize the spin-polarized channel for spintronic applications. We investigate the effects of width and magnetic decoration on the 1D topological edge state of Bi bilayer nanoribbons (BNRs). Through the Zak phase, we find that the zero-energy states are enforced at the magnetic domain boundaries in the Cr-decorated BNR and directly examine their robustness using short-range magnetic domain structures. We also demonstrate that 1D edge states of BNRs can be selectively and reversibly controlled by the combination of magnetic reorientation and electric field without compromising their structural integrity. Our work provides a fundamental understanding of 1D topological edge states and shows the opportunity of using these features in spintronic devices.

Structure of the two-domain hexameric APS kinase from Thiobacillus denitrificans: structural basis for the absence of ATP sulfurylase activity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gay, Sean C.; Segel, Irwin H.; Fisher, Andrew J., E-mail: fisher@chem.ucdavis.edu

2009-10-01

APS kinase from Thiobacillus denitrificans contains an inactive N-terminal ATP sulfurylase domain. The structure presented unveils the first hexameric assembly for an APS kinase, and reveals that structural changes in the N-terminal domain disrupt the ATP sulfurylase active site thus prohibiting activity. The Tbd-0210 gene of the chemolithotrophic bacterium Thiobacillus denitrificans is annotated to encode a 60.5 kDa bifunctional enzyme with ATP sulfurylase and APS kinase activity. This putative bifunctional enzyme was cloned, expressed and structurally characterized. The 2.95 Å resolution X-ray crystal structure reported here revealed a hexameric assembly with D{sub 3} symmetry. Each subunit contains a large N-terminalmore » sulfurylase-like domain and a C-terminal APS kinase domain reminiscent of the two-domain fungal ATP sulfurylases of Penicillium chrysogenum and Saccharomyces cerevisiae, which also exhibit a hexameric assembly. However, the T. denitrificans enzyme exhibits numerous structural and sequence differences in the N-terminal domain that render it inactive with respect to ATP sulfurylase activity. Surprisingly, the C-terminal domain does indeed display APS kinase activity, indicating that this gene product is a true APS kinase. Therefore, these results provide the first structural insights into a unique hexameric APS kinase that contains a nonfunctional ATP sulfurylase-like domain of unknown function.« less

Surface Coverage and Structure of Mixed DNA/Alkylthiol Monolayers on Gold: Characterization by XPS, NEXAFS, and Fluorescence Intensity Measurements

PubMed Central

Lee, Chi-Ying; Gong, Ping; Harbers, Gregory M.; Grainger, David W.; Castner, David G.; Gamble, Lara J.

2006-01-01

Self-assembly of thiol-terminated single-stranded DNA (HS-ssDNA) on gold has served as an important model system for DNA immobilization at surfaces. Here, we report a detailed study of the surface composition and structure of mixed self-assembled DNA monolayers containing a short alkylthiol surface diluent [11-mercapto-1-undecanol (MCU)] on gold supports. These mixed DNA monolayers were studied with X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine structure spectroscopy (NEXAFS), and fluorescence intensity measurements. XPS results on sequentially adsorbed DNA/MCU monolayers on gold indicated that adsorbed MCU molecules first incorporate into the HS-ssDNA monolayer and, upon longer MCU exposures, displace adsorbed HS-ssDNA molecules from the surface. Thus, HS-ssDNA surface coverage steadily decreased with MCU exposure time. Polarization-dependent NEXAFS and fluorescence results both show changes in signals consistent with changes in DNA orientation after only 30 min of MCU exposure. NEXAFS polarization dependence (followed by monitoring the N 1s → π* transition) of the mixed DNA monolayers indicated that the DNA nucleotide base ring structures are oriented more parallel to the gold surface compared to DNA bases in pure HS-ssDNA monolayers. This indicates that HS-ssDNA oligomers reorient toward a more-upright position upon MCU incorporation. Fluorescence intensity results using end-labeled DNA probes on gold show little observable fluorescence on pure HS-ssDNA monolayers, likely due to substrate quenching effects between the fluorophore and the gold. MCU diluent incorporation into HS-ssDNA monolayers initially increases DNA fluorescence signal by densifying the chemisorbed monolayer, prompting an upright orientation of the DNA, and moving the terminal fluorophore away from the substrate. Immobilized DNA probe density and DNA target hybridization in these mixed DNA monolayers, as well as effects of MCU diluent on DNA hybridization in complex milieu (i.e., serum) were characterized by surface plasmon resonance (SPR) and 32P-radiometric assays and reported in a related study PMID:16689533

Correlation of geothermal springs with sub-surface fault terminations revealed by high-resolution, UAV-acquired magnetic data

USGS Publications Warehouse

Glen, Jonathan; A.E. Egger,; C. Ippolito,; N.Athens,

2013-01-01

There is widespread agreement that geothermal springs in extensional geothermal systems are concentrated at fault tips and in fault interaction zones where porosity and permeability are dynamically maintained (Curewitz and Karson, 1997; Faulds et al., 2010). Making these spatial correlations typically involves geological and geophysical studies in order to map structures and their relationship to springs at the surface. Geophysical studies include gravity and magnetic surveys, which are useful for identifying buried, intra-basin structures, especially in areas where highly magnetic, dense mafic volcanic rocks are interbedded with, and faulted against less magnetic, less dense sedimentary rock. High-resolution magnetic data can also be collected from the air in order to provide continuous coverage. Unmanned aerial systems (UAS) are well-suited for conducting these surveys as they can provide uniform, low-altitude, high-resolution coverage of an area without endangering crew. In addition, they are more easily adaptable to changes in flight plans as data are collected, and improve efficiency. We have developed and tested a new system to collect magnetic data using small-platform UAS. We deployed this new system in Surprise Valley, CA, in September, 2012, on NASA's SIERRA UAS to perform a reconnaissance survey of the entire valley as well as detailed surveys in key transition zones. This survey has enabled us to trace magnetic anomalies seen in ground-based profiles along their length. Most prominent of these is an intra-basin magnetic high that we interpret as a buried, faulted mafic dike that runs a significant length of the valley. Though this feature lacks surface expression, it appears to control the location of geothermal springs. All of the major hot springs on the east side of the valley lie along the edge of the high, and more specifically, at structural transitions where the high undergoes steps, bends, or breaks. The close relationship between the springs and structure terminations revealed by this study is unprecedented. Collecting magnetic data via UAS represents a new capability in geothermal exploration of remote and dangerous areas that significantly enhances our ability to map the subsurface.

Electronic structure and magnetic properties of zigzag blue phosphorene nanoribbons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Tao; Hong, Jisang, E-mail: hongj@pknu.ac.kr

2015-08-07

We investigated the electronic structure and magnetism of zigzag blue phosphorene nanoribbons (ZBPNRs) using first principles density functional theory calculations by changing the widths of ZBPNRs from 1.5 to 5 nm. In addition, the effect of H and O passivation was explored as well. The ZBPNRs displayed intra-edge antiferromagnetic ground state with a semiconducting band gap of ∼0.35 eV; and this was insensitive to the edge structure relaxation effect. However, the edge magnetism of ZBPNRs disappeared with H-passivation. Moreover, the band gap of H-passivated ZBPNRs was greatly enhanced because the calculated band gap was ∼1.77 eV, and this was almost the same asmore » that of two-dimensional blue phosphorene layer. For O-passivated ZBPNRs, we also found an intra-edge antiferromagnetic state. Besides, both unpassivated and O-passivated ZBPNRs preserved almost the same band gap. We predict that the electronic band structure and magnetic properties can be controlled by means of passivation. Moreover, the edge magnetism can be also modulated by the strain. Nonetheless, the intrinsic physical properties are size independent. This feature can be an advantage for device applications because it may not be necessary to precisely control the width of the nanoribbon.« less

49 CFR 214.109 - Scaffolding.

Code of Federal Regulations, 2012 CFR

2012-10-01

... pounds applied within two inches of the top edge, in any outward or downward direction, at any point along the top edge. (3) Top edge height of toprails, or equivalent guardrail system member, shall be 42..., solid panels, and equivalent structural members shall be capable of withstanding, without failure, a...

49 CFR 214.109 - Scaffolding.

Code of Federal Regulations, 2013 CFR

2013-10-01

... pounds applied within two inches of the top edge, in any outward or downward direction, at any point along the top edge. (3) Top edge height of toprails, or equivalent guardrail system member, shall be 42..., solid panels, and equivalent structural members shall be capable of withstanding, without failure, a...

49 CFR 214.109 - Scaffolding.

Code of Federal Regulations, 2014 CFR

2014-10-01

... pounds applied within two inches of the top edge, in any outward or downward direction, at any point along the top edge. (3) Top edge height of toprails, or equivalent guardrail system member, shall be 42..., solid panels, and equivalent structural members shall be capable of withstanding, without failure, a...

49 CFR 214.109 - Scaffolding.

Code of Federal Regulations, 2011 CFR

2011-10-01

... pounds applied within two inches of the top edge, in any outward or downward direction, at any point along the top edge. (3) Top edge height of toprails, or equivalent guardrail system member, shall be 42..., solid panels, and equivalent structural members shall be capable of withstanding, without failure, a...

Micromachined cutting blade formed from {211}-oriented silicon

DOEpatents

Fleming, James G.; Sniegowski, Jeffry J.; Montague, Stephen

2003-09-09

A cutting blade is disclosed fabricated of micromachined silicon. The cutting blade utilizes a monocrystalline silicon substrate having a {211} crystalline orientation to form one or more cutting edges that are defined by the intersection of {211} crystalline planes of silicon with {111} crystalline planes of silicon. This results in a cutting blade which has a shallow cutting-edge angle .theta. of 19.5.degree.. The micromachined cutting blade can be formed using an anisotropic wet etching process which substantially terminates etching upon reaching the {111} crystalline planes of silicon. This allows multiple blades to be batch fabricated on a common substrate and separated for packaging and use. The micromachined cutting blade, which can be mounted to a handle in tension and optionally coated for increased wear resistance and biocompatibility, has multiple applications including eye surgery (LASIK procedure).

Micromachined cutting blade formed from {211}-oriented silicon

DOEpatents

Fleming, James G [Albuquerque, NM; Fleming, legal representative, Carol; Sniegowski, Jeffry J [Tijeras, NM; Montague, Stephen [Albuquerque, NM

2011-08-09

A cutting blade is disclosed fabricated of micromachined silicon. The cutting blade utilizes a monocrystalline silicon substrate having a {211} crystalline orientation to form one or more cutting edges that are defined by the intersection of {211} crystalline planes of silicon with {111} crystalline planes of silicon. This results in a cutting blade which has a shallow cutting-edge angle .theta. of 19.5.degree.. The micromachined cutting blade can be formed using an anisotropic wet etching process which substantially terminates etching upon reaching the {111} crystalline planes of silicon. This allows multiple blades to be batch fabricated on a common substrate and separated for packaging and use. The micromachined cutting blade, which can be mounted to a handle in tension and optionally coated for increased wear resistance and biocompatibility, has multiple applications including eye surgery (LASIK procedure).

Mn K-Edge X-ray Absorption Studies of Oxo- and Hydroxo-manganese(IV) Complexes: Experimental and Theoretical Insights into Pre-Edge Properties

PubMed Central

2015-01-01

Mn K-edge X-ray absorption spectroscopy (XAS) was used to gain insights into the geometric and electronic structures of [MnII(Cl)2(Me2EBC)], [MnIV(OH)2(Me2EBC)]2+, and [MnIV(O)(OH)(Me2EBC)]+, which are all supported by the tetradentate, macrocyclic Me2EBC ligand (Me2EBC = 4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane). Analysis of extended X-ray absorption fine structure (EXAFS) data for [MnIV(O)(OH)(Me2EBC)]+ revealed Mn–O scatterers at 1.71 and 1.84 Å and Mn–N scatterers at 2.11 Å, providing the first unambiguous support for the formulation of this species as an oxohydroxomanganese(IV) adduct. EXAFS-determined structural parameters for [MnII(Cl)2(Me2EBC)] and [MnIV(OH)2(Me2EBC)]2+ are consistent with previously reported crystal structures. The Mn pre-edge energies and intensities of these complexes were examined within the context of data for other oxo- and hydroxomanganese(IV) adducts, and time-dependent density functional theory (TD-DFT) computations were used to predict pre-edge properties for all compounds considered. This combined experimental and computational analysis revealed a correlation between the Mn–O(H) distances and pre-edge peak areas of MnIV=O and MnIV–OH complexes, but this trend was strongly modulated by the MnIV coordination geometry. Mn 3d-4p mixing, which primarily accounts for the pre-edge intensities, is not solely a function of the Mn–O(H) bond length; the coordination geometry also has a large effect on the distribution of pre-edge intensity. For tetragonal MnIV=O centers, more than 90% of the pre-edge intensity comes from excitations to the Mn=O σ* MO. Trigonal bipyramidal oxomanganese(IV) centers likewise feature excitations to the Mn=O σ* molecular orbital (MO) but also show intense transitions to 3dx2–y2 and 3dxy MOs because of enhanced 3d-4px,y mixing. This gives rise to a broader pre-edge feature for trigonal MnIV=O adducts. These results underscore the importance of reporting experimental pre-edge areas rather than peak heights. Finally, the TD-DFT method was applied to understand the pre-edge properties of a recently reported S = 1 MnV=O adduct; these findings are discussed within the context of previous examinations of oxomanganese(V) complexes. PMID:24901026

Mn K-edge X-ray absorption studies of oxo- and hydroxo-manganese(IV) complexes: experimental and theoretical insights into pre-edge properties.

PubMed

Leto, Domenick F; Jackson, Timothy A

2014-06-16

Mn K-edge X-ray absorption spectroscopy (XAS) was used to gain insights into the geometric and electronic structures of [Mn(II)(Cl)2(Me2EBC)], [Mn(IV)(OH)2(Me2EBC)](2+), and [Mn(IV)(O)(OH)(Me2EBC)](+), which are all supported by the tetradentate, macrocyclic Me2EBC ligand (Me2EBC = 4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane). Analysis of extended X-ray absorption fine structure (EXAFS) data for [Mn(IV)(O)(OH)(Me2EBC)](+) revealed Mn-O scatterers at 1.71 and 1.84 Å and Mn-N scatterers at 2.11 Å, providing the first unambiguous support for the formulation of this species as an oxohydroxomanganese(IV) adduct. EXAFS-determined structural parameters for [Mn(II)(Cl)2(Me2EBC)] and [Mn(IV)(OH)2(Me2EBC)](2+) are consistent with previously reported crystal structures. The Mn pre-edge energies and intensities of these complexes were examined within the context of data for other oxo- and hydroxomanganese(IV) adducts, and time-dependent density functional theory (TD-DFT) computations were used to predict pre-edge properties for all compounds considered. This combined experimental and computational analysis revealed a correlation between the Mn-O(H) distances and pre-edge peak areas of Mn(IV)═O and Mn(IV)-OH complexes, but this trend was strongly modulated by the Mn(IV) coordination geometry. Mn 3d-4p mixing, which primarily accounts for the pre-edge intensities, is not solely a function of the Mn-O(H) bond length; the coordination geometry also has a large effect on the distribution of pre-edge intensity. For tetragonal Mn(IV)═O centers, more than 90% of the pre-edge intensity comes from excitations to the Mn═O σ* MO. Trigonal bipyramidal oxomanganese(IV) centers likewise feature excitations to the Mn═O σ* molecular orbital (MO) but also show intense transitions to 3dx(2)-y(2) and 3dxy MOs because of enhanced 3d-4px,y mixing. This gives rise to a broader pre-edge feature for trigonal Mn(IV)═O adducts. These results underscore the importance of reporting experimental pre-edge areas rather than peak heights. Finally, the TD-DFT method was applied to understand the pre-edge properties of a recently reported S = 1 Mn(V)═O adduct; these findings are discussed within the context of previous examinations of oxomanganese(V) complexes.

Two-Dimensional Edge Detection by Guided Mode Resonant Metasurface

NASA Astrophysics Data System (ADS)

Saba, Amirhossein; Tavakol, Mohammad Reza; Karimi-Khoozani, Parisa; Khavasi, Amin

2018-05-01

In this letter, a new approach to perform edge detection is presented using an all-dielectric CMOS-compatible metasurface. The design is based on guided-mode resonance which provides a high quality factor resonance to make the edge detection experimentally realizable. The proposed structure that is easy to fabricate, can be exploited for detection of edges in two dimensions due to its symmetry. Also, the trade-off between gain and resolution of edge detection is discussed which can be adjusted by appropriate design parameters. The proposed edge detector has also the potential to be used in ultrafast analog computing and image processing.

An x-ray absorption spectroscopy study of Ni-Mn-Ga shape memory alloys.

PubMed

Sathe, V G; Dubey, Aditi; Banik, Soma; Barman, S R; Olivi, L

2013-01-30

The austenite to martensite phase transition in Ni-Mn-Ga ferromagnetic shape memory alloys was studied by extended x-ray absorption fine structure (EXAFS) and x-ray absorption near-edge structure (XANES) spectroscopy. The spectra at all the three elements', namely, Mn, Ga and Ni, K-edges in several Ni-Mn-Ga samples (with both Ni and Mn excess) were analyzed at room temperature and low temperatures. The EXAFS analysis suggested a displacement of Mn and Ga atoms in opposite direction with respect to the Ni atoms when the compound transforms from the austenite phase to the martensite phase. The first coordination distances around the Mn and Ga atoms remained undisturbed on transition, while the second and subsequent shells showed dramatic changes indicating the presence of a modulated structure. The Mn rich compounds showed the presence of antisite disorder of Mn and Ga. The XANES results showed remarkable changes in the unoccupied partial density of states corresponding to Mn and Ni, while the electronic structure of Ga remained unperturbed across the martensite transition. The post-edge features in the Mn K-edge XANES spectra changed from a double peak like structure to a flat peak like structure upon phase transition. The study establishes strong correlation between the crystal structure and the unoccupied electronic structure in these shape memory alloys.

Near-edge X-ray absorption spectra for metallic Cu and Mn

NASA Astrophysics Data System (ADS)

Greaves, G. N.; Durham, P. J.; Diakun, G.; Quinn, P.

1981-11-01

The measurement of X-ray absorption fine structure of metals- both in the extended region (EXAFS) as well as in the near edge region (XANES)-has been widely discussed (see refs 1-6 for Cu and refs 7-9 for Mn). The recent availability of intense X-ray fluxes from storage rings has usually been exploited for EXAFS leaving the XANES often with poorer resolution than earlier work performed on conventional sources (for example, compare the near edge structure for copper in ref. 1 with refs 3 or 6). In addition, whilst the theory and analysis of EXAFS is relatively well-established2,10, a theory for the strong scattering regime near to the absorption edge has only recently been developed11. We report here the first high resolution XANES spectra for Cu and Mn which were performed at the SRS storage ring at Daresbury. Although both metals have close-packed structures consisting of atoms of similar size their local atomic structure is different in detail. Significant differences are found in their respective XANES reflecting the senstivity of this region of the X-ray absorption fine structure to the local atomic structure. Spectra for the two metals have been analysed using the new multiple scattering formalism. This is a real space calculation and unlike a conventional band structure approach it does not require structural periodicity but works from the local arrangement of atoms.

Spatially Resolved One-Dimensional Boundary States in Graphene-Hexagonal Boron Nitride Planar Heterostructures

DOE PAGES

Li, An-Ping; Park, Jewook; Lee, Jaekwang; ...

2014-01-01

Two-dimensional (2D) interfaces between crystalline materials have been shown to generate unusual interfacial electronic states in complex oxides1-4. Recently, a onedimensional (1D) polar-on-nonpolar interface has been realized in hexagonal boron nitride (hBN) and graphene heterostructures 5-10, where a coherent 1D boundary is expected to possess peculiar electronic states dictated by edge states of graphene and the polarity of hBN 11-13. Here we present a combined scanning tunneling microscopy (STM) and firstprinciples theory study of the graphene-hBN boundary to provide a rare glimpse into the spatial and energetic distributions of the 1D boundary states in real-space. The interfaces studied here aremore » crystallographically coherent with sharp transitions from graphene zigzag edges to B (or N) terminated hBN atomic layers on a Cu foil substrate5. The revealed boundary states are about 0.6 eV below or above the Fermi energy depending on the termination of the hBN at the boundary, and are extended along but localized at the boundary with a lateral thickness of 2-3nm. These results suggest that unconventional physical effects similar to those observed at 2D interfaces can also exist in lower dimensions, opening a route for tuning of electronic properties at interfaces in 2D heterostructures.« less

Influence of oxygenation on the reactivity of ruthenium-thiolato bonds in arene anticancer complexes: insights from XAS and DFT.

PubMed

Sriskandakumar, Thamayanthy; Petzold, Holm; Bruijnincx, Pieter C A; Habtemariam, Abraha; Sadler, Peter J; Kennepohl, Pierre

2009-09-23

Thiolate ligand oxygenation is believed to activate cytotoxic half-sandwich [(eta(6)-arene)Ru(en)(SR)](+) complexes toward DNA binding. We have made detailed comparisons of the nature of the Ru-S bond in the parent thiolato complexes and mono- (sulfenato) and bis- (sulfinato) oxygenated species including the influence of substituents on the sulfur and arene. Sulfur K-edge XAS indicates that S(3p) donation into the Ru(4d) manifold depends strongly on the oxidation state of the sulfur atom, whereas Ru K-edge data suggest little change at the metal center. DFT results are in agreement with the experimental data and allow a more detailed analysis of the electronic contributions to the Ru-S bond. Overall, the total ligand charge donation to the metal center remains essentially unchanged upon ligand oxygenation, but the origin of the donation differs markedly. In sulfenato complexes, the terminal oxo group makes a large contribution to charge donation and even small electronic changes in the thiolato complexes are amplified upon ligand oxygenation, an observation which carries direct implications for the biological activity of this family of complexes. Details of Ru-S bonding in the mono-oxygenated complexes suggest that these should be most susceptible to ligand exchange, yet only if protonation of the terminal oxo group can occur. The potential consequences of these results for biological activation are discussed.

Quantifying Morphological Parameters of the Terminal Branching Units in a Mouse Lung by Phase Contrast Synchrotron Radiation Computed Tomography

PubMed Central

Hwang, Jeongeun; Kim, Miju; Kim, Seunghwan; Lee, Jinwon

2013-01-01

An effective technique of phase contrast synchrotron radiation computed tomography was established for the quantitative analysis of the microstructures in the respiratory zone of a mouse lung. Heitzman’s method was adopted for the whole-lung sample preparation, and Canny’s edge detector was used for locating the air-tissue boundaries. This technique revealed detailed morphology of the respiratory zone components, including terminal bronchioles and alveolar sacs, with sufficiently high resolution of 1.74 µm isotropic voxel size. The technique enabled visual inspection of the respiratory zone components and comprehension of their relative positions in three dimensions. To check the method’s feasibility for quantitative imaging, morphological parameters such as diameter, surface area and volume were measured and analyzed for sixteen randomly selected terminal branching units, each consisting of a terminal bronchiole and a pair of succeeding alveolar sacs. The four types of asymmetry ratios concerning alveolar sac mouth diameter, alveolar sac surface area, and alveolar sac volume are measured. This is the first ever finding of the asymmetry ratio for the terminal bronchioles and alveolar sacs, and it is noteworthy that an appreciable degree of branching asymmetry was observed among the alveolar sacs at the terminal end of the airway tree, despite the number of samples was small yet. The series of efficient techniques developed and confirmed in this study, from sample preparation to quantification, is expected to contribute to a wider and exacter application of phase contrast synchrotron radiation computed tomography to a variety of studies. PMID:23704918

Probabilistic Structural Health Monitoring of the Orbiter Wing Leading Edge

NASA Technical Reports Server (NTRS)

Yap, Keng C.; Macias, Jesus; Kaouk, Mohamed; Gafka, Tammy L.; Kerr, Justin H.

2011-01-01

A structural health monitoring (SHM) system can contribute to the risk management of a structure operating under hazardous conditions. An example is the Wing Leading Edge Impact Detection System (WLEIDS) that monitors the debris hazards to the Space Shuttle Orbiter s Reinforced Carbon-Carbon (RCC) panels. Since Return-to-Flight (RTF) after the Columbia accident, WLEIDS was developed and subsequently deployed on board the Orbiter to detect ascent and on-orbit debris impacts, so as to support the assessment of wing leading edge structural integrity prior to Orbiter re-entry. As SHM is inherently an inverse problem, the analyses involved, including those performed for WLEIDS, tend to be associated with significant uncertainty. The use of probabilistic approaches to handle the uncertainty has resulted in the successful implementation of many development and application milestones.

Electronic Structures and Optical Properties of α-Al2O3Nanowires

NASA Astrophysics Data System (ADS)

Wang, Zhiqiang; Li, Chunlei; Liu, Lijia; Sham, Tsun-Kong

2013-04-01

The electronic structure and optical properties of α-Al2O3 nanowires (NWs) have been investigated using X-ray absorption near-edge structures (XANES) and X-ray excited optical luminescence (XEOL). The XANES were recorded in total electron yield (TEY) and total fluorescence yield (TFY) across the K- and L3,2-edges of aluminium and the K-edge of oxygen. The results indicate that the NWs are of a core/shell structure with a single-crystalline core and an amorphous shell. The XEOL spectra of the NWs show an intense peak at 404 nm, which comes from the F centre located in the amorphous shell of the NWs. The implication of these findings and the sensitivity of XEOL for defect detection are discussed.

The central role of the Hikurangi Plateau in the Cenozoic tectonics of New Zealand and the Southwest Pacific

NASA Astrophysics Data System (ADS)

Reyners, Martin

2013-01-01

Recent work involving relocation of New Zealand seismicity using a nationwide 3-D seismic velocity model has located the subducted western edge of the Hikurangi Plateau. Both the thickness (ca. 35 km) and the area of the plateau subducted in the Cenozoic (ca. 287,000 km2) are much larger than previously supposed. From ca. 45 Ma, the westernmost tip of the plateau controlled the transition at the Pacific/Australia plate boundary from subduction to the north to Emerald Basin opening to the south. At ca. 23 Ma, curvature of the subduction zone against the western flank of the buoyant plateau became extreme, and a Subduction-Transform Edge Propagator (STEP fault) developed along the western edge of the plateau. This STEP fault corresponds to the Alpine Fault, and the resulting Pacific slab edge is currently defined by intermediate-depth seismicity under the northernmost South Island. Alpine STEP fault propagation was terminated at ca. 15 Ma, when the western edge of the plateau became parallel to the trench, and thus STEP fault formation was no longer favoured. Wholesale subduction of the plateau at the Hikurangi subduction zone began at ca. 10 Ma. The development of a subduction décollement above the plateau mechanically favoured deformation within the overlying Australian plate continental crust. This led to inception of the Marlborough fault system at ca. 7 Ma, and the North Island fault system at 1-2 Ma. At ca. 7 Ma, the western edge of the converging plateau again became more normal to the trench, and there is evidence supporting the development of a second STEP fault beneath the Taupo Volcanic Zone until ca. 3 Ma. Both episodes of STEP fault development at the plateau edge led to rapid slab rollback, and correspond closely with episodes of backarc basin opening to the north in the wider Southwest Pacific. The Cenozoic tectonics of New Zealand and the Southwest Pacific has been strongly influenced not only by the resistance to subduction of the buoyant Hikurangi Plateau, but also by the shape of its western edge and changing angle of attack of this edge at the plate boundary.

Conformational Changes in Small Ligands Upon Tetanus Toxin Binding

DTIC Science & Technology

2008-06-01

lectin-like N-terminal jelly -roll domain and a C-terminal P-trefoil domain;2’ see Figure 2. The ganglioside binding site has been found to occur along...C-terminal P-trefoil and N-terminal jelly -roll sub- domains.’ 0 The site has been identified as the most highly conserved pocket in the structures of...the TeNT and botulinum toxins.23 p-trefoil jelly -roll Figure 2: Crystal Structure of TetC Determined to 1.6 A Resolution. a-Helices are red, P-sheets

Helix Unwinding and Base Flipping Enable Human MTERF1 to Terminate Mitochondrial Transcription

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yakubovskaya, E.; Mejia, E; Byrnes, J

2010-01-01

Defects in mitochondrial gene expression are associated with aging and disease. Mterf proteins have been implicated in modulating transcription, replication and protein synthesis. We have solved the structure of a member of this family, the human mitochondrial transcriptional terminator MTERF1, bound to dsDNA containing the termination sequence. The structure indicates that upon sequence recognition MTERF1 unwinds the DNA molecule, promoting eversion of three nucleotides. Base flipping is critical for stable binding and transcriptional termination. Additional structural and biochemical results provide insight into the DNA binding mechanism and explain how MTERF1 recognizes its target sequence. Finally, we have demonstrated that themore » mitochondrial pathogenic G3249A and G3244A mutations interfere with key interactions for sequence recognition, eliminating termination. Our results provide insight into the role of mterf proteins and suggest a link between mitochondrial disease and the regulation of mitochondrial transcription.« less

Interaction of Nanostructured Calcium Silicate Hydrate with Ibuprofen Drug Molecules: X-ray Absorption Near Edge Structure (XANES) Study at the Ca, Si and O K-edge

NASA Astrophysics Data System (ADS)

Guo, X. X.; Sham, T. K.; Zhu, Y. J.; Hu, Y. F.

2013-04-01

Mesoporous calcium silicate hydrate (CSH) nanostructure has been proven to be bioactive and biocompatible, and has a bright future in the application of bone treatment among other applications. X-ray absorption near edge structure (XANES) is a powerful tool for the study of the interactions of calcium silicate hydrates with drug molecules because it is element specific and it probes the unoccupied electronic states. Herein, we report the use of the calcium, silicon and oxygen K-edge XANES spectroscopy to identify how drug molecules interact with different groups in calcium silicate hydrate mesoporous nano-carriers with different morphologies. Significant changes are observed in XANES spectra after drug loading into the calcium silicate hydrate system, especially at the Si and O K-edge. The implications of these findings are discussed.

Static seal for turbine engine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salazar, Santiago; Gisch, Andrew

2014-04-01

A seal structure for a gas turbine engine, the seal structure including first and second components located adjacent to each other and forming a barrier between high and low pressure zones. A seal cavity is defined in the first and second components, the seal cavity extending to either side of an elongated gap extending generally in a first direction between the first and second components. A seal member is positioned within the seal cavity and spans across the elongated gap. The seal member includes first and second side edges extending into each of the components in a second direction transversemore » to the first direction, and opposing longitudinal edges extending between the side edges generally parallel to the first direction. The side edges include a groove formed therein for effecting a reduction of gas flow around the seal member at the side edges.« less

A Close Look at the Structure of the TiO2-APTES Interface in Hybrid Nanomaterials and Its Degradation Pathway: An Experimental and Theoretical Study

PubMed Central

2016-01-01

The surface functionalization of TiO2-based materials with alkylsilanes is attractive in several cutting-edge applications, such as photovoltaics, sensors, and nanocarriers for the controlled release of bioactive molecules. (3-Aminopropyl)triethoxysilane (APTES) is able to self-assemble to form monolayers on TiO2 surfaces, but its adsorption geometry and solar-induced photodegradation pathways are not well understood. We here employ advanced experimental (XPS, NEXAFS, AFM, HR-TEM, and FT-IR) and theoretical (plane-wave DFT) tools to investigate the preferential interaction mode of APTES on anatase TiO2. We demonstrate that monomeric APTES chemisorption should proceed through covalent Si–O–Ti bonds. Although dimerization of the silane through Si–O–Si bonds is possible, further polymerization on the surface is scarcely probable. Terminal amino groups are expected to be partially involved in strong charge-assisted hydrogen bonds with surface hydroxyl groups of TiO2, resulting in a reduced propensity to react with other species. Solar-induced mineralization proceeds through preferential cleavage of the alkyl groups, leading to the rapid loss of the terminal NH2 moieties, whereas the Si-bearing head of APTES undergoes slower oxidation and remains bound to the surface. The suitability of employing the silane as a linker with other chemical species is discussed in the context of controlled degradation of APTES monolayers for drug release and surface patterning. PMID:28191270

Structural Dynamics Investigation of Human Family 1 & 2 Cystatin-Cathepsin L1 Interaction: A Comparison of Binding Modes

PubMed Central

Nandy, Suman Kumar; Seal, Alpana

2016-01-01

Cystatin superfamily is a large group of evolutionarily related proteins involved in numerous physiological activities through their inhibitory activity towards cysteine proteases. Despite sharing the same cystatin fold, and inhibiting cysteine proteases through the same tripartite edge involving highly conserved N-terminal region, L1 and L2 loop; cystatins differ widely in their inhibitory affinity towards C1 family of cysteine proteases and molecular details of these interactions are still elusive. In this study, inhibitory interactions of human family 1 & 2 cystatins with cathepsin L1 are predicted and their stability and viability are verified through protein docking & comparative molecular dynamics. An overall stabilization effect is observed in all cystatins on complex formation. Complexes are mostly dominated by van der Waals interaction but the relative participation of the conserved regions varied extensively. While van der Waals contacts prevail in L1 and L2 loop, N-terminal segment chiefly acts as electrostatic interaction site. In fact the comparative dynamics study points towards the instrumental role of L1 loop in directing the total interaction profile of the complex either towards electrostatic or van der Waals contacts. The key amino acid residues surfaced via interaction energy, hydrogen bonding and solvent accessible surface area analysis for each cystatin-cathepsin L1 complex influence the mode of binding and thus control the diverse inhibitory affinity of cystatins towards cysteine proteases. PMID:27764212

Mapping Catalytically Relevant Edge Electronic States of MoS2

PubMed Central

2018-01-01

Molybdenum disulfide (MoS2) is a semiconducting transition metal dichalcogenide that is known to be a catalyst for both the hydrogen evolution reaction (HER) as well as for hydro-desulfurization (HDS) of sulfur-rich hydrocarbon fuels. Specifically, the edges of MoS2 nanostructures are known to be far more catalytically active as compared to unmodified basal planes. However, in the absence of the precise details of the geometric and electronic structure of the active catalytic sites, a rational means of modulating edge reactivity remain to be developed. Here we demonstrate using first-principles calculations, X-ray absorption spectroscopy, as well as scanning transmission X-ray microscopy (STXM) imaging that edge corrugations yield distinctive spectroscopic signatures corresponding to increased localization of hybrid Mo 4d states. Independent spectroscopic signatures of such edge states are identified at both the S L2,3 and S K-edges with distinctive spatial localization of such states observed in S L2,3-edge STXM imaging. The presence of such low-energy hybrid states at the edge of the conduction band is seen to correlate with substantially enhanced electrocatalytic activity in terms of a lower Tafel slope and higher exchange current density. These results elucidate the nature of the edge electronic structure and provide a clear framework for its rational manipulation to enhance catalytic activity. PMID:29721532

Rectangular microstrip antenna with corrugation like defects at radiating edge: A new approach to reduce cross polarization radiation

NASA Astrophysics Data System (ADS)

Pawar, U. A.; Mondal, D.; Nagaraju, A.; Chakraborty, S.; Singh, L. L. K.; Chattopadhyay, S.

2018-03-01

In this paper, single layer, simple and compact RMA, with corrugation like defects at the radiating edge, is studied thoroughly to reduce XP radiation from the patch. Unlike the earlier works reported on defected ground structure integrated patches and defect patch structures, in this work, corrugation like linear defects have been placed at the radiating edges of the patch to reduce cross polarisation radiation. Around 30-40 dB of CP-XP isolation is observed in H-plane with 7% impedance bandwidth and in E-plane also, more than 55 dB CP-XP isolation is found. The proposed structure is very simple to design and easy to fabricate.

Dislocation density evolution in the process of high-temperature treatment and creep of EK-181 steel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vershinina, Tatyana, E-mail: vershinina@bsu.edu.ru

2017-03-15

X-ray diffraction has been used to study the dislocation structure in ferrite-martensite high-chromium steel EK-181 in the states after heat treatment and high-temperature creep. The influence of heat treatment and stress on evolution of lath martensite structure was investigated by and electron back-scattered diffraction. The effect of nitrogen content on the total dislocation density, fraction of edge and screw dislocation segments are analyzed. - Highlights: •Fraction of edge dislocation in quenched state depends on nitrogen concentration. •Nitrogen affects the character of dislocation structure evolution during annealing. •Edge dislocations fraction influences on dislocation density after aging and creep.

Hollow structure formation of intense ion beams with sharp edge in background plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Zhang-Hu; Wang, You-Nian, E-mail: ynwang@dlut.edu.cn

The transport of intense ion beams with sharp radial beam edge in plasmas has been studied with two-dimensional electromagnetic particle simulations. The initial solid beam evolves into a hollow beam due to the nonlinear sharp transverse force peak in the regions of beam edge. The magnitude and nonlinearity of this peak are enhanced as the ion beam travels further into the plasma, due to the self-consistent interactions between the beam ions and the plasma electrons. This structure formation is shown to be independent on the beam radius.

Effect of edge defects on band structure of zigzag graphene nanoribbons

NASA Astrophysics Data System (ADS)

Wadhwa, Payal; Kumar, Shailesh; Dhilip Kumar, T. J.; Shukla, Alok; Kumar, Rakesh

2018-04-01

In this article, we report band structure studies of zigzag graphene nanoribbons (ZGNRs) on introducing defects (sp3 hybridized carbon atoms) in different concentrations at edges by varying the ratio of sp3 to sp2 hybridized carbon atoms. On the basis of theoretical analyses, bandgap values of ZGNRs are found to be strongly dependent on the relative arrangement of sp3 to sp2 hybridized carbon atoms at the edges for a defect concentration; so the findings would greatly help in understanding the bandgap of nanoribbons for their electronic applications.

Contour sensitive saliency and depth application in image retargeting

NASA Astrophysics Data System (ADS)

Lu, Hongju; Yue, Pengfei; Zhao, Yanhui; Liu, Rui; Fu, Yuanbin; Zheng, Yuanjie; Cui, Jia

2018-04-01

Image retargeting technique requires important information preservation and less edge distortion during increasing/decreasing image size. The major existed content-aware methods perform well. However, there are two problems should be improved: the slight distortion appeared at the object edges and the structure distortion in the nonsalient area. According to psychological theories, people evaluate image quality based on multi-level judgments and comparison between different areas, both image content and image structure. The paper proposes a new standard: the structure preserving in non-salient area. After observation and image analysis, blur (slight blur) is generally existed at the edge of objects. The blur feature is used to estimate the depth cue, named blur depth descriptor. It can be used in the process of saliency computation for balanced image retargeting result. In order to keep the structure information in nonsalient area, the salient edge map is presented in Seam Carving process, instead of field-based saliency computation. The derivative saliency from x- and y-direction can avoid the redundant energy seam around salient objects causing structure distortion. After the comparison experiments between classical approaches and ours, the feasibility of our algorithm is proved.

An asymmetric structure of the Bacillus subtilis replication terminator protein in complex with DNA.

PubMed

Vivian, J P; Porter, C J; Wilce, J A; Wilce, M C J

2007-07-13

In Bacillus subtilis, the termination of DNA replication via polar fork arrest is effected by a specific protein:DNA complex formed between the replication terminator protein (RTP) and DNA terminator sites. We report the crystal structure of a replication terminator protein homologue (RTP.C110S) of B. subtilis in complex with the high affinity component of one of its cognate DNA termination sites, known as the TerI B-site, refined at 2.5 A resolution. The 21 bp RTP:DNA complex displays marked structural asymmetry in both the homodimeric protein and the DNA. This is in contrast to the previously reported complex formed with a symmetrical TerI B-site homologue. The induced asymmetry is consistent with the complex's solution properties as determined using NMR spectroscopy. Concomitant with this asymmetry is variation in the protein:DNA binding pattern for each of the subunits of the RTP homodimer. It is proposed that the asymmetric "wing" positions, as well as other asymmetrical features of the RTP:DNA complex, are critical for the cooperative binding that underlies the mechanism of polar fork arrest at the complete terminator site.

A hybrid asymptotic-modal analysis of the EM scattering by an open-ended S-shaped rectangular waveguide cavity

NASA Technical Reports Server (NTRS)

Law, P. H.; Burkholder, R. J.; Pathak, P. H.

1988-01-01

The electromagnetic fields (EM) backscatter from a 3-dimensional perfectly conducting S-shaped open-ended cavity with a planar interior termination is analyzed when it is illuminated by an external plane wave. The analysis is based on a self-consistent multiple scattering method which accounts for the multiple wave interactions between the open end and the interior termination. The scattering matrices which described the reflection and transmission coefficients of the waveguide modes reflected and transmitted at each junction between the different waveguide sections, as well at the scattering from the edges at the open end are found via asymptotic high frequency methods such as the geometrical and physical theories of diffraction used in conjunction with the equivalent current method. The numerical results for an S-shaped inlet cavity are compared with the backscatter from a straight inlet cavity; the backscattered patterns are different because the curvature of an S-shaped inlet cavity redistributes the energy reflected from the interior termination in a way that is different from a straight inlet cavity.

Chemical and valence reconstruction at the surface of SmB6 revealed by means of resonant soft x-ray reflectometry

NASA Astrophysics Data System (ADS)

Zabolotnyy, V. B.; Fürsich, K.; Green, R. J.; Lutz, P.; Treiber, K.; Min, Chul-Hee; Dukhnenko, A. V.; Shitsevalova, N. Y.; Filipov, V. B.; Kang, B. Y.; Cho, B. K.; Sutarto, R.; He, Feizhou; Reinert, F.; Inosov, D. S.; Hinkov, V.

2018-05-01

Samarium hexaboride (SmB6), a Kondo insulator with mixed valence, has recently attracted much attention as a possible host for correlated topological surface states. Here, we use a combination of x-ray absorption and reflectometry techniques, backed up with a theoretical model for the resonant M4 ,5 absorption edge of Sm and photoemission data, to establish laterally averaged chemical and valence depth profiles at the surface of SmB6. We show that upon cleaving, the highly polar (001) surface of SmB6 undergoes substantial chemical and valence reconstruction, resulting in boron termination and a Sm3 + dominated subsurface region. Whereas at room temperature, the reconstruction occurs on a timescale of less than 2 h, it takes about 24 h below 50 K. The boron termination is eventually established, irrespective of the initial termination. Our findings reconcile earlier depth resolved photoemission and scanning tunneling spectroscopy studies performed at different temperatures and are important for better control of surface states in this system.

Terminator View of Mercury

NASA Image and Video Library

2014-07-02

Date acquired: May 05, 2014 Today's color image features both Mercury's terminator and limb. The terminator is the striking separation of night and day on Mercury. It is seen in this image with the change from dark, on the left of the image, to light. Mercury's limb is also captured, as we can see the edge between sunlit Mercury and space. The MESSENGER spacecraft is the first ever to orbit the planet Mercury, and the spacecraft's seven scientific instruments and radio science investigation are unraveling the history and evolution of the Solar System's innermost planet. During the first two years of orbital operations, MESSENGER acquired over 150,000 images and extensive other data sets. MESSENGER is capable of continuing orbital operations until early 2015. Credit: NASA/Johns Hopkins University Applied Physics Laboratory/Carnegie Institution of Washington NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

Closed Form Equations for the Preliminary Design of a Heat-Pipe-Cooled Leading Edge

NASA Technical Reports Server (NTRS)

Glass, David E.

1998-01-01

A set of closed form equations for the preliminary evaluation and design of a heat-pipe-cooled leading edge is presented. The set of equations can provide a leading-edge designer with a quick evaluation of the feasibility of using heat-pipe cooling. The heat pipes can be embedded in a metallic or composite structure. The maximum heat flux, total integrated heat load, and thermal properties of the structure and heat-pipe container are required input. The heat-pipe operating temperature, maximum surface temperature, heat-pipe length, and heat pipe-spacing can be estimated. Results using the design equations compared well with those from a 3-D finite element analysis for both a large and small radius leading edge.

Wrinkling reduction of membrane structure by trimming edges

NASA Astrophysics Data System (ADS)

Liu, Mingjun; Huang, Jin; Liu, Mingyue

2017-05-01

Thin membranes have negligible bending stiffness, compressive stresses inevitably lead to wrinkling. Therefore, it is important to keep the surface of membrane structures flat in order to guarantee high precision. Edge-trimming is an effective method to passively diminish wrinkles, however a key difficulty in this process is the determination of the optimal trimming level. In this paper, regular polygonal membrane structures subjected to equal radial forces were analyzed, and a new stress field distribution model for arc-edge square membrane structure was proposed to predict the optimal trimming level. This model is simple and applicable to any polygonal membrane structures. Comparison among the results of the finite element analysis, and the experimental and analytical results showed that the proposed model accurately described the stress field distribution and guaranteed that there are no wrinkles appear inside the effective inscribed circle region for the optimal trimming level.

View of structures at rear of parcel with 12' scale ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

View of structures at rear of parcel with 12' scale (in tenths). From right: edge of Round House, Pencil house, Shell House, edge of School House. Heart Shrine made from mortared car headlights at frame left. Camera facing east. - Grandma Prisbrey's Bottle Village, 4595 Cochran Street, Simi Valley, Ventura County, CA

Detailed intermolecular structure of molecular liquids containing slightly distorted tetrahedral molecules with C(3v) symmetry: chloroform, bromoform, and methyl-iodide.

PubMed

Pothoczki, Szilvia; Temleitner, László; Pusztai, László

2011-01-28

Analyses of the intermolecular structure of molecular liquids containing slightly distorted tetrahedral molecules of the CXY(3)-type are described. The process is composed of the determination of several different distance-dependent orientational correlation functions, including ones that are introduced here. As a result, a complete structure classification could be provided for CXY(3) molecular liquids, namely for liquid chloroform, bromoform, and methyl-iodide. In the present work, the calculations have been conducted on particle configurations resulting from reverse Monte Carlo computer modeling: these particle arrangements have the advantage that they are fully consistent with structure factors from neutron and x-ray diffraction measurements. It has been established that as the separation between neighboring molecules increases, the dominant mutual orientations change from face-to-face to edge-to-edge, via the edge-to-face arrangements. Depending on the actual liquid, these geometrical elements (edges and faces of the distorted tetrahedra) were found to contain different atoms. From the set of liquids studied here, the structure of methyl-iodide was found to be easiest to describe on the basis of pure steric effects (molecular shape, size, and density) and the structure of liquid chloroform seems to be the furthest away from the corresponding "flexible fused hard spheres" like reference system.

Effect of interaction strength on robustness of controlling edge dynamics in complex networks

NASA Astrophysics Data System (ADS)

Pang, Shao-Peng; Hao, Fei

2018-05-01

Robustness plays a critical role in the controllability of complex networks to withstand failures and perturbations. Recent advances in the edge controllability show that the interaction strength among edges plays a more important role than network structure. Therefore, we focus on the effect of interaction strength on the robustness of edge controllability. Using three categories of all edges to quantify the robustness, we develop a universal framework to evaluate and analyze the robustness in complex networks with arbitrary structures and interaction strengths. Applying our framework to a large number of model and real-world networks, we find that the interaction strength is a dominant factor for the robustness in undirected networks. Meanwhile, the strongest robustness and the optimal edge controllability in undirected networks can be achieved simultaneously. Different from the case of undirected networks, the robustness in directed networks is determined jointly by the interaction strength and the network's degree distribution. Moreover, a stronger robustness is usually associated with a larger number of driver nodes required to maintain full control in directed networks. This prompts us to provide an optimization method by adjusting the interaction strength to optimize the robustness of edge controllability.

The impact of edge effect on termite community (Blattodea: Isoptera) in fragments of Brazilian Atlantic Rainforest.

PubMed

Almeida, C S; Cristaldo, P F; Florencio, D F; Ribeiro, E J M; Cruz, N G; Silva, E A; Costa, D A; Araújo, A P A

2017-01-01

Habitat fragmentation is considered to be one of the biggest threats to tropical ecosystem functioning. In this region, termites perform an important ecological role as decomposers and ecosystem engineers. In the present study, we tested whether termite community is negatively affected by edge effects on three fragments of Brazilian Atlantic Rainforest. Termite abundance and vegetation structure were sampled in 10 transects (15 × 2 m), while termite richness, activity, and soil litter biomass were measured in 16 quadrants (5 × 2 m) at forest edge and interior of each fragment. Habitat structure (i.e. number of tree, diameter at breast height and soil litter biomass) did not differ between forest edge and interior of fragments. Termite richness, abundance and activity were not affected by edge effect. However, differences were observed in the β diversity between forest edge and interior as well as in the fragments sampled. The β diversity partitioning indicates that species turnover is the determinant process of termite community composition under edge effect. Our results suggest that conservation strategies should be based on the selection of several distinct sites instead of few rich sites (e.g. nesting).

Structural Controls of the Emerson Pass Geothermal System, Washoe County, Nevada

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, Ryan B; Faulds, James E

We have conducted a detailed geologic study to better characterize a blind geothermal system in Emerson Pass on the Pyramid Lake Paiute Tribe Reservation, western Nevada. A thermal anomaly was discovered in Emerson Pass by use of 2 m temperature surveys deployed within a structurally favorable setting and proximal to surface features indicative of geothermal activity. The anomaly lies at the western edge of a broad left step at the northeast end of Pyramid Lake between the north- to north-northeast-striking, west-dipping, Fox and Lake Range normal faults. The 2-m temperature surveys have defined a N-S elongate thermal anomaly that hasmore » a maximum recorded temperature of ~60°C and resides on a north- to north-northeaststriking fault. Travertine mounds, chalcedonic silica veins, and silica cemented Pleistocene lacustrine gravels in Emerson Pass indicate a robust geothermal system active at the surface in the recent past. Structural complexity and spatial heterogeneities of the strain and stress field have developed in the step-over region, but kinematic data suggest a WNW-trending (~280° azimuth) extension direction. The geothermal system is likely hosted in Emerson Pass as a result of enhanced permeability generated by the intersection of two oppositely dipping, southward terminating north- to north-northwest-striking (Fox Range fault) and northnortheast- striking faults.« less

Laboratory demonstration of lightning strike pattern on different roof tops installed with Franklin Rods

NASA Astrophysics Data System (ADS)

Ullah, Irshad; Baharom, MNR; Ahmed, H.; Luqman, HM.; Zainal, Zainab

2017-11-01

Protection against lightning is always a challenging job for the researcher. The consequences due to lightning on different building shapes needs a comprehensive knowledge in order to provide the information to the common man. This paper is mainly concern with lightning pattern when it strikes on the building with different shape. The work is based on the practical experimental work in high voltage laboratory. Different shapes of the scaled structures have been selected in order to investigate the equal distribution of lightning voltage. The equal distribution of lightning voltage will provide the maximum probability of lightning strike on air terminal of the selected shapes. Building shapes have a very important role in lightning protection. The shapes of the roof tops have different geometry and the Franklin rod installation is also varies with changing the shape of the roof top. According to the ambient weather condition of Malaysia high voltage impulse is applied on the lightning rod installed on different geometrical shape. The equal distribution of high voltage impulse is obtained as the geometry of the scaled structure is identical and the air gap for all the tested object is kept the same. This equal distribution of the lightning voltage also proves that the probability of lightning strike is on the corner and the edges of the building structure.

Gravity interpretation to image the geologic structures of the coastal zone in Al Qunfudhah area, southwest Saudi Arabia

NASA Astrophysics Data System (ADS)

Sulaiman, Aseem; Elawadi, Eslam; Mogren, Saad

2018-06-01

This study provides interpretation and modeling of gravity survey data to map the subsurface basement relief and controlling structures of a coastal area in the southwestern part of Saudi Arabia as an aid to groundwater potential assessment. The gravity survey data were filtered and analyzed using different edge detection and depth estimation techniques and concluded by 2-D modeling conducted along representative profiles to obtain the topography and depth variations of the basement surface in the area. The basement rocks are exposed in the eastern part of the area but dip westward beneath a sedimentary cover to depths of up to 2200 m in the west, while showing repeated topographic expressions related to a tilted fault-block structure that is dominant in the Red Sea rift zone. Two fault systems were recognized in the area. The first is a normal fault system trending in the NNW-SSE direction that is related to the Red Sea rift, and the second is a cross-cutting oblique fault system trending in the NE-SW direction. The interaction between these two fault systems resulted in the formation of a set of closed basins elongated in the NNW-SSE direction and terminated by the NE-SW fault system. The geomorphology and sedimentary sequences of these basins qualify them as potential regions of groundwater accumulation.

Edge Density Imaging: Mapping the Anatomic Embedding of the Structural Connectome Within the White Matter of the Human Brain

PubMed Central

Owen, Julia P.; Chang, Yi-Shin; Mukherjee, Pratik

2015-01-01

The structural connectome has emerged as a powerful tool to characterize the network architecture of the human brain and shows great potential for generating important new biomarkers for neurologic and psychiatric disorders. The edges of the cerebral graph traverse white matter to interconnect cortical and subcortical nodes, although the anatomic embedding of these edges is generally overlooked in the literature. Mapping the paths of the connectome edges could elucidate the relative importance of individual white matter tracts to the overall network topology of the brain and also lead to a better understanding of the effect of regionally-specific white matter pathology on cognition and behavior. In this work, we introduce edge density imaging (EDI), which maps the number of network edges that pass through every white matter voxel. Test-retest analysis shows good to excellent reliability for edge density (ED) measurements, with consistent results using different cortical and subcortical parcellation schemes and different diffusion MR imaging acquisition parameters. We also demonstrate that ED yields complementary information to both traditional and emerging voxel-wise metrics of white matter microstructure and connectivity, including fractional anisotropy, track density, fiber orientation dispersion and neurite density. Our results demonstrate spatially ordered variations of ED throughout the white matter, notably including greater ED in posterior than anterior cerebral white matter. The EDI framework is employed to map the white matter regions that are enriched with pathways connecting rich club nodes and also those with high densities of intra-modular and inter-modular edges. We show that periventricular white matter has particularly high ED and high densities of rich club edges, which is significant for diseases in which these areas are selectively affected, ranging from white matter injury of prematurity in infants to leukoaraiosis in the elderly. Using edge betweenness centrality, we identify specific white matter regions involved in a large number of shortest paths, some containing highly connected rich club edges while others are relatively isolated within individual modules. Overall, these findings reveal an intricate relationship between white matter anatomy and the structural connectome, motivating further exploration of EDI for biomarkers of cognition and behavior. PMID:25592996

Soft edges--organizational structure in dental education.

PubMed

Chambers, D W

1995-03-01

There is no one best organizational structure for dental schools or for their major subunits. The classical alternatives of functional and divisional organization are discussed in light of the rule that follows function, and the advantages and disadvantages of each are presented. Newer models--decentralization, matrix, and heterarchy--show how features of functional and divisional structure can be blended. Virtual organizations, systems theory, and networks are also considered as new expressions of classical structures. The principle of suboptimization (soft edges) is presented.

Oblique along path toward structures at rear of parcel. Original ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Oblique along path toward structures at rear of parcel. Original skinny mosaic path along edge of structures was altered (delineation can be seen in concrete) path was widened with a newer mosaic to make access to the site safer. Structures (from right) edge of Round House (with "Spring Garden"), Pencil house, Shell House, School House, wood lattice is attached to chain-link fence along north (rear) property line. These structures were all damaged by the 1994 Northridge earthquake. Camera facing northeast. - Grandma Prisbrey's Bottle Village, 4595 Cochran Street, Simi Valley, Ventura County, CA

Understanding the Electronic Structure of 4d Metal Complexes: From Molecular Spinors to L-Edge Spectra of a di-Ru Catalyst

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alperovich, Igor; Smolentsev, Grigory; Moonshiram, Dooshaye

2015-09-17

L{sub 2,3}-edge X-ray absorption spectroscopy (XAS) has demonstrated unique capabilities for the analysis of the electronic structure of di-Ru complexes such as the blue dimer cis,cis-[Ru{sub 2}{sup III}O(H{sub 2}O){sub 2}(bpy){sub 4}]{sup 4+} water oxidation catalyst. Spectra of the blue dimer and the monomeric [Ru(NH{sub 3}){sub 6}]{sup 3+} model complex show considerably different splitting of the Ru L{sub 2,3} absorption edge, which reflects changes in the relative energies of the Ru 4d orbitals caused by hybridization with a bridging ligand and spin-orbit coupling effects. To aid the interpretation of spectroscopic data, we developed a new approach, which computes L{sub 2,3}-edges XASmore » spectra as dipole transitions between molecular spinors of 4d transition metal complexes. This allows for careful inclusion of the spin-orbit coupling effects and the hybridization of the Ru 4d and ligand orbitals. The obtained theoretical Ru L{sub 2,3}-edge spectra are in close agreement with experiment. Critically, existing single-electron methods (FEFF, FDMNES) broadly used to simulate XAS could not reproduce the experimental Ru L-edge spectra for the [Ru(NH{sub 3}){sub 6}]{sup 3+} model complex nor for the blue dimer, while charge transfer multiplet (CTM) calculations were not applicable due to the complexity and low symmetry of the blue dimer water oxidation catalyst. We demonstrated that L-edge spectroscopy is informative for analysis of bridging metal complexes. The developed computational approach enhances L-edge spectroscopy as a tool for analysis of the electronic structures of complexes, materials, catalysts, and reactive intermediates with 4d transition metals.« less

A computational NMR study on zigzag aluminum nitride nanotubes

NASA Astrophysics Data System (ADS)

Bodaghi, Ali; Mirzaei, Mahmoud; Seif, Ahmad; Giahi, Masoud

2008-12-01

A computational nuclear magnetic resonance (NMR) study is performed to investigate the electronic structure properties of the single-walled zigzag aluminum nitride nanotubes (AlNNTs). The chemical-shielding (CS) tensors are calculated at the sites of Al-27 and N-15 nuclei in three structural forms of AlNNT including H-saturated, Al-terminated, and N-terminated ones. The structural forms are firstly optimized and then the calculated CS tensors in the optimized structures are converted to chemical-shielding isotropic (CSI) and chemical-shielding anisotropic (CSA) parameters. The calculated parameters reveal that various Al-27 and N-15 nuclei are divided into some layers with equivalent electrostatic properties; furthermore, Al and N can act as Lewis base and acid, respectively. In the Al-terminated and N-terminated forms of AlNNT, in which one mouth of the nanotube is terminated by aluminum and nitrogen nuclei, respectively, just the CS tensors of the nearest nuclei to the mouth of the nanotube are significantly changed due to removal of saturating hydrogen atoms. Density functional theory (DFT) calculations are performed using GAUSSIAN 98 package of program.

Structure and Misfolding of the Flexible Tripartite Coiled-Coil Domain of Glaucoma-Associated Myocilin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hill, Shannon E.; Nguyen, Elaine; Donegan, Rebecca K.

2017-11-01

Glaucoma-associated myocilin is a member of the olfactomedins, a protein family involved in neuronal development and human diseases. Molecular studies of the myocilin N-terminal coiled coil demonstrate a unique tripartite architecture: a Y-shaped parallel dimer-of-dimers with distinct tetramer and dimer regions. The structure of the dimeric C-terminal 7-heptad repeats elucidates an unexpected repeat pattern involving inter-strand stabilization by oppositely charged residues. Molecular dynamics simulations reveal an alternate accessible conformation in which the terminal inter-strand disulfide limits the extent of unfolding and results in a kinked configuration. By inference, full-length myocilin is also branched, with two pairs of C-terminal olfactomedin domains.more » Selected variants within the N-terminal region alter the apparent quaternary structure of myocilin but do so without compromising stability or causing aggregation. In addition to increasing our structural knowledge of naturally occurring extracellular coiled coils and biomedically important olfactomedins, this work broadens the scope of protein misfolding in the pathogenesis of myocilin-associated glaucoma.« less

Effect of Surface Termination on the Electonic Properties of LaNiO₃ Films

DOE PAGES

Kumah, Divine P.; Malashevich, Andrei; Disa, Ankit S.; ...

2014-11-06

The electronic and structural properties of thin LaNiO₃ films grown by using molecular beam epitaxy are studied as a function of the net ionic charge of the surface terminating layer. We demonstrate that electronic transport in nickelate heterostructures can be manipulated through changes in the surface termination due to a strong coupling of the surface electrostatic properties to the structural properties of the Ni—O bonds that govern electronic conduction. We observe experimentally and from first-principles theory an asymmetric response of the structural properties of the films to the sign of the surface charge, which results from a strong interplay betweenmore » electrostatic and mechanical boundary conditions governing the system. The structural response results in ionic buckling in the near-surface NiO₂ planes for films terminated with negatively charged NiO₂ and bulklike NiO₂ planes for films terminated with positively charged LaO planes. The ability to modify transport properties by the deposition of a single atomic layer can be used as a guiding principle for nanoscale device fabrication.« less

Structure and Misfolding of the Flexible Tripartite Coiled-Coil Domain of Glaucoma-Associated Myocilin.

PubMed

Hill, Shannon E; Nguyen, Elaine; Donegan, Rebecca K; Patterson-Orazem, Athéna C; Hazel, Anthony; Gumbart, James C; Lieberman, Raquel L

2017-11-07

Glaucoma-associated myocilin is a member of the olfactomedins, a protein family involved in neuronal development and human diseases. Molecular studies of the myocilin N-terminal coiled coil demonstrate a unique tripartite architecture: a Y-shaped parallel dimer-of-dimers with distinct tetramer and dimer regions. The structure of the dimeric C-terminal 7-heptad repeats elucidates an unexpected repeat pattern involving inter-strand stabilization by oppositely charged residues. Molecular dynamics simulations reveal an alternate accessible conformation in which the terminal inter-strand disulfide limits the extent of unfolding and results in a kinked configuration. By inference, full-length myocilin is also branched, with two pairs of C-terminal olfactomedin domains. Selected variants within the N-terminal region alter the apparent quaternary structure of myocilin but do so without compromising stability or causing aggregation. In addition to increasing our structural knowledge of naturally occurring extracellular coiled coils and biomedically important olfactomedins, this work broadens the scope of protein misfolding in the pathogenesis of myocilin-associated glaucoma. Copyright © 2017 Elsevier Ltd. All rights reserved.

Terminal structures of West Nile virus genomic RNA and their interactions with viral NS5 protein

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong Hongping; Zhang Bo; Shi Peiyong

2008-11-10

Genome cyclization is essential for flavivirus replication. We used RNases to probe the structures formed by the 5'-terminal 190 nucleotides and the 3'-terminal 111 nucleotides of the West Nile virus (WNV) genomic RNA. When analyzed individually, the two RNAs adopt stem-loop structures as predicted by the thermodynamic-folding program. However, when mixed together, the two RNAs form a duplex that is mediated through base-pairings of two sets of RNA elements (5'CS/3'CSI and 5'UAR/3'UAR). Formation of the RNA duplex facilitates a conformational change that leaves the 3'-terminal nucleotides of the genome (position - 8 to - 16) to be single-stranded. Viral NS5more » binds specifically to the 5'-terminal stem-loop (SL1) of the genomic RNA. The 5'SL1 RNA structure is essential for WNV replication. The study has provided further evidence to suggest that flavivirus genome cyclization and NS5/5'SL1 RNA interaction facilitate NS5 binding to the 3' end of the genome for the initiation of viral minus-strand RNA synthesis.« less

Structure of the N-terminal fragment of Escherichia coli Lon protease

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Mi; Basic Research Program, SAIC-Frederick, Frederick, MD 21702; Gustchina, Alla

2010-08-01

The medium-resolution structure of the N-terminal fragment of E. coli Lon protease shows that this part of the enzyme consists of two compact domains and a very long α-helix. The structure of a recombinant construct consisting of residues 1–245 of Escherichia coli Lon protease, the prototypical member of the A-type Lon family, is reported. This construct encompasses all or most of the N-terminal domain of the enzyme. The structure was solved by SeMet SAD to 2.6 Å resolution utilizing trigonal crystals that contained one molecule in the asymmetric unit. The molecule consists of two compact subdomains and a very longmore » C-terminal α-helix. The structure of the first subdomain (residues 1–117), which consists mostly of β-strands, is similar to that of the shorter fragment previously expressed and crystallized, whereas the second subdomain is almost entirely helical. The fold and spatial relationship of the two subdomains, with the exception of the C-terminal helix, closely resemble the structure of BPP1347, a 203-amino-acid protein of unknown function from Bordetella parapertussis, and more distantly several other proteins. It was not possible to refine the structure to satisfactory convergence; however, since almost all of the Se atoms could be located on the basis of their anomalous scattering the correctness of the overall structure is not in question. The structure reported here was also compared with the structures of the putative substrate-binding domains of several proteins, showing topological similarities that should help in defining the binding sites used by Lon substrates.« less

Vaccinia Virus Immunomodulator A46: A Lipid and Protein-Binding Scaffold for Sequestering Host TIR-Domain Proteins

PubMed Central

Radakovics, Katharina; Smith, Terry K.; Bobik, Nina; Round, Adam; Djinović-Carugo, Kristina; Usón, Isabel

2016-01-01

Vaccinia virus interferes with early events of the activation pathway of the transcriptional factor NF-kB by binding to numerous host TIR-domain containing adaptor proteins. We have previously determined the X-ray structure of the A46 C-terminal domain; however, the structure and function of the A46 N-terminal domain and its relationship to the C-terminal domain have remained unclear. Here, we biophysically characterize residues 1–83 of the N-terminal domain of A46 and present the X-ray structure at 1.55 Å. Crystallographic phases were obtained by a recently developed ab initio method entitled ARCIMBOLDO_BORGES that employs tertiary structure libraries extracted from the Protein Data Bank; data analysis revealed an all β-sheet structure. This is the first such structure solved by this method which should be applicable to any protein composed entirely of β-sheets. The A46(1–83) structure itself is a β-sandwich containing a co-purified molecule of myristic acid inside a hydrophobic pocket and represents a previously unknown lipid-binding fold. Mass spectrometry analysis confirmed the presence of long-chain fatty acids in both N-terminal and full-length A46; mutation of the hydrophobic pocket reduced the lipid content. Using a combination of high resolution X-ray structures of the N- and C-terminal domains and SAXS analysis of full-length protein A46(1–240), we present here a structural model of A46 in a tetrameric assembly. Integrating affinity measurements and structural data, we propose how A46 simultaneously interferes with several TIR-domain containing proteins to inhibit NF-κB activation and postulate that A46 employs a bipartite binding arrangement to sequester the host immune adaptors TRAM and MyD88. PMID:27973613

Molecular dynamics of the frame-shifting pseudoknot from beet western yellows virus: the role of non-Watson-Crick base-pairing, ordered hydration, cation binding and base mutations on stability and unfolding.

PubMed

Csaszar, K; Spacková, N; Stefl, R; Sponer, J; Leontis, N B

2001-11-09

Molecular dynamics simulations of the frame-shifting pseudoknot from beet western yellows virus (BWYV, NDB file UR0004) were performed with explicit inclusion of solvent and counterions. In all, 33 ns of simulation were carried out, including 10 ns of the native structure with protonation of the crucial cytosine residue, C8(N3+). The native structure exhibited stable trajectories retaining all Watson-Crick and tertiary base-pairs, except for fluctuations or transient disruptions at specific sites. The most significant fluctuations involved the change or disruption of hydrogen-bonding between C8(N3+) and bases G12, A25, and C26, as well as disruption of the water bridges linking C8(N3+) with A25 and C26. To increase sampling of rare events, the native simulation was continued at 400 K. A partial, irreversible unfolding of the molecule was initiated by slippage of C8(N3+) relative to G12 and continued by sudden concerted changes in hydrogen-bonding involving A23, A24, and A25. These events were followed by a gradual loss of stacking interactions in loop 2. Of the Watson-Crick base-pairs, only the 5'-terminal pair of stem 1 dissociated at 400 K, while the trans sugar-edge/sugar-edge A20.G4 interaction remained surprisingly stable. Four additional room-temperature simulations were carried out to obtain insights into the structural and dynamic effects of selected mutations. In two of these, C8 was left unprotonated. Considerable local rearrangements occurred that were not observed in the crystal structure, thus confirming N3-protonation of C8 in the native molecule. We also investigated the effect of mutating C8(N3+) to U8, to correlate with experimental and phylogenetic studies, and of changing the G4 x C17 base-pair to A4 x U17 to weaken the trans sugar-edge interaction between positions 4 and 20 and to test models of unfolding. The simulations indicate that the C8 x G12 x C26 base-triple at the junction is the most labile region of the frame-shifting pseudoknot. They provide insights into the roles of the other non-Watson-Crick base-pairs in the early stages of unfolding of the pseudoknot, which must occur to allow readthrough of the message by the ribosome. The simulations revealed several critical, highly ordered hydration sites with close to 100 % occupancies and residency times of individual water molecules of up to 5 ns. Sodium cation coordination sites with occupancies above 50 % were also observed. Copyright 2001 Academic Press.

UTa 2O(S 2) 3Cl 6: A ribbon structure containing a heterobimetallic 5 d-5 f M 3 cluster

NASA Astrophysics Data System (ADS)

Wells, Daniel M.; Chan, George H.; Ellis, Donald E.; Ibers, James A.

2010-02-01

A new solid-state compound containing a heterobimetallic cluster of U and Ta, UTa 2O(S 2) 3Cl 6, has been synthesized and its structure has been characterized by single-crystal X-ray diffraction methods. UTa 2O(S 2) 3Cl 6 was synthesized from UCl 4 and Ta 1.2S 2 at 883 K. The O is believed to have originated in the Ta 1.2S 2 reactant. The compound crystallizes in the space group P1¯ of the triclinic system. The structure comprises a UTa 2 unit bridged by μ 2-S 2 and μ 3-O groups. Each Ta atom bonds to two μ 2-S 2, the μ 3-O, and two terminal Cl atoms. Each U atom bonds to two μ 2-S 2, the μ 3-O, and four Cl atoms. The Cl atoms bridge in pairs to neighboring U atoms to form a ribbon structure. The bond distances are normal and are consistent with formal oxidation states of +IV/+V/-II/-I/-I for U/Ta/O/S/Cl, respectively. The optical absorbance spectrum displays characteristic transition peaks near the absorption edge. Density functional theory was used to assign these peaks to transitions between S 1- valence-band states and empty U 5 f-6 d hybrid bands. Density-of-states analysis shows overlap between Ta 5 d and U bands, consistent with metal-metal interactions.

Electronic structure description of the cis-MoOS unit in models for molybdenum hydroxylases.

PubMed

Doonan, Christian J; Rubie, Nick D; Peariso, Katrina; Harris, Hugh H; Knottenbelt, Sushilla Z; George, Graham N; Young, Charles G; Kirk, Martin L

2008-01-09

The molybdenum hydroxylases catalyze the oxidation of numerous aromatic heterocycles and simple organics and, unlike other hydroxylases, utilize water as the source of oxygen incorporated into the product. The electronic structures of the cis-MoOS units in CoCp2[TpiPrMoVOS(OPh)] and TpiPrMoVIOS(OPh) (TpiPr = hydrotris(3-isopropylpyrazol-1-yl)borate), new models for molybdenum hydroxylases, have been studied in detail using S K-edge X-ray absorption spectroscopy, vibrational spectroscopy, and detailed bonding calculations. The results show a highly delocalized Mo=S pi* LUMO redox orbital that is formally Mo(dxy) with approximately 35% sulfido ligand character. Vibrational spectroscopy has been used to quantitate Mo-Ssulfido bond order changes in the cis-MoOS units as a function of redox state. Results support a redox active molecular orbital that has a profound influence on MoOS bonding through changes to the relative electro/nucleophilicity of the terminal sulfido ligand accompanying oxidation state changes. The bonding description for these model cis-MoOS systems supports enzyme mechanisms that are under orbital control and dominantly influenced by the unique electronic structure of the cis-MoOS site. The electronic structure of the oxidized enzyme site is postulated to play a role in polarizing a substrate carbon center for nucleophilic attack by metal activated water and acting as an electron sink in the two-electron oxidation of substrates.

Biophysical characterization of the calmodulin-like domain of Plasmodium falciparum calcium dependent protein kinase 3

PubMed Central

Andresen, Cecilia; Niklasson, Markus; Cassman Eklöf, Sofie; Wallner, Björn

2017-01-01

Calcium dependent protein kinases are unique to plants and certain parasites and comprise an N-terminal segment and a kinase domain that is regulated by a C-terminal calcium binding domain. Since the proteins are not found in man they are potential drug targets. We have characterized the calcium binding lobes of the regulatory domain of calcium dependent protein kinase 3 from the malaria parasite Plasmodium falciparum. Despite being structurally similar, the two lobes differ in several other regards. While the monomeric N-terminal lobe changes its structure in response to calcium binding and shows global dynamics on the sub-millisecond time-scale both in its apo and calcium bound states, the C-terminal lobe could not be prepared calcium-free and forms dimers in solution. If our results can be generalized to the full-length protein, they suggest that the C-terminal lobe is calcium bound even at basal levels and that activation is caused by the structural reorganization associated with binding of a single calcium ion to the N-terminal lobe. PMID:28746405

Constraint-based stereo matching

NASA Technical Reports Server (NTRS)

Kuan, D. T.

1987-01-01

The major difficulty in stereo vision is the correspondence problem that requires matching features in two stereo images. Researchers describe a constraint-based stereo matching technique using local geometric constraints among edge segments to limit the search space and to resolve matching ambiguity. Edge segments are used as image features for stereo matching. Epipolar constraint and individual edge properties are used to determine possible initial matches between edge segments in a stereo image pair. Local edge geometric attributes such as continuity, junction structure, and edge neighborhood relations are used as constraints to guide the stereo matching process. The result is a locally consistent set of edge segment correspondences between stereo images. These locally consistent matches are used to generate higher-level hypotheses on extended edge segments and junctions to form more global contexts to achieve global consistency.

Percutaneous edge-to-edge mitral valve repair in high-surgical-risk patients: do we hit the target?

PubMed

Van den Branden, Ben J L; Swaans, Martin J; Post, Martijn C; Rensing, Benno J W M; Eefting, Frank D; Jaarsma, Wybren; Van der Heyden, Jan A S

2012-01-01

This study sought to assess the feasibility and safety of percutaneous edge-to-edge mitral valve (MV) repair in patients with an unacceptably high operative risk. MV repair for mitral regurgitation (MR) can be accomplished by use of a clip that approximates the free edges of the mitral leaflets. All patients were declined for surgery because of a high logistic EuroSCORE (>20%) or the presence of other specific surgical risk factors. Transthoracic echocardiography was performed before and 6 months after the procedure. Differences in New York Heart Association (NYHA) functional class, quality of life (QoL) using the Minnesota questionnaire, and 6-min walk test (6-MWT) distances were reported. Fifty-five procedures were performed in 52 patients (69.2% male, age 73.2 ± 10.1 years, logistic EuroSCORE 27.1 ± 17.0%). In 3 patients, partial clip detachment occurred; a second clip was placed successfully. One patient experienced cardiac tamponade. Two patients developed inguinal bleeding, of whom 1 needed surgery. Six patients (11.5%) died during 6-month follow-up (5 patients as a result of progressive heart failure and 1 noncardiac death). The MR grade before repair was ≥3 in 100%; after 6 months, a reduction in MR grade to ≤2 was present in 79% of the patients. Left ventricular (LV) end-diastolic diameter, LV ejection fraction, and systolic pulmonary artery pressure improved significantly. Accompanied improvements in NYHA functional class, QoL index, 6-MWT distances, and log N-terminal pro-B-type natriuretic peptide were observed. In a high-risk population, MR reduction can be achieved by percutaneous edge-to-edge valve repair, resulting in LV remodeling with improvement of functional capacity after 6 months. Copyright © 2012 American College of Cardiology Foundation. Published by Elsevier Inc. All rights reserved.

Structure stability of lytic peptides during their interactions with lipid bilayers.

PubMed

Chen, H M; Lee, C H

2001-10-01

In this work, molecular dynamics simulations were used to examine the consequences of a variety of analogs of cecropin A on lipid bilayers. Analog sequences were constructed by replacing either the N- or C-terminal helix with the other helix in native or reverse sequence order, by making palindromic peptides based on both the N- and C-terminal helices, and by deleting the hinge region. The structure of the peptides was monitored throughout the simulation. The hinge region appeared not to assist in maintaining helical structure but help in motion flexibility. In general, the N-terminal helix of peptides was less stable than the C-terminal one during the interaction with anionic lipid bilayers. Sequences with hydrophobic helices tended to regain helical structure after an initial loss while sequences with amphipathic helices were less able to do this. The results suggests that hydrophobic design peptides have a high structural stability in an anionic membrane and are the candidates for experimental investigation.

Solution structure of the N-terminal domain of a replication restart primosome factor, PriC, in Escherichia coli

PubMed Central

Aramaki, Takahiko; Abe, Yoshito; Katayama, Tsutomu; Ueda, Tadashi

2013-01-01

In eubacterial organisms, the oriC-independent primosome plays an essential role in replication restart after the dissociation of the replication DNA-protein complex by DNA damage. PriC is a key protein component in the replication restart primosome. Our recent study suggested that PriC is divided into two domains: an N-terminal and a C-terminal domain. In the present study, we determined the solution structure of the N-terminal domain, whose structure and function have remained unknown until now. The revealed structure was composed of three helices and one extended loop. We also observed chemical shift changes in the heteronuclear NMR spectrum and oligomerization in the presence of ssDNA. These abilities may contribute to the PriC-ssDNA complex, which is important for the replication restart primosome. PMID:23868391

Summarisation of weighted networks

NASA Astrophysics Data System (ADS)

Zhou, Fang; Qu, Qiang; Toivonen, Hannu

2017-09-01

Networks often contain implicit structure. We introduce novel problems and methods that look for structure in networks, by grouping nodes into supernodes and edges to superedges, and then make this structure visible to the user in a smaller generalised network. This task of finding generalisations of nodes and edges is formulated as 'network Summarisation'. We propose models and algorithms for networks that have weights on edges, on nodes or on both, and study three new variants of the network summarisation problem. In edge-based weighted network summarisation, the summarised network should preserve edge weights as well as possible. A wider class of settings is considered in path-based weighted network summarisation, where the resulting summarised network should preserve longer range connectivities between nodes. Node-based weighted network summarisation in turn allows weights also on nodes and summarisation aims to preserve more information related to high weight nodes. We study theoretical properties of these problems and show them to be NP-hard. We propose a range of heuristic generalisation algorithms with different trade-offs between complexity and quality of the result. Comprehensive experiments on real data show that weighted networks can be summarised efficiently with relatively little error.

Effects of microrolling parameters on the microstructure and deformation behavior of pure copper

NASA Astrophysics Data System (ADS)

Jing, Yi; Zhang, Hong-mei; Wu, Hao; Li, Lian-jie; Jia, Hong-bin; Jiang, Zheng-yi

2018-01-01

Microrolling experiments and uniaxial tensile tests of pure copper under different annealing conditions were carried out in this paper. The effects of grain size and reduction on non-uniform deformation, edge cracking, and microstructure were studied. The experimental results showed that the side deformation became more non-uniform, resulting in substantial edge bulge, and the uneven spread increased with increasing grain size and reduction level. When the reduction level reached 80% and the grain size was 65 μm, slight edge cracks occurred. When the grain size was 200 μm, the edge cracks became wider and deeper. No edge cracks occurred when the grain size was 200 μm and the reduction level was less than 60%; edge cracks occurred when the reduction level was increased to 80%. As the reduction level increased, the grains were gradually elongated and appeared as a sheet-like structure along the rolling direction; a fine lamellar structure was obtained when the grain size was 20 μm and the reduction level was less than 60%.

Bayesian prestack seismic inversion with a self-adaptive Huber-Markov random-field edge protection scheme

NASA Astrophysics Data System (ADS)

Tian, Yu-Kun; Zhou, Hui; Chen, Han-Ming; Zou, Ya-Ming; Guan, Shou-Jun

2013-12-01

Seismic inversion is a highly ill-posed problem, due to many factors such as the limited seismic frequency bandwidth and inappropriate forward modeling. To obtain a unique solution, some smoothing constraints, e.g., the Tikhonov regularization are usually applied. The Tikhonov method can maintain a global smooth solution, but cause a fuzzy structure edge. In this paper we use Huber-Markov random-field edge protection method in the procedure of inverting three parameters, P-velocity, S-velocity and density. The method can avoid blurring the structure edge and resist noise. For the parameter to be inverted, the Huber-Markov random-field constructs a neighborhood system, which further acts as the vertical and lateral constraints. We use a quadratic Huber edge penalty function within the layer to suppress noise and a linear one on the edges to avoid a fuzzy result. The effectiveness of our method is proved by inverting the synthetic data without and with noises. The relationship between the adopted constraints and the inversion results is analyzed as well.

Dynamical Study of Femtosecond-Laser-Ablated Liquid-Aluminum Nanoparticles Using Spatiotemporally Resolved X-Ray-Absorption Fine-Structure Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oguri, Katsuya; Okano, Yasuaki; Nishikawa, Tadashi

2007-10-19

We study the temperature evolution of aluminum nanoparticles generated by femtosecond laser ablation with spatiotemporally resolved x-ray-absorption fine-structure spectroscopy. We successfully identify the nanoparticles based on the L-edge absorption fine structure of the ablation plume in combination with the dependence of the edge structure on the irradiation intensity and the expansion velocity of the plume. In particular, we show that the lattice temperature of the nanoparticles is estimated from the L-edge slope, and that its spatial dependence reflects the cooling of the nanoparticles during plume expansion. The results reveal that the emitted nanoparticles travel in a vacuum as a condensedmore » liquid phase with a lattice temperature of about 2500 to 4200 K in the early stage of plume expansion.« less

Operando Soft X-ray Absorption Spectroscopic Study on a Solid Oxide Fuel Cell Cathode during Electrochemical Oxygen Reduction.

PubMed

Nakamura, Takashi; Oike, Ryo; Kimura, Yuta; Tamenori, Yusuke; Kawada, Tatsuya; Amezawa, Koji

2017-05-09

An operando soft X-ray absorption spectroscopic technique, which enabled the analysis of the electronic structures of the electrode materials at elevated temperature in a controlled atmosphere and electrochemical polarization, was established and its availability was demonstrated by investigating the electronic structural changes of an La 2 NiO 4+δ dense-film electrode during an electrochemical oxygen reduction reaction. Clear O K-edge and Ni L-edge X-ray absorption spectra could be obtained below 773 K under an atmospheric pressure of 100 ppm O 2 /He, 0.1 % O 2 /He, and 1 % O 2 /He gas mixtures. Considerable spectral changes were observed in the O K-edge X-ray absorption spectra upon changing the PO2 and application of electrical potential, whereas only small spectral changes were observed in Ni L-edge X-ray absorption spectra. A pre-edge peak of the O K-edge X-ray absorption spectra, which reflects the unoccupied partial density of states of Ni 3d-O 2p hybridization, increased or decreased with cathodic or anodic polarization, respectively. The electronic structural changes of the outermost orbital of the electrode material due to electrochemical polarization were successfully confirmed by the operando X-ray absorption spectroscopic technique developed in this study. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Mitosis and Neurodevelopment Proteins NDE1 and NDEL1 Form Dimers, Tetramers, and Polymers with a Folded Back Structure in Solution*

PubMed Central

Soares, Dinesh C.; Bradshaw, Nicholas J.; Zou, Juan; Kennaway, Christopher K.; Hamilton, Russell S.; Chen, Zhuo A.; Wear, Martin A.; Blackburn, Elizabeth A.; Bramham, Janice; Böttcher, Bettina; Millar, J. Kirsty; Barlow, Paul N.; Walkinshaw, Malcolm D.; Rappsilber, Juri; Porteous, David J.

2012-01-01

Paralogs NDE1 (nuclear distribution element 1) and NDEL1 (NDE-like 1) are essential for mitosis and neurodevelopment. Both proteins are predicted to have similar structures, based upon high sequence similarity, and they co-complex in mammalian cells. X-ray diffraction studies and homology modeling suggest that their N-terminal regions (residues 8–167) adopt continuous, extended α-helical coiled-coil structures, but no experimentally derived information on the structure of their C-terminal regions or the architecture of the full-length proteins is available. In the case of NDE1, no biophysical data exists. Here we characterize the structural architecture of both full-length proteins utilizing negative stain electron microscopy along with our established paradigm of chemical cross-linking followed by tryptic digestion, mass spectrometry, and database searching, which we enhance using isotope labeling for mixed NDE1-NDEL1. We determined that full-length NDE1 forms needle-like dimers and tetramers in solution, similar to crystal structures of NDEL1, as well as chain-like end-to-end polymers. The C-terminal domain of each protein, required for interaction with key protein partners dynein and DISC1 (disrupted-in-schizophrenia 1), includes a predicted disordered region that allows a bent back structure. This facilitates interaction of the C-terminal region with the N-terminal coiled-coil domain and is in agreement with previous results showing N- and C-terminal regions of NDEL1 and NDE1 cooperating in dynein interaction. It sheds light on recently identified mutations in the NDE1 gene that cause truncation of the encoded protein. Additionally, analysis of mixed NDE1-NDEL1 complexes demonstrates that NDE1 and NDEL1 can interact directly. PMID:22843697

Structural studies reveal an important role for the pleiotrophin C-terminus in mediating interactions with chondroitin sulfate.

PubMed

Ryan, Eathen; Shen, Di; Wang, Xu

2016-04-01

Pleiotrophin (PTN) is a potent glycosaminoglycan-binding cytokine that is important in neural development, angiogenesis and tissue regeneration. Much of its activity is attributed to its interactions with the chondroitin sulfate (CS) proteoglycan, receptor type protein tyrosine phosphatase ζ (PTPRZ). However, there is little high resolution structural information on the interactions between PTN and CS, nor is it clear why the C-terminal tail of PTN is necessary for signaling through PTPRZ, even though it does not contribute to heparin binding. We determined the first structure of PTN and analyzed its interactions with CS. Our structure shows that PTN possesses large basic surfaces on both of its structured domains and also that residues in the hinge segment connecting the domains have significant contacts with the C-terminal domain. Our analysis of PTN-CS interactions showed that the C-terminal tail of PTN is essential for maintaining stable interactions with chondroitin sulfate A, the type of CS commonly found on PTPRZ. These results offer the first possible explanation of why truncated PTN missing the C-terminal tail is unable to signal through PTPRZ. NMR analysis of the interactions of PTN with CS revealed that the C-terminal domain and hinge of PTN make up the major CS-binding site in PTN, and that removal of the C-terminal tail weakened the affinity of the site for CSA but not for other high sulfation density CS. Coordinates of the ensemble of ten PTN structures have been deposited in RCSB under accession number 2n6f. Chemical shifts assignments and structural constraints have been deposited in BMRB under accession number 25762. © 2016 Federation of European Biochemical Societies.

Effect of edge pruning on structural controllability and observability of complex networks

PubMed Central

Mengiste, Simachew Abebe; Aertsen, Ad; Kumar, Arvind

2015-01-01

Controllability and observability of complex systems are vital concepts in many fields of science. The network structure of the system plays a crucial role in determining its controllability and observability. Because most naturally occurring complex systems show dynamic changes in their network connectivity, it is important to understand how perturbations in the connectivity affect the controllability of the system. To this end, we studied the control structure of different types of artificial, social and biological neuronal networks (BNN) as their connections were progressively pruned using four different pruning strategies. We show that the BNNs are more similar to scale-free networks than to small-world networks, when comparing the robustness of their control structure to structural perturbations. We introduce a new graph descriptor, ‘the cardinality curve’, to quantify the robustness of the control structure of a network to progressive edge pruning. Knowing the susceptibility of control structures to different pruning methods could help design strategies to destroy the control structures of dangerous networks such as epidemic networks. On the other hand, it could help make useful networks more resistant to edge attacks. PMID:26674854

Structural insights into the backbone-circularized granulocyte colony-stimulating factor containing a short connector.

PubMed

Miyafusa, Takamitsu; Shibuya, Risa; Honda, Shinya

2018-06-02

Backbone circularization is a powerful approach for enhancing the structural stability of polypeptides. Herein, we present the crystal structure of the circularized variant of the granulocyte colony-stimulating factor (G-CSF) in which the terminal helical region was circularized using a short, two-amino acid connector. The structure revealed that the N- and C-termini were indeed connected by a peptide bond. The local structure of the C-terminal region transited from an α helix to 3 10 helix with a bend close to the N-terminal region, indicating that the structural change offset the insufficient length of the connector. This is the first-ever report of a crystal structure of the backbone of a circularized protein. It will facilitate the development of backbone circularization methodology. Copyright © 2018 Elsevier Inc. All rights reserved.

75 FR 11936 - Unit Structures LLC, Magnolia, AR; Notice of Termination of Investigation

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-12

... DEPARTMENT OF LABOR Employment and Training Administration [TA-W-70,367] Unit Structures LLC, Magnolia, AR; Notice of Termination of Investigation Pursuant to Section 223 of the Trade Act of 1974, as... Arkansas Rapid Response Coordinator on behalf of workers of Unit Structures LLC, Magnolia, Arkansas. The...

InAs Band-Edge Exciton Fine Structure

DTIC Science & Technology

2015-07-29

Chapter 1 InAs Band-Edge Exciton Fine Structure 1.1 Contributions This work was carried out in collaboration with Oscar Sandoval, a summer student at...diffusion,1,2 charg- ing,2,3 and excitonic fine structure.1,3–9 While spectral diffusion and charging are most likely photoinduced effects and thus can be...unavoidable. A complete understanding of the excitonic 1 Distribution A: Public Release energy landscape enables us to determine dephasing rates

Charleston Harbor Deepening Project. Charleston Harbor and Shipyard River, South Carolina.

DTIC Science & Technology

1976-04-01

between the two basins to 250 feet; enlargement of the 0 anchorage basin near the harbor mouth by deepening to a depth of 40 feet and by extending the...and 0 Wando River; and the relocating of channels near terminals to provide 125-foot clearance between piers and the edge of the channel. * 0 0...materials; localized adverse effects on plankton and primary productivity; minor losses of larval and juvenile fishes near the dredge and disposal areas

Core-shell photoabsorption and photoelectron spectra of gas-phase pentacene: experiment and theory.

PubMed

Alagia, Michele; Baldacchini, Chiara; Betti, Maria Grazia; Bussolotti, Fabio; Carravetta, Vincenzo; Ekström, Ulf; Mariani, Carlo; Stranges, Stefano

2005-03-22

The C K-edge photoabsorption and 1s core-level photoemission of pentacene (C22H14) free molecules are experimentally measured, and calculated by self-consistent-field and static-exchange approximation ab initio methods. Six nonequivalent C atoms present in the molecule contribute to the C 1s photoemission spectrum. The complex near-edge structures of the carbon K-edge absorption spectrum present two main groups of discrete transitions between 283 and 288 eV photon energy, due to absorption to pi* virtual orbitals, and broader structures at higher energy, involving sigma* virtual orbitals. The sharp absorption structures to the pi* empty orbitals lay well below the thresholds for the C 1s ionizations, caused by strong excitonic and localization effects. We can definitely explain the C K-edge absorption spectrum as due to both final (virtual) and initial (core) orbital effects, mainly involving excitations to the two lowest-unoccupied molecular orbitals of pi* symmetry, from the six chemically shifted C 1s core orbitals.

Core-shell photoabsorption and photoelectron spectra of gas-phase pentacene: Experiment and theory

NASA Astrophysics Data System (ADS)

Alagia, Michele; Baldacchini, Chiara; Betti, Maria Grazia; Bussolotti, Fabio; Carravetta, Vincenzo; Ekström, Ulf; Mariani, Carlo; Stranges, Stefano

2005-03-01

The C K-edge photoabsorption and 1s core-level photoemission of pentacene (C22H14) free molecules are experimentally measured, and calculated by self-consistent-field and static-exchange approximation ab initio methods. Six nonequivalent C atoms present in the molecule contribute to the C 1s photoemission spectrum. The complex near-edge structures of the carbon K-edge absorption spectrum present two main groups of discrete transitions between 283 and 288eV photon energy, due to absorption to π* virtual orbitals, and broader structures at higher energy, involving σ* virtual orbitals. The sharp absorption structures to the π* empty orbitals lay well below the thresholds for the C 1s ionizations, caused by strong excitonic and localization effects. We can definitely explain the C K-edge absorption spectrum as due to both final (virtual) and initial (core) orbital effects, mainly involving excitations to the two lowest-unoccupied molecular orbitals of π* symmetry, from the six chemically shifted C 1s core orbitals.

ECE-imaging of the H-mode pedestal (invited).

PubMed

Tobias, B J; Austin, M E; Boom, J E; Burrell, K H; Classen, I G J; Domier, C W; Luhmann, N C; Nazikian, R; Snyder, P B

2012-10-01

A synthetic diagnostic has been developed that reproduces the highly structured electron cyclotron emission (ECE) spectrum radiated from the edge region of H-mode discharges. The modeled dependence on local perturbations of the equilibrium plasma pressure allows for interpretation of ECE data for diagnosis of local quantities. Forward modeling of the diagnostic response in this region allows for improved mapping of the observed fluctuations to flux surfaces within the plasma, allowing for the poloidal mode number of coherent structures to be resolved. In addition, other spectral features that are dependent on both T(e) and n(e) contain information about pedestal structure and the electron energy distribution of localized phenomena, such as edge filaments arising during edge-localized mode (ELM) activity.

Coherent structures and flow topology of transitional separated-reattached flow over two and three dimensional geometrical shapes

NASA Astrophysics Data System (ADS)

Diabil, Hayder Azeez; Li, Xin Kai; Abdalla, Ibrahim Elrayah

2017-09-01

Large-scale organized motions (commonly referred to coherent structures) and flow topology of a transitional separated-reattached flow have been visualised and investigated using flow visualisation techniques. Two geometrical shapes including two-dimensional flat plate with rectangular leading edge and three-dimensional square cylinder are chosen to shed a light on the flow topology and present coherent structures of the flow over these shapes. For both geometries and in the early stage of the transition, two-dimensional Kelvin-Helmholtz rolls are formed downstream of the leading edge. They are observed to be twisting around the square cylinder while they stay flat in the case of the two-dimensional flat plate. For both geometrical shapes, the two-dimensional Kelvin-Helmholtz rolls move downstream of the leading edge and they are subjected to distortion to form three-dimensional hairpin structures. The flow topology in the flat plate is different from that in the square cylinder. For the flat plate, there is a merging process by a pairing of the Kelvin-Helmholtz rolls to form a large structure that breaks down directly into many hairpin structures. For the squire cylinder case, the Kelvin-Helmholtz roll evolves topologically to form a hairpin structure. In the squire cylinder case, the reattachment length is much shorter and a forming of the three-dimensional structures is closer to the leading edge than that in the flat plate case.

Confirming the Revised C-Terminal Domain of the MscL Crystal Structure

PubMed Central

Maurer, Joshua A.; Elmore, Donald E.; Clayton, Daniel; Xiong, Li; Lester, Henry A.; Dougherty, Dennis A.

2008-01-01

The structure of the C-terminal domain of the mechanosensitive channel of large conductance (MscL) has generated significant controversy. As a result, several structures have been proposed for this region: the original crystal structure (1MSL) of the Mycobacterium tuberculosis homolog (Tb), a model of the Escherichia coli homolog, and, most recently, a revised crystal structure of Tb-MscL (2OAR). To understand which of these structures represents a physiological conformation, we measured the impact of mutations to the C-terminal domain on the thermal stability of Tb-MscL using circular dichroism and performed molecular dynamics simulations of the original and the revised crystal structures of Tb-MscL. Our results imply that this region is helical and adopts an α-helical bundle conformation similar to that observed in the E. coli MscL model and the revised Tb-MscL crystal structure. PMID:18326638

Excision of uranium oxide chains and ribbons in the novel one-dimensional uranyl iodates K(2)[(UO(2))3(IO(3))(4)O(2)] and Ba[(UO(2)2(IO(3))(2)O(2)](H(2)O).

PubMed

Bean, A C; Ruf, M; Albrecht-Schmitt, T E

2001-07-30

The alkali metal and alkaline-earth metal uranyl iodates K(2)[(UO(2))(3)(IO(3))(4)O(2)] and Ba[(UO(2))(2)(IO(3))(2)O(2)](H(2)O) have been prepared from the hydrothermal reactions of KCl or BaCl(2) with UO(3) and I(2)O(5) at 425 and 180 degrees C, respectively. While K(2)[(UO(2))(3)(IO(3))(4)O(2)] can be synthesized under both mild and supercritical conditions, the yield increases from <5% to 73% as the temperature is raised from 180 to 425 degrees C. Ba[(UO(2))(2)(IO(3))(2)O(2)](H(2)O), however, has only been isolated from reactions performed in the mild temperature regime. Thermal measurements (DSC) indicate that K(2)[(UO(2))(3)(IO(3))(4)O(2)] is more stable than Ba[(UO(2))(2)(IO(3))(2)O(2)](H(2)O) and that both compounds decompose through thermal disproportionation at 579 and 575 degrees C, respectively. The difference in the thermal behavior of these compounds provides a basis for the divergence of their preparation temperatures. The structure of K(2)[(UO(2))(3)(IO(3))(4)O(2)] is composed of [(UO(2))(3)(IO(3))(4)O(2)](2)(-) chains built from the edge-sharing UO(7) pentagonal bipyramids and UO(6) octahedra. Ba[(UO(2))(2)(IO(3))(2)O(2)](H(2)O) consists of one-dimensional [(UO(2))(2)(IO(3))(2)O(2)](2)(-) ribbons formed from the edge sharing of distorted UO(7) pentagonal bipyramids. In both compounds the iodate groups occur in both bridging and monodentate binding modes and further serve to terminate the edges of the uranium oxide chains. The K(+) or Ba(2+) cations separate the chains or ribbons in these compounds forming bonds with terminal oxygen atoms from the iodate ligands. Crystallographic data: K(2)[(UO(2))(3)(IO(3))(4)O(2)], triclinic, space group P_1, a = 7.0372(5) A, b = 7.7727(5) A, c = 8.9851(6) A, alpha = 93.386(1) degrees, beta = 105.668(1) degrees, gamma = 91.339(1) degrees, Z = 1; Ba[(UO(2))(2)(IO(3))(2)O(2)](H(2)O), monoclinic, space group P2(1)/c, a = 8.062(4) A, b = 6.940(3) A, c = 21.67(1), beta= 98.05(1) degrees, Z = 4.

Inverted edge effects on carbon stocks in human-dominated landscapes

NASA Astrophysics Data System (ADS)

Romitelli, I.; Keller, M.; Vieira, S. A.; Metzger, J. P.; Reverberi Tambosi, L.

2017-12-01

Although the importance of tropical forests to regulate greenhouse gases is well documented, little is known about what factors affect the ability of these forests to store carbon in human-dominated landscapes. Among those factors, the landscape structure, particularly the amount of forest cover, the type of matrix and edge effects, can have important roles. We tested how carbon stock is influenced by a combination of factors of landscape composition (pasture and forest cover), landscape configuration (edge effect) and relief factors (slope, elevation and aspect). To test those relationships, we performed a robust carbon stock estimation with inventory and LiDAR data in human-dominated landscapes from the Brazilian Atlantic forest region. The study area showed carbon stock mean 45.49 ± 9.34 Mg ha-1. The interaction between forest cover, edge effect and slope was the best combination explanatory of carbon stock. We observed an inverted edge effect pattern where carbon stock is higher close to the edges of the studied secondary forests. This inverted edge effect observed contradicts the usual pattern reported in the literature for mature forests. We suppose this pattern is related with a positive effect that edge conditions can have stimulating forest regeneration, but the underlying processes to explain the observed pattern should still be tested. Those results suggest that Carbon stocks in human-dominated and fragmented landscapes can be highly affected by the landscape structure, and particularly that edges conditions can favor carbon sequestration in regenerating tropical forests.

Mechanical properties of graphene nanoribbons under uniaxial tensile strain

NASA Astrophysics Data System (ADS)

Yoneyama, Kazufumi; Yamanaka, Ayaka; Okada, Susumu

2018-03-01

Based on the density functional theory with the generalized gradient approximation, we investigated the mechanical properties of graphene nanoribbons in terms of their edge shape under a uniaxial tensile strain. The nanoribbons with armchair and zigzag edges retain their structure under a large tensile strain, while the nanoribbons with chiral edges are fragile against the tensile strain compared with those with armchair and zigzag edges. The fracture started at the cove region, which corresponds to the border between the zigzag and armchair edges for the nanoribbons with chiral edges. For the nanoribbons with armchair edges, the fracture started at one of the cove regions at the edges. In contrast, the fracture started at the inner region of the nanoribbons with zigzag edges. The bond elongation under the tensile strain depends on the mutual arrangement of covalent bonds with respect to the strain direction.

Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes.

PubMed

Hu, Wei; Lin, Lin; Yang, Chao; Yang, Jinlong

2014-12-07

With the help of the recently developed SIESTA-pole (Spanish Initiative for Electronic Simulations with Thousands of Atoms) - PEXSI (pole expansion and selected inversion) method [L. Lin, A. García, G. Huhs, and C. Yang, J. Phys.: Condens. Matter 26, 305503 (2014)], we perform Kohn-Sham density functional theory calculations to study the stability and electronic structure of hydrogen passivated hexagonal graphene nanoflakes (GNFs) with up to 11,700 atoms. We find the electronic properties of GNFs, including their cohesive energy, edge formation energy, highest occupied molecular orbital-lowest unoccupied molecular orbital energy gap, edge states, and aromaticity, depend sensitively on the type of edges (armchair graphene nanoflakes (ACGNFs) and zigzag graphene nanoflakes (ZZGNFs)), size and the number of electrons. We observe that, due to the edge-induced strain effect in ACGNFs, large-scale ACGNFs' edge formation energy decreases as their size increases. This trend does not hold for ZZGNFs due to the presence of many edge states in ZZGNFs. We find that the energy gaps E(g) of GNFs all decay with respect to 1/L, where L is the size of the GNF, in a linear fashion. But as their size increases, ZZGNFs exhibit more localized edge states. We believe the presence of these states makes their gap decrease more rapidly. In particular, when L is larger than 6.40 nm, we find that ZZGNFs exhibit metallic characteristics. Furthermore, we find that the aromatic structures of GNFs appear to depend only on whether the system has 4N or 4N + 2 electrons, where N is an integer.