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Sample records for probing structure property

  1. Probing electron transport and structural properties of nanostructures on Si with a quadraprobe scanning tunneling microscope

    SciTech Connect

    Kim, Tae Hwan; Wendelken, J F; Li, An-Ping

    2008-01-01

    The electron transport and structural properties of nanostructured materials have been examined with a newly developed low temperature quadraprobe scanning tunneling microscope (STM) system. The quadraprobe STM system, as a "nano" version of a four-probe station provides an integrated research platform with a low temperature four-probe STM, a molecular-beam epitaxy growth chamber, a high resolution scanning electron microscope, and a scanning Auger microscope. The four STM probes can be driven independently with sub-nanometer precision, enabling conventional STM imaging and four-point electrical transport study of surface electronic systems and nanostructured materials at temperatures down to 10 K. Self-assembled nanostructures grown on Si by doping with metal atoms (Au, Gd, Ag) have been fabricated and characterized in situ.

  2. Probing Structure Property Relationships in Complex Engineering Silicones by 1H NMR

    SciTech Connect

    Chinn, S C; Gjersing, E L; Maxwell, R S; Eastwood, E; Bowen, D; Stephens, T

    2006-07-14

    It is generally accepted that the properties of polymeric materials are controlled by the network structure and the reactions by which they have been constructed. These properties include the bulk moduli at creation, but also the properties as a function of age during use. In order to interpret mechanical properties and predict the time dependent changes in these properties, detailed knowledge of the effect of structural changes must be obtained. The degree and type of crosslinking, the molecular weight between crosslinks, the number of elastically ineffective chains (loops, dangling chain ends, sol-fraction) must be characterized. A number of theoretical and experimental efforts have been reported in the last few years on model networks prepared by endlinking reactions and the relationships of those structures with the ultimate mechanical properties. A range of experimental methods have been used to investigate structure including rheometric, scattering, infrared, {sup 29}Si MAS and CPMAS, {sup 1}H relaxation measurements, and recently {sup 1}H multiple quantum methods. Characterization of the growth of multiple quantum coherences have recently been shown to provide detailed insight into silicone network structure by the ability to selective probe the individual components of the polymer network, such as the polymer-filler interface or network chains. We have employed recently developed MQ methods to investigate the structure-property relationships in a series of complex, endlinked filled-PDMS blends. Here, a systematic study of the relationship between the molecular formulation, as dictated by the amount and type of crosslinks present and by the remaining network chains, and the segmental dynamics as observed by MQ NMR was performed.

  3. A novel approach to study the structure-property relationships and applications in living systems of modular Cu2+ fluorescent probes

    NASA Astrophysics Data System (ADS)

    She, Mengyao; Yang, Zheng; Hao, Likai; Wang, Zhaohui; Luo, Tianyou; Obst, Martin; Liu, Ping; Shen, Yehua; Zhang, Shengyong; Li, Jianli

    2016-08-01

    A series of Cu2+ probe which contains 9 probes have been synthesized and established. All the probes were synthesized using Rhodamine B as the fluorophore, conjugated to various differently substituted cinnamyl aldehyde with C=N Schiff base structural motif as their core moiety. The structure-property relationships of these probes have been investigated. The change of optical properties, caused by different electronic effect and steric effect of the recognition group, has been analyzed systematically. DFT calculation simulation of the Ring-Close and Ring-Open form of all the probes have been employed to illuminate, summarize and confirm these correlations between optical properties and molecular structures. In addition, biological experiment demonstrated that all the probes have a high potential for both sensitive and selective detection, mapping of adsorbed Cu2+ both in vivo and environmental microbial systems. This approach provides a significant strategy for studying structure-property relationships and guiding the synthesis of probes with various optical properties.

  4. Probing structure-property relationships in perpendicularly magnetized Fe/Cu(001) using MXLD and XPD

    SciTech Connect

    Cummins, T.R.; Waddill, G.D.; Goodman, K.W.

    1997-04-01

    Magnetic X-ray Linear Dichroism (MXLD) in Photoelectron Spectroscopy and X-Ray Photoelectron Diffraction (XPD) of the Fe 3p core level have been used to probe the magnetic structure-property relationships of perpendicularly magnetized Fe/Cu(001), in an element-specific fashion. A strong MEXLD effect was observed in the high resolution photoelectron spectroscopy of the Fe 3p at {open_quotes}normal{close_quotes} emission and was used to follow the loss of perpendicular ferromagnetic ordering as the temperature was raised toward room temperature. In parallel with this, {open_quotes}Forward Focussing{close_quotes} in XPD was used as a direct measure of geometric structure in the overlayer. These results and the implications of their correlation will be discussed. Additionally, an investigation of the effect of Mn doping of the Fe/Cu(001) will be described. These measurements were performed at the Spectromicroscopy Facility (Beamline 7.0.1) of the Advanced Light Source.

  5. Structure, cell wall elasticity and polysaccharide properties of living yeast cells, as probed by AFM

    NASA Astrophysics Data System (ADS)

    Alsteens, David; Dupres, Vincent; McEvoy, Kevin; Wildling, Linda; Gruber, Hermann J.; Dufrêne, Yves F.

    2008-09-01

    Although the chemical composition of yeast cell walls is known, the organization, assembly, and interactions of the various macromolecules remain poorly understood. Here, we used in situ atomic force microscopy (AFM) in three different modes to probe the ultrastructure, cell wall elasticity and polymer properties of two brewing yeast strains, i.e. Saccharomyces carlsbergensis and S. cerevisiae. Topographic images of the two strains revealed smooth and homogeneous cell surfaces, and the presence of circular bud scars on dividing cells. Nanomechanical measurements demonstrated that the cell wall elasticity of S. carlsbergensis is homogeneous. By contrast, the bud scar of S. cerevisiae was found to be stiffer than the cell wall, presumably due to the accumulation of chitin. Notably, single molecule force spectroscopy with lectin-modified tips revealed major differences in polysaccharide properties of the two strains. Polysaccharides were clearly more extended on S. cerevisiae, suggesting that not only oligosaccharides, but also polypeptide chains of the mannoproteins were stretched. Consistent with earlier cell surface analyses, these findings may explain the very different aggregation properties of the two organisms. This study demonstrates the power of using multiple complementary AFM modalities for probing the organization and interactions of the various macromolecules of microbial cell walls.

  6. Properties of Broezel static probe

    NASA Astrophysics Data System (ADS)

    Gašparovič, Peter; Semrád, Karol; Cúttová, Miroslava

    2016-03-01

    The properties of flat static probe designed by Broezel and used in sailplanes are investigated for its planned use in low speed tunnel. Both the numerical CFD model and experiment in low speed wind tunnel confirm yaw insensitivity of the static pressure measured by the probe. The results indicate that the probe is sufficiently accurate for its planned use in wind tunnel measurements.

  7. Probing the Glass Transition from Structural and Vibrational Properties of Zero-Temperature Glasses

    NASA Astrophysics Data System (ADS)

    Wang, Lijin; Xu, Ning

    2014-02-01

    We find that the density dependence of the glass transition temperature of Lennard-Jones (LJ) and Weeks-Chandler-Andersen (WCA) systems can be predicted from properties of the zero-temperature (T=0) glasses. Below a crossover density ρs, LJ and WCA glasses show different structures, leading to different vibrational properties and consequently making LJ glasses more stable with higher glass transition temperatures than WCA ones. Above ρs, structural and vibrational quantities of the T =0 glasses show scaling collapse. From scaling relations and dimensional analysis, we predict a density scaling of the glass transition temperature, in excellent agreement with simulation results. We also propose an empirical expression of the glass transition temperature using structural and vibrational properties of the T=0 glasses, which works well over a wide range of densities.

  8. Local probing of structure and property in dimensionally confined amorphous and crystalline structures by S/TEM

    NASA Astrophysics Data System (ADS)

    Yan, Aiming

    The characterization of materials' microstructure has been brought up to a new level since the invention and broad application of transmission electron microscope (TEM) thanks to the high-energy electron beam source which guarantees an unsurpassable spatial resolution and theoretical study of interaction between electron and matter. The advent of nano-world has imposed an urgent request to characterize nano-assemblies in nano- or even sub-nano-scale and scanning transmission electron microscopy (STEM) which typically utilizes an electron probe with a size of 1nm or even smaller has found its unique advantage to unravel the local structure, chemical and physical properties of these emerging nanostructures. Dimensionally constrained nanostructures such as thin films and nanopatterned systems have attracted people's attention for decades due to their novel chemical and physical properties and popularity in energy storage, biological integration and etc. This dissertation focuses on the unique characterization capability of S/TEM to study the local order in amorphous transparent conducting oxide thin films, disordering in 2-D layered materials, localized surface plasmons in nanoporous gold patterns on 2-D layered structures and crystallization process in dimensionally and spatially constrained oxide nanopatterns observed by in-situ TEM. Electron diffraction and x-ray diffraction are commonly used techniques to study the crystallinity in a certain material - crystalline or amorphous. In amorphous materials which lack long-range order, normal electron diffraction and x-ray diffraction techniques won't be able to extract any useful information regarding the ordering or disordering in the materials. We have developed a unique set of electron diffraction methods in both TEM and STEM, combined with density functional theory molecular dynamics of liquid quench to study the short-range (< 1 nm) and medium-range order (between 1 nm and 3 nm) in amorphous transparent oxide films

  9. A theoretical probe of high-valence uranium and transuranium silylamides: Structural and redox properties

    NASA Astrophysics Data System (ADS)

    Zhong, Yu-Xi; Guo, Yuan-Ru; Pan, Qing-Jiang

    2016-02-01

    Relativistic density functional theory was used to explore the structural and redox properties of 18 prototypical actinyl silylamides including a variation of metals (U, Np and Pu), metal oxidation states (VI and V) and equatorial ligands. A theoretical approach associated with implicit solvation and spin-orbit/multiplet corrections was proved to be reliable. A marked shift of reduction potentials of actinyl silylamides caused by changes of equatorial coordination ligands and implicit solvation was elucidated by analyses of electronic structures and single-electron reduction mechanism.

  10. Probing depth dependent structure and magnetic properties of thin films using polarized neutron reflectivity

    SciTech Connect

    Singh, Surendra; Basu, Saibal

    2015-06-24

    Novel properties of materials produced using nanoscale manufacturing processes often arise from interactions across interfaces between dissimilar materials. In order to understand the physical and magnetic properties of such nanostructures, a thorough and detailed structural and magnetic characterization with interface specificity is required. X-ray reflectivity and polarized neutron reflectivity (PNR) are two nondestructive techniques that provide quantitative measures of the chemical and magnetic depth profiles of the films with less than nanometer resolution averaged over the lateral dimensions of the entire sample (typically 100 mm{sup 2}). PNR specifically gives simultaneous structure and magnetic information of the interfaces. Unquestionably, neutron reflectivity has played a decisive role in the development and study of new emergent phenomena at interfaces.

  11. A novel approach to study the structure-property relationships and applications in living systems of modular Cu(2+) fluorescent probes.

    PubMed

    She, Mengyao; Yang, Zheng; Hao, Likai; Wang, Zhaohui; Luo, Tianyou; Obst, Martin; Liu, Ping; Shen, Yehua; Zhang, Shengyong; Li, Jianli

    2016-01-01

    A series of Cu(2+) probe which contains 9 probes have been synthesized and established. All the probes were synthesized using Rhodamine B as the fluorophore, conjugated to various differently substituted cinnamyl aldehyde with C=N Schiff base structural motif as their core moiety. The structure-property relationships of these probes have been investigated. The change of optical properties, caused by different electronic effect and steric effect of the recognition group, has been analyzed systematically. DFT calculation simulation of the Ring-Close and Ring-Open form of all the probes have been employed to illuminate, summarize and confirm these correlations between optical properties and molecular structures. In addition, biological experiment demonstrated that all the probes have a high potential for both sensitive and selective detection, mapping of adsorbed Cu(2+) both in vivo and environmental microbial systems. This approach provides a significant strategy for studying structure-property relationships and guiding the synthesis of probes with various optical properties. PMID:27485974

  12. A novel approach to study the structure-property relationships and applications in living systems of modular Cu2+ fluorescent probes

    PubMed Central

    She, Mengyao; Yang, Zheng; Hao, Likai; Wang, Zhaohui; Luo, Tianyou; Obst, Martin; Liu, Ping; Shen, Yehua; Zhang, Shengyong; Li, Jianli

    2016-01-01

    A series of Cu2+ probe which contains 9 probes have been synthesized and established. All the probes were synthesized using Rhodamine B as the fluorophore, conjugated to various differently substituted cinnamyl aldehyde with C=N Schiff base structural motif as their core moiety. The structure-property relationships of these probes have been investigated. The change of optical properties, caused by different electronic effect and steric effect of the recognition group, has been analyzed systematically. DFT calculation simulation of the Ring-Close and Ring-Open form of all the probes have been employed to illuminate, summarize and confirm these correlations between optical properties and molecular structures. In addition, biological experiment demonstrated that all the probes have a high potential for both sensitive and selective detection, mapping of adsorbed Cu2+ both in vivo and environmental microbial systems. This approach provides a significant strategy for studying structure-property relationships and guiding the synthesis of probes with various optical properties. PMID:27485974

  13. Probing of field-induced structures and tunable rheological properties of surfactant capped magnetically polarizable nanofluids.

    PubMed

    Felicia, Leona J; Philip, John

    2013-01-01

    Oil-based nanofluid containing surfactant-capped magnetite nanoparticles are synthesized by a simple coprecipitation approach, and their magnetorheological properties are studied for different magnetic field strengths and volume fractions. We observe a distinct "plateau-like region" in the shear thinning viscosity curve, under an external magnetic field, possibly due to a peculiar alignment of the chains with respect to the field direction where the structure is stable against fragmentation. The observed plateau regime is reminiscent to that of kinetically arrested gel networks. Interestingly, such a plateau regime has been observed only above certain critical magnetic field when the dipolar interaction strength is much greater than the thermal energy where the aggregation becomes a nonequilibrium transport-limited process. The good collapse of specific viscosity data against Mason number for different magnetic field strengths onto a single curve suggests the dominance of hydrodynamic and magnetic forces on thermal force above a certain magnetic field strength. The observed increase in both static and dynamic yield stresses under the magnetic field confirms the formation of columnar structures that hinder the flow behavior. The hysteresis observed in the magnetic sweep experiments shows the inability of the chains to relax within the measurement time. The dynamic measurements confirm that the field-induced structures impart elastic behavior to the dispersion, which is found to increase with magnetic field and saturates at higher field strengths. PMID:23210900

  14. Structural properties of GaNAs nanowires probed by micro-Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Filippov, S.; Ishikawa, F.; Chen, W. M.; Buyanova, I. A.

    2016-02-01

    GaNAs-based nanowires (NWs) form a novel material system of potential importance for applications in advanced optoelectronic and photonic devices, thanks to the advantages provided by band-structure engineering, one-dimensional architecture and the possibility to combine them with mainstream silicon technology. In this work we utilize the micro-Raman scattering technique to systematically study the structural properties of such GaAs/GaNAs core/shell NW structures grown by molecular beam epitaxy on a Si substrate. It is shown that the employed one-dimensional architecture allows the fabrication of a GaNAs shell with a low degree of alloy disorder and weak residual strain, at least within the studied range of nitrogen (N) compositions [N] < 0.6%. Raman scattering by the GaAs-like and GaN-like phonons is found to be enhanced when the excitation energy approaches the E+ transition energy. Since this effect is found to be more pronounced for the GaN-like phonons, the involved intermediate states are concluded to be localized in proximity to N impurities, i.e. they likely represent N-related cluster states located in proximity to E+.

  15. Probing the structure, stability and hydrogen storage properties of calcium dodecahydro- closo-dodecaborate

    NASA Astrophysics Data System (ADS)

    Stavila, Vitalie; Her, Jae-Hyuk; Zhou, Wei; Hwang, Son-Jong; Kim, Chul; Ottley, Leigh Anna M.; Udovic, Terrence J.

    2010-05-01

    Calcium borohydride can reversibly store up to 9.6 wt% hydrogen; however, the material displays poor cyclability, generally associated with the formation of stable intermediate species. In an effort to understand the role of such intermediates on the hydrogen storage properties of Ca(BH 4) 2, calcium dodecahydro- closo-dodecaborate was isolated and characterized by diffraction and spectroscopic techniques. The crystal structure of CaB 12H 12 was determined from powder XRD data and confirmed by DFT and neutron vibrational spectroscopy studies. Attempts to dehydrogenate/hydrogenate mixtures of CaB 12H 12 and CaH 2 were made under conditions known to favor partial reversibility in calcium borohydride. However, up to 670 K no notable formation of Ca(BH 4) 2 (during hydrogenation) or CaB 6 (during dehydrogenation) occurred. It was demonstrated that the stability of CaB 12H 12 can be significantly altered using CaH 2 as a destabilizing agent to favor the hydrogen release.

  16. CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES: Capillary Interactions between a Probe Tip and a Nanoparticle

    NASA Astrophysics Data System (ADS)

    Sun, Li-Ning; Wang, Le-Feng; Rong, Wei-Bin

    2008-05-01

    To understand capillary interactions between probe tips and nanoparticles under ambient conditions, a theoretical model of capillary forces between them is developed based on the geometric relations. It is found that the contribution of surface tension force to the total capillary force attains to similar order of magnitude as the capillary pressure force in many cases. It is also shown that the tip shape and the radial distance of the meniscus have great influence on the capillary force. The capillary force decreases with the increasing separation distances, and the variance of the contact angles may change the magnitudes of capillary forces several times at large radial distances. The applicability of the symmetric meniscus approximation is discussed.

  17. Wave tilt sounding of multilayered structures. [for probing of stratified planetary surface electrical properties and thickness

    NASA Technical Reports Server (NTRS)

    Warne, L.; Jaggard, D. L.; Elachi, C.

    1979-01-01

    The relationship between the wave tilt and the electrical parameters of a multilayered structure is investigated. Particular emphasis is placed on the inverse problem associated with the sounding planetary surfaces. An inversion technique, based on multifrequency wave tilt, is proposed and demonstrated with several computer models. It is determined that there is close agreement between the electrical parameters used in the models and those in the inversion values.

  18. Probing the structural and magnetic properties of transition metal-benzene anion complexes.

    PubMed

    Li, Hui-Fang; Kuang, Xiao-Yu; Wang, Huai-Qian

    2011-05-01

    Two types of transition metal-benzene anion complexes, (titanium)(n)(benzene)(m)⁻ and (cobalt)(n)(benzene)(m)⁻ (n ≤ 2, m ≤ 3) have been determined using density functional theory. The photoelectron spectra of Ti(n)Bz(m)⁻ and Co(n)Bz(m)⁻ (n ≤ 2, m ≤ 3) were discussed from the perspective of quantum chemical calculations of the vertical detachment energies (VDEs) of several low-energy isomers obtained by the structural optimization procedure. The binding of Ti and Co atoms to benzene molecules is accounted by 3d-π bonds, as revealed by the molecular orbitals. The topology of the electronic density has been analyzed, suggesting that the C-C bonds were weakened in the transition metal-benzene complexes in comparison to those in free benzene. Spin density distribution results show the spin densities for Ti(n)Bz(m)⁻ and Co(n)Bz(m)⁻ (n ≤ 2, m ≤ 3) reside mainly on the metal Ti and Co centers (70%-90%). A shift to lower magnetic moment with respect to the pure titanium/cobalt cluster anions indicates the solvent benzene molecule acts to demagnetize the bare titanium/cobalt cluster anions. PMID:21437303

  19. Fluorescent probes for G-quadruplex structures.

    PubMed

    Vummidi, Balayeshwanth R; Alzeer, Jawad; Luedtke, Nathan W

    2013-03-18

    Mounting evidence supports the presence of biologically relevant G-quadruplexes in single-cell organisms, but the existence of endogenous G-quadruplex structures in mammalian cells remains highly controversial. This is due, in part, to the common misconception that DNA and RNA molecules are passive information carriers with relatively little structural or functional complexity. For those working in the field, however, the lack of available tools for characterizing DNA structures in vivo remains a major limitation to addressing fundamental questions about structure-function relationships of nucleic acids. In this review, we present progress towards the direct detection of G-quadruplex structures by using small molecules and modified oligonucleotides as fluorescent probes. While most development has focused on cell-permeable probes that selectively bind to G-quadruplex structures with high affinity, these same probes can induce G-quadruplex folding, thereby making the native conformation of the DNA or RNA molecule (i.e., in the absence of probe) uncertain. For this reason, modified oligonucleotides and fluorescent base analogues that serve as "internal" fluorescent probes are presented as an orthogonal means for detecting conformational changes, without necessarily perturbing the equilibria between G-quadruplex, single-stranded, and duplex DNA. The major challenges and motivation for the development of fluorescent probes for G-quadruplex structures are presented, along with a summary of the key photophysical, biophysical, and biological properties of reported examples. PMID:23440895

  20. Probing Electronic, Structural, and Charge Transfer Properties of Organic Semiconductor/Inorganic Oxide Interfaces Using Field-Effect Transistors

    NASA Astrophysics Data System (ADS)

    Spalenka, Josef Wade

    Interfaces between organic semiconductors and inorganic oxides provide the functionality for devices including field-effect transistors (FETs) and organic photovoltaics. Organic FETs are sensitive to the physical structure and electronic properties of the few molecular layers of material at the interface between the semiconducting channel and the gate dielectric, and provide quantitative information such as the field-effect mobility of charge carriers and the concentration of trapped charge. In this thesis, FET interfaces between organic small-molecule semiconductors and SiO2, and donor/acceptor interfaces between organic small-molecules and the wide bandgap semiconductor ZnO are studied using electrical measurements of field-effect transistor devices. Monolayer-scale films of dihexyl sexithiophene are shown to have higher hole mobility than other monolayer organic semiconductors, and the origin of the high mobility is discussed. Studies of the crystal structure of the monolayer using X-ray structural probes and atomic force microscopy reveal the crystal structure is different in the monolayer regime compared to thicker films and bulk crystals. Progress and remaining challenges are discussed for in situ X-ray diffraction studies of the dynamic changes in the local crystal structure in organic monolayers due to charge carriers generated during the application of electric fields from the gate electrode in working FETs. Studies were conducted of light sensitive organic/inorganic interfaces that are modified with organic molecules grafted to the surface of ZnO nanoparticles and thin films. These interfaces are models for donor/acceptor interfaces in photovoltaics. The process of exciton dissociation at the donor/acceptor interface was sensitive to the insulating or semiconducting molecules grafted to the ZnO, and the photoinduced charge transfer process is measured by the threshold voltage shift of FETs during illumination. Charge transfer between light sensitive donor

  1. Influence of the Electronic Structure and Optical Properties of CeO2 and UO2 for Characterization with UV-Laser Assisted Atom Probe Tomography

    SciTech Connect

    Billy Valderrama; H.B. Henderson; C. Yablinsky; J. Gan; T.R. Allen; M.V. Manuel

    2015-09-01

    Oxide materials are used in numerous applications such as thermal barrier coatings, nuclear fuels, and electrical conductors and sensors, all applications where nanometer-scale stoichiometric changes can affect functional properties. Atom probe tomography can be used to characterize the precise chemical distribution of individual species and spatially quantify the oxygen to metal ratio at the nanometer scale. However, atom probe analysis of oxides can be accompanied by measurement artifacts caused by laser-material interactions. In this investigation, two technologically relevant oxide materials with the same crystal structure and an anion to cation ratio of 2.00, pure cerium oxide (CeO2) and uranium oxide (UO2) are studied. It was determined that electronic structure, optical properties, heat transfer properties, and oxide stability strongly affect their evaporation behavior, thus altering their measured stoichiometry, with thermal conductance and thermodynamic stability being strong factors.

  2. Probing Carrier Transport and Structure-Property Relationship of Highly Ordered Organic Semiconductors at the Two-Dimensional Limit.

    PubMed

    Zhang, Yuhan; Qiao, Jingsi; Gao, Si; Hu, Fengrui; He, Daowei; Wu, Bing; Yang, Ziyi; Xu, Bingchen; Li, Yun; Shi, Yi; Ji, Wei; Wang, Peng; Wang, Xiaoyong; Xiao, Min; Xu, Hangxun; Xu, Jian-Bin; Wang, Xinran

    2016-01-01

    One of the basic assumptions in organic field-effect transistors, the most fundamental device unit in organic electronics, is that charge transport occurs two dimensionally in the first few molecular layers near the dielectric interface. Although the mobility of bulk organic semiconductors has increased dramatically, direct probing of intrinsic charge transport in the two-dimensional limit has not been possible due to excessive disorders and traps in ultrathin organic thin films. Here, highly ordered single-crystalline mono- to tetralayer pentacene crystals are realized by van der Waals (vdW) epitaxy on hexagonal BN. We find that the charge transport is dominated by hopping in the first conductive layer, but transforms to bandlike in subsequent layers. Such an abrupt phase transition is attributed to strong modulation of the molecular packing by interfacial vdW interactions, as corroborated by quantitative structural characterization and density functional theory calculations. The structural modulation becomes negligible beyond the second conductive layer, leading to a mobility saturation thickness of only ∼3  nm. Highly ordered organic ultrathin films provide a platform for new physics and device structures (such as heterostructures and quantum wells) that are not possible in conventional bulk crystals. PMID:26799035

  3. Probing Carrier Transport and Structure-Property Relationship of Highly Ordered Organic Semiconductors at the Two-Dimensional Limit

    NASA Astrophysics Data System (ADS)

    Zhang, Yuhan; Qiao, Jingsi; Gao, Si; Hu, Fengrui; He, Daowei; Wu, Bing; Yang, Ziyi; Xu, Bingchen; Li, Yun; Shi, Yi; Ji, Wei; Wang, Peng; Wang, Xiaoyong; Xiao, Min; Xu, Hangxun; Xu, Jian-Bin; Wang, Xinran

    2016-01-01

    One of the basic assumptions in organic field-effect transistors, the most fundamental device unit in organic electronics, is that charge transport occurs two dimensionally in the first few molecular layers near the dielectric interface. Although the mobility of bulk organic semiconductors has increased dramatically, direct probing of intrinsic charge transport in the two-dimensional limit has not been possible due to excessive disorders and traps in ultrathin organic thin films. Here, highly ordered single-crystalline mono- to tetralayer pentacene crystals are realized by van der Waals (vdW) epitaxy on hexagonal BN. We find that the charge transport is dominated by hopping in the first conductive layer, but transforms to bandlike in subsequent layers. Such an abrupt phase transition is attributed to strong modulation of the molecular packing by interfacial vdW interactions, as corroborated by quantitative structural characterization and density functional theory calculations. The structural modulation becomes negligible beyond the second conductive layer, leading to a mobility saturation thickness of only ˜3 nm . Highly ordered organic ultrathin films provide a platform for new physics and device structures (such as heterostructures and quantum wells) that are not possible in conventional bulk crystals.

  4. The use of ultrasound to probe structural and material properties of bone: State-of-the art

    NASA Astrophysics Data System (ADS)

    Laugier, Pascal

    2004-10-01

    The knowledge of the elastic properties of bone can be used to investigate the effects of aging, disease, and treatments. Elastic properties are also required as input for both computational and analytic models. An alternative approach to direct bone mechanical testing is to use ultrasonic testing. Furthermore, ultrasound is appropriate for multiscale analysis. In vitro, ultrasound has been widely used to derive nondestructively the stiffness coefficients or the elastic moduli at the whole specimen level at low frequency (structural elasticity) or at the tissue level at higher frequency (material stiffness). Quantitative ultrasound (QUS) techniques have also been developed for in vivo skeletal status assessment based on the assumption that ultrasonic properties reflect skeletal factors of bone fragility. In vivo QUS is then used to predict fracture risk. Several different techniques are currently available or under development involving different type of waves (bulk compressional waves, surface waves, guided modes). Measured ultrasonic properties in transmission or in reflection depend on a variety of material properties and macro- or micro structural characteristics. However, the complexity of the interaction mechanisms between the incident ultrasonic field and bone is still not fully elucidated and requires a better understanding.

  5. Probing the structural and dynamical properties of liquid water with models including non-local electron correlation

    NASA Astrophysics Data System (ADS)

    Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

    2015-08-01

    Water is a ubiquitous liquid that displays a wide range of anomalous properties and has a delicate structure that challenges experiment and simulation alike. The various intermolecular interactions that play an important role, such as repulsion, polarization, hydrogen bonding, and van der Waals interactions, are often difficult to reproduce faithfully in atomistic models. Here, electronic structure theories including all these interactions at equal footing, which requires the inclusion of non-local electron correlation, are used to describe structure and dynamics of bulk liquid water. Isobaric-isothermal (NpT) ensemble simulations based on the Random Phase Approximation (RPA) yield excellent density (0.994 g/ml) and fair radial distribution functions, while various other density functional approximations produce scattered results (0.8-1.2 g/ml). Molecular dynamics simulation in the microcanonical (NVE) ensemble based on Møller-Plesset perturbation theory (MP2) yields dynamical properties in the condensed phase, namely, the infrared spectrum and diffusion constant. At the MP2 and RPA levels of theory, ice is correctly predicted to float on water, resolving one of the anomalies as resulting from a delicate balance between van der Waals and hydrogen bonding interactions. For several properties, obtaining quantitative agreement with experiment requires correction for nuclear quantum effects (NQEs), highlighting their importance, for structure, dynamics, and electronic properties. A computed NQE shift of 0.6 eV for the band gap and absorption spectrum illustrates the latter. Giving access to both structure and dynamics of condensed phase systems, non-local electron correlation will increasingly be used to study systems where weak interactions are of paramount importance.

  6. Probing the structural and dynamical properties of liquid water with models including non-local electron correlation.

    PubMed

    Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

    2015-08-01

    Water is a ubiquitous liquid that displays a wide range of anomalous properties and has a delicate structure that challenges experiment and simulation alike. The various intermolecular interactions that play an important role, such as repulsion, polarization, hydrogen bonding, and van der Waals interactions, are often difficult to reproduce faithfully in atomistic models. Here, electronic structure theories including all these interactions at equal footing, which requires the inclusion of non-local electron correlation, are used to describe structure and dynamics of bulk liquid water. Isobaric-isothermal (NpT) ensemble simulations based on the Random Phase Approximation (RPA) yield excellent density (0.994 g/ml) and fair radial distribution functions, while various other density functional approximations produce scattered results (0.8-1.2 g/ml). Molecular dynamics simulation in the microcanonical (NVE) ensemble based on Møller-Plesset perturbation theory (MP2) yields dynamical properties in the condensed phase, namely, the infrared spectrum and diffusion constant. At the MP2 and RPA levels of theory, ice is correctly predicted to float on water, resolving one of the anomalies as resulting from a delicate balance between van der Waals and hydrogen bonding interactions. For several properties, obtaining quantitative agreement with experiment requires correction for nuclear quantum effects (NQEs), highlighting their importance, for structure, dynamics, and electronic properties. A computed NQE shift of 0.6 eV for the band gap and absorption spectrum illustrates the latter. Giving access to both structure and dynamics of condensed phase systems, non-local electron correlation will increasingly be used to study systems where weak interactions are of paramount importance. PMID:26254660

  7. Probing the structural and dynamical properties of liquid water with models including non-local electron correlation

    SciTech Connect

    Del Ben, Mauro Hutter, Jürg; VandeVondele, Joost

    2015-08-07

    Water is a ubiquitous liquid that displays a wide range of anomalous properties and has a delicate structure that challenges experiment and simulation alike. The various intermolecular interactions that play an important role, such as repulsion, polarization, hydrogen bonding, and van der Waals interactions, are often difficult to reproduce faithfully in atomistic models. Here, electronic structure theories including all these interactions at equal footing, which requires the inclusion of non-local electron correlation, are used to describe structure and dynamics of bulk liquid water. Isobaric-isothermal (NpT) ensemble simulations based on the Random Phase Approximation (RPA) yield excellent density (0.994 g/ml) and fair radial distribution functions, while various other density functional approximations produce scattered results (0.8-1.2 g/ml). Molecular dynamics simulation in the microcanonical (NVE) ensemble based on Møller-Plesset perturbation theory (MP2) yields dynamical properties in the condensed phase, namely, the infrared spectrum and diffusion constant. At the MP2 and RPA levels of theory, ice is correctly predicted to float on water, resolving one of the anomalies as resulting from a delicate balance between van der Waals and hydrogen bonding interactions. For several properties, obtaining quantitative agreement with experiment requires correction for nuclear quantum effects (NQEs), highlighting their importance, for structure, dynamics, and electronic properties. A computed NQE shift of 0.6 eV for the band gap and absorption spectrum illustrates the latter. Giving access to both structure and dynamics of condensed phase systems, non-local electron correlation will increasingly be used to study systems where weak interactions are of paramount importance.

  8. FDR probe structure influence on the soil dielectric spectrum measurement

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The soil dielectric spectrum are related to the soil physical properties, and those are affected by the structure of the probe too. In order to determine how the probe structure influence the soil dielectric spectrum measurement, the two kinds of soils were measured at four water content level by 10...

  9. Probing the effect of intrinsic defects and dopants on the structural evolution and optical properties of ZnO nanocrystallites

    SciTech Connect

    Panda, N. R.; Sahu, D.; Acharya, B. S.; Nayak, P.

    2015-06-24

    Role of intrinsic defects and external impurities in modifying the structural and optical properties of ZnO nanostructures has been studied and discussed. ZnO nanocrystallites doped with B, N and S elements have been prepared by ultrasound assisted wet chemical method. Structural evolution of ZnO in presence of dopant ions has been studied by XRD and electron microscopic measurements. Elemental analysis like XPS has been carried out to ascertain the dopant configuration. A variation in crystallographic parameters and microstructure is found to be observed as impurity is incorporated into ZnO. This has been explained on the basis of the substitution of dopant at Zn{sup 2+} and O{sup −} sites rearranging the lattice. Optical absorption measurements and PL studies reflect a change in band gap of ZnO by impurity adsorption. Most of the cases, the band gap is found to be broadened which has been explained in the line of Moss-Burstein effect. The excitonic emission in ZnO is observed to blue shift supporting the above results and the defect emissions also get modified in terms of position and intensity. New PL bands observed have been assigned to the transitions related to the defect states present in the band gap of ZnO along with intrinsic defects.

  10. Probing the structural dependency of photoinduced properties of colloidal quantum dots using metal-oxide photo-active substrates

    SciTech Connect

    Patty, Kira; Campbell, Quinn; Hamilton, Nathan; West, Robert G.; Sadeghi, Seyed M.; Mao, Chuanbin

    2014-09-21

    We used photoactive substrates consisting of about 1 nm coating of a metal oxide on glass substrates to investigate the impact of the structures of colloidal quantum dots on their photophysical and photochemical properties. We showed during irradiation these substrates can interact uniquely with such quantum dots, inducing distinct forms of photo-induced processes when they have different cores, shells, or ligands. In particular, our results showed that for certain types of core-shell quantum dot structures an ultrathin layer of a metal oxide can reduce suppression of quantum efficiency of the quantum dots happening when they undergo extensive photo-oxidation. This suggests the possibility of shrinking the sizes of quantum dots without significant enhancement of their non-radiative decay rates. We show that such quantum dots are not influenced significantly by Coulomb blockade or photoionization, while those without a shell can undergo a large amount of photo-induced fluorescence enhancement via such blockade when they are in touch with the metal oxide.

  11. Probing the Crystal Structure, Composition-Dependent Absolute Energy Levels, and Electrocatalytic Properties of Silver Indium Sulfide Nanostructures.

    PubMed

    Saji, Pintu; Ganguli, Ashok K; Bhat, Mohsin A; Ingole, Pravin P

    2016-04-18

    The absolute electronic energy levels in silver indium sulfide (AIS) nanocrystals (NCs) with varying compositions and crystallographic phases have been determined by using cyclic voltammetry. Different crystallographic phases, that is, metastable cubic, orthorhombic, monoclinic, and a mixture of cubic and orthorhombic AIS NCs, were studied. The band gap values estimated from the cyclic voltammetry measurements match well with the band gap values calculated from the diffuse reflectance spectra measurements. The AIS nanostructures were found to show good electrocatalytic activity towards the hydrogen evolution reaction (HER). Our results clearly establish that the electronic and electrocatalytic properties of AIS NCs are strongly sensitive to the composition and crystal structure of AIS NCs. Monoclinic AIS was found to be the most active HER electrocatalyst, with electrocatalytic activity that is almost comparable to the MoS2 -based nanostructures reported in the literature, whereas cubic AIS was observed to be the least active of the studied crystallographic phases and compositions. In view of the HER activity and electronic band structure parameters observed herein, we hypothesize that the Fermi energy level of AIS NCs is an important factor that decides the electrocatalytic efficiency of these nanocomposites. The work presented herein, in addition to being the first of its kind regarding the composition and phase-dependence of electrochemical aspects of AIS NCs, also presents a simple solvothermal method for the synthesis of different crystallographic phases with various Ag/In molar ratios. PMID:26812447

  12. Outer planet probe engineering model structural tests

    NASA Technical Reports Server (NTRS)

    Smittkamp, J. A.; Gustin, W. H.; Griffin, M. W.

    1977-01-01

    A series of proof of concept structural tests was performed on an engineering model of the Outer Planets Atmospheric Entry Probe. The tests consisted of pyrotechnic shock, dynamic and static loadings. The tests partially verified the structural concept.

  13. Probing small non-coding RNAs structures.

    PubMed

    Philippe, Jean-Vincent; Ayadi, Lilia; Branlant, Christiane; Behm-Ansmant, Isabelle

    2015-01-01

    The diverse roles of RNAs depend on their ability to fold so as to form biologically functional structures. Thus, understanding the function of a given RNA molecule often requires experimental analysis of its secondary structure by in vitro RNA probing, which is more accurate than using prediction programs only. This chapter presents in vitro RNA probing protocols that we routinely use, from RNA transcript production and purification to RNA structure determination using enzymatic (RNases T1, T2, and V1) and chemical (DMS, CMCT, kethoxal, and Pb(2+)) probing performed on both unlabeled and end-labeled RNAs. PMID:25791596

  14. Near edge X-ray absorption fine structure spectroscopy as a tool to probe electronic and structural properties of thin organic films and liquids.

    PubMed

    Hähner, Georg

    2006-12-01

    Synchrotron-based spectroscopic techniques have contributed significantly to a better understanding of the properties of materials on the macroscopic and microscopic scale over the last decades. They can be applied to samples from a diversity of fields, including Biology, Life Sciences, Chemistry and Materials. One of these techniques is Near Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy, revealing electronic structure and information on the orientation of adsorbed molecules. The present article describes the basics of the technique and the progress it has made over the last three decades, and summarizes some of its more recent developments and applications. This tutorial review article should be accessible for novices to the field from Physics, Chemistry, Biology, Materials, and the Life Sciences, interested in thin organic films and liquid systems. PMID:17225886

  15. Current perspectives on RNA secondary structure probing.

    PubMed

    Kenyon, Julia; Prestwood, Liam; Lever, Andrew

    2014-08-01

    The range of roles played by structured RNAs in biological systems is vast. At the same time as we are learning more about the importance of RNA structure, recent advances in reagents, methods and technology mean that RNA secondary structural probing has become faster and more accurate. As a result, the capabilities of laboratories that already perform this type of structural analysis have increased greatly, and it has also become more widely accessible. The present review summarizes established and recently developed techniques. The information we can derive from secondary structural analysis is assessed, together with the areas in which we are likely to see exciting developments in the near future. PMID:25110033

  16. Nonlinear optical properties and nonlinear optical probes of organic materials

    NASA Astrophysics Data System (ADS)

    Meredith, Gerald R.

    1992-02-01

    Nonlinear optical processes and electro-optical effects are expected to have increasing importance as the information age matures and photonics augment electronics in various high density and high bandwidth technologies. Whereas for electronics the emphasis is in construction of smaller device structures from a few parent materials, for organic materials the direction of materials research has been reversed. For some time it's been known that some molecular structures engender exceptionally large molecular nonlinear-polarization responses. If such molecules could be assembled in convenient, versatile, and reliable ways, the resulting materials would be very useful or even enabling in various photonics applications. The mature science and art of chemistry allows very good control over molecular composition and structure and, as will be illustrated in this talk, our knowledge of hyperpolarizability structure- property relationships is advancing rapidly. However, the science of fabrication and arrangement in molecular ensembles and polymers is rather primitive. Thus the goal to develop the appropriately structured materials for utilization in nonlinear and electro-optics has fostered the widespread use of nonlinear optical processes to probe the nature of supramolecular order and assembly. Examples of intrinsic and artificially assembled structures of crystals, molecular aggregates, polymeric orientational electrets and molecular mono- and multi-layer thin films will be shown. Nonlinear optical processes, primarily second-harmonic generation, provide unique probes of these structures, their assembly, and evolution.

  17. Insight into Amyloid Structure Using Chemical Probes

    PubMed Central

    Reinke, Ashley A.; Gestwicki, Jason E.

    2011-01-01

    Alzheimer’s disease (AD) is a common neurodegenerative disorder characterized by the deposition of amyloids in the brain. One prominent form of amyloid is composed of repeating units of the amyloid-β (Aβ) peptide. Over the past decade, it has become clear that these Aβ amyloids are not homogeneous; rather, they are composed of a series of structures varying in their overall size and shape and the number of Aβ peptides they contain. Recent theories suggest that these different amyloid conformations may play distinct roles in disease, although their relative contributions are still being discovered. Here, we review how chemical probes, such as congo red, thioflavin T and their derivatives, have been powerful tools for better understanding amyloid structure and function. Moreover, we discuss how design and deployment of conformationally selective probes might be used to test emerging models of AD. PMID:21457473

  18. Single Probes, Double Probes, and the Structure of Memory Traces.

    ERIC Educational Resources Information Center

    Bruce, Darryl

    1980-01-01

    Memory for names was queried by single probes consisting of conceptual information about the persons or by double probes combining two single cues. Results were viewed as consistent with Jones's fragmentation hypothesis and with the general class of associative theories of memory. (Author/RD)

  19. Probing microscopic mechanical properties of hard tissues with Brillouin spectroscopy

    NASA Astrophysics Data System (ADS)

    Meng, Zhaokai; Yakovlev, Vladislav V.

    2015-02-01

    Mechanical properties of hard tissues play an important role in understanding underlying biological structures, as well as assessing the quality of artificial bone replacement materials. In this study, we employed Brillouin spectroscopy as a non-invasive approach to probe the microscopic elasticity of hard tissues, such as bones. Brillouin spectra were collected using a background free virtually imaged phased array spectrometer. As a reference, Raman spectra were also acquired for each imaging point. Experimental results reveal a positive correlation between the local concentration of the mineral content and the corresponding tissue stiffness, assessed through a Brillouin shift.

  20. Single molecule probes of membrane structure: orientation of BODIPY probes in DPPC as a function of probe structure.

    PubMed

    Armendariz, Kevin P; Huckabay, Heath A; Livanec, Philip W; Dunn, Robert C

    2012-03-21

    Single molecule fluorescence measurements have recently been used to probe the orientation of fluorescent lipid analogs doped into lipid films at trace levels. Using defocused polarized total internal reflection fluorescence microscopy (PTIRF-M), these studies have shown that fluorophore orientation responds to changes in membrane surface pressure and composition, providing a molecular level marker of membrane structure. Here we extend those studies by characterizing the single molecule orientations of six related BODIPY probes doped into monolayers of DPPC. Langmuir-Blodgett monolayers transferred at various surface pressures are used to compare the response from fluorescent lipid analogs in which the location of the BODIPY probe is varied along the length of the acyl chain. For each BODIPY probe location along the chain, comparisons are made between analogs containing phosphocholine and smaller fatty acid headgroups. Together these studies show a general propensity of the BODIPY analogs to insert into membranes with the BODIPY probe aligned along the acyl chains or looped back to interact with the headgroups. For all BODIPY probes studied, a bimodal orientation distribution is observed which is sensitive to surface pressure, with the population of BODIPY probes aligned along the acyl chains increasing with elevated surface pressure. Trends in the single molecule orientations for the six analogs reveal a configuration where optimal placement of the BODIPY probe within the acyl chain maximizes its sensitivity to the surrounding membrane structure. These results are discussed in terms of balancing the effects of headgroup association with acyl chain length in designing the optimal placement of the BODIPY probe. PMID:22322157

  1. The theory of Langmuir probes in strong electrostatic potential structures

    NASA Technical Reports Server (NTRS)

    Borovsky, J. E.

    1986-01-01

    The operation of collecting and emitting Langmuir probes and double probes within time-stationary strong electrostatic potential structures is analyzed. The cross sections of spherical and cylindrical probes to charged particles within the structures are presented and used to obtain the current-voltage characteristics of idealized probes. The acquisition of plasma parameters from these characteristics is outlined, and the operation of idealized floating double-probe systems is analyzed. Probe surface effects are added to the idealized theory, and some surface effects pertinent to spacecraft probes are quantified. Magnetic field effects on idealized probes are examined, and the time required for floating probes to change their potentials by collecting charge and by emitting photoelectrons is discussed. Calculations on the space-charge effects of probe-perturbed beams and on the space-charge limiting of electron emission are given in an appendix.

  2. Ionization probes of molecular structure and chemistry

    SciTech Connect

    Johnson, P.M.

    1993-12-01

    Various photoionization processes provide very sensitive probes for the detection and understanding of the spectra of molecules relevant to combustion processes. The detection of ionization can be selective by using resonant multiphoton ionization or by exploiting the fact that different molecules have different sets of ionization potentials. Therefore, the structure and dynamics of individual molecules can be studied even in a mixed sample. The authors are continuing to develop methods for the selective spectroscopic detection of molecules by ionization, and to use these methods for the study of some molecules of combustion interest.

  3. Probing the Structures and Electronic Properties of Dual-Phosphorus-Doped Gold Cluster Anions (AunP-2, n = 1–8): A Density functional Theory Investigation

    SciTech Connect

    Xu, Kang-Ming; Huang, Teng; Liu, Yi-Rong; Jiang, Shuai; Zhang, Yang; Lv, Yu-Zhou; Gai, Yan-Bo; Huang, Wei

    2015-07-29

    The geometries of gold clusters doped with two phosphorus atoms, (AunP-2, n = 1–8) were investigated using density functional theory (DFT) methods. Various two-dimensional (2D) and three-dimensional (3D) structures of the doped clusters were studied. The results indicate that the structures of dual-phosphorus-doped gold clusters exhibit large differences from those of pure gold clusters with small cluster sizes. In our study, as for Au6P-2, two cis–trans isomers were found. The global minimum of Au8P-2 presents a similar configuration to that of Au-20, a pyramid-shaped unit, and the potential novel optical and catalytic properties of this structure warrant further attention. The higher stability of AunP-2 clusters relative to Au-n+2 (n = 1–8) clusters was verified based on various energy parameters, and the results indicate that the phosphorus atom can improve the stabilities of the gold clusters. We then explored the evolutionary path of (n = 1–8) clusters. We found that AunP-2 clusters exhibit the 2D–3D structural transition at n = 6, which is much clearer and faster than that of pure gold clusters and single-phosphorus-doped clusters. The electronic properties of AunP-2 (n = 1–8) were then investigated. The photoelectron spectra provide additional fundamental information on the structures and molecular orbitals shed light on the evolution of AunP-2 (n = 1–8). Natural bond orbital (NBO) described the charge distribution in stabilizing structures and revealed the strong relativistic effects of the gold atoms.

  4. Advances in Structural Studies of Materials using Scattering Probes

    SciTech Connect

    Huq, Ashfia; Bozin, Emil; Welberry, Dr. Richard

    2010-01-01

    Study of contemporary materials and their remarkable properties is a challenging problem. To understand these complex properties and develop better materials it is essential to understand their structures, as the two are intimately linked. Great advances in materials scattering have been achieved due to the advent of synchrotron and neutron sources along with the availability of high-speed computational algorithms. Materials scientists can now collect data with high resolution, high throughput from very small amount of sample (both single crystal and powder), and analyze vast amount of data to unravel detailed structural description that was not possible before. This article presents some of these great advances in using scattering probes for materials characterization.

  5. Properties of contact pressure induced by manually operated fiber-optic probes.

    PubMed

    Bregar, Maksimilijan; Cugmas, Blaž; Naglic, Peter; Hartmann, Daniela; Pernuš, Franjo; Likar, Boštjan; Bürmen, Miran

    2015-12-01

    We assess the properties of contact pressure applied by manually operated fiber-optic probes as a function of the operator, probe contact area, and sample stiffness. First, the mechanical properties of human skin sites with different skin structures, thicknesses, and underlying tissues were studied by in vivo indentation tests. According to the obtained results, three different homogeneous silicone skin phantoms were created to encompass the observed range of mechanical properties. The silicon phantoms were subsequently used to characterize the properties of the contact pressure by 10 experienced probe operators employing fiber-optic probes with different contact areas. A custom measurement system was used to collect the time-lapse of diffuse reflectance and applied contact pressure. The measurements were characterized by a set of features describing the transient and steady-state properties of the contact pressure and diffuse reflectance in terms of rise time, optical coupling, average value, and variability. The average applied contact pressure and contact pressure variability were found to significantly depend on the probe operator, probe contact area, and surprisingly also on the sample stiffness. Based on the presented results, we propose a set of practical guidelines for operators of manual probes. PMID:26720880

  6. Complex quantum networks as structured environments: engineering and probing

    PubMed Central

    Nokkala, Johannes; Galve, Fernando; Zambrini, Roberta; Maniscalco, Sabrina; Piilo, Jyrki

    2016-01-01

    We consider structured environments modeled by bosonic quantum networks and investigate the probing of their spectral density, structure, and topology. We demonstrate how to engineer a desired spectral density by changing the network structure. Our results show that the spectral density can be very accurately detected via a locally immersed quantum probe for virtually any network configuration. Moreover, we show how the entire network structure can be reconstructed by using a single quantum probe. We illustrate our findings presenting examples of spectral densities and topology probing for networks of genuine complexity. PMID:27230125

  7. Complex quantum networks as structured environments: engineering and probing

    NASA Astrophysics Data System (ADS)

    Nokkala, Johannes; Galve, Fernando; Zambrini, Roberta; Maniscalco, Sabrina; Piilo, Jyrki

    2016-05-01

    We consider structured environments modeled by bosonic quantum networks and investigate the probing of their spectral density, structure, and topology. We demonstrate how to engineer a desired spectral density by changing the network structure. Our results show that the spectral density can be very accurately detected via a locally immersed quantum probe for virtually any network configuration. Moreover, we show how the entire network structure can be reconstructed by using a single quantum probe. We illustrate our findings presenting examples of spectral densities and topology probing for networks of genuine complexity.

  8. Complex quantum networks as structured environments: engineering and probing.

    PubMed

    Nokkala, Johannes; Galve, Fernando; Zambrini, Roberta; Maniscalco, Sabrina; Piilo, Jyrki

    2016-01-01

    We consider structured environments modeled by bosonic quantum networks and investigate the probing of their spectral density, structure, and topology. We demonstrate how to engineer a desired spectral density by changing the network structure. Our results show that the spectral density can be very accurately detected via a locally immersed quantum probe for virtually any network configuration. Moreover, we show how the entire network structure can be reconstructed by using a single quantum probe. We illustrate our findings presenting examples of spectral densities and topology probing for networks of genuine complexity. PMID:27230125

  9. Probing Water Structures in Nanopores Using Tunneling Currents

    NASA Astrophysics Data System (ADS)

    Boynton, P.; Di Ventra, M.

    2013-11-01

    We study the effect of volumetric constraints on the structure and electronic transport properties of distilled water in a nanopore with embedded electrodes. Combining classical molecular dynamics simulations with quantum scattering theory, we show that the structural motifs water exhibits inside the pore can be probed directly by tunneling. In particular, we show that the current does not follow a simple exponential curve at a critical pore diameter of about 8 Å, rather it is larger than the one expected from simple tunneling through a barrier. This is due to a structural transition from bulklike to “nanodroplet” water domains. Our results can be tested with present experimental capabilities to develop our understanding of water as a complex medium at nanometer length scales.

  10. Oxygen transport as a structure probe for amorphous polymeric systems

    NASA Astrophysics Data System (ADS)

    Liu, Richard Yufeng

    Although permeability of small molecules is often measured as an important performance property, deeper analysis of the transport characteristics provides insight into polymer structure, especially if used in combination with other characterization techniques. Transport of small gas molecules "senses" the permeable amorphous structure and probes the nature of free volume. This work focuses on oxygen transport, supplemented with other methods of physical analysis, as a probe for: (1) the nature of free volume in the oriented glassy state, (2) the role of amorphous phase orientation and strain-induced crystallization on oxygen barrier properties of polyester blends, and (3) the nature of interphase between immiscible amorphous polymers in forced-assemblies. In the first part, the mechanism of oxygen transport in oriented glassy polyesters is examined. PET, PETBB55, and PEN were oriented by cold-drawing. Densification of the glassy state correlates with conformational transformation of glycol linkages from gauche to trans. Orientation is seen as a process of decreasing the amount of excess-hole free volume and bringing the nonequilibrium polymer glass closer to the equilibrium condition. Further insights into the free volume structure are obtained by exploring the relationships between free volume structure and oxygen transport property using a simple lattice-hole model. In the second part, oxygen transport through polyester blends is investigated. It is found that cold-drawing the blocky PET/PETBB55 produces highly oriented PETBB55 frustrated LCP microfibrils, which prevent relaxation of the continuous PET phase. On the other hand, careful examination of oxygen barrier for the PET/PEI blends leads to a two-phase model from which the amount of crystallinity and the amorphous phase density are determined. In the third part, oxygen permeability is utilized as a powerful probe for interphase thickness between immiscible polymers, which is as thin as a few nanometers. We

  11. Probing semiconductor band structures and heterojunction interface properties with ballistic carrier emission: GaAs/AlxGa1-xAs as a model system

    NASA Astrophysics Data System (ADS)

    Yi, Wei; Narayanamurti, Venkatesh; Lu, Hong; Scarpulla, Michael A.; Gossard, Arthur C.

    2010-06-01

    Utilizing three-terminal tunnel emission of ballistic electrons and holes in a planar tunnel transistor with a Mott-barrier collector, we have developed a method to self-consistently determine the energy gap of a semiconductor and band discontinuities at a semiconductor heterojunction without using a priori material parameters. Measurements are performed on lattice-matched GaAs/AlxGa1-xAs (100) single-barrier double heterostructures with AlxGa1-xAs as the model ternary III-V compounds. Electronic band gaps of the AlGaAs alloys and band offsets at the GaAs/AlGaAs (100) interfaces are measured with a resolution of several meV at 4.2 K. The direct-gap Γ band offset ratio for the GaAs/AlGaAs (100) interface is found to be 59:41 (±3%) . Reexamination of our previous experiment [W. Yi , Appl. Phys. Lett. 95, 112102 (2009)10.1063/1.3224914] revealed that, in the indirect-gap regime, ballistic electrons from direct tunnel emissions probe the X valley in the conduction band, while those from Auger-like scattering processes in the metal base film probe the higher-lying L valley. Such selective electron collection may be explained by their different momentum distributions and parallel momentum conservation at the quasiepitaxial Al/GaAs (100) interface. We argue that the present method is in principle applicable to arbitrary type-I semiconductor heterostructures.

  12. Seismic probes of solar interior magnetic structure.

    PubMed

    Hanasoge, Shravan; Birch, Aaron; Gizon, Laurent; Tromp, Jeroen

    2012-09-01

    Sun spots are prominent manifestations of solar magnetoconvection, and imaging their subsurface structure is an outstanding problem of wide physical importance. Travel times of seismic waves that propagate through these structures are typically used as inputs to inversions. Despite the presence of strongly anisotropic magnetic waveguides, these measurements have always been interpreted in terms of changes to isotropic wave speeds and flow-advection-related Doppler shifts. Here, we employ partial-differential-equation-constrained optimization to determine the appropriate parametrization of the structural properties of the magnetic interior. Seven different wave speeds fully characterize helioseismic wave propagation: the isotropic sound speed, a Doppler-shifting flow-advection velocity, and an anisotropic magnetic velocity. The structure of magnetic media is sensed by magnetoacoustic slow and fast modes and Alfvén waves, each of which propagates at a different wave speed. We show that even in the case of weak magnetic fields, significant errors may be incurred if these anisotropies are not accounted for in inversions. Translation invariance is demonstrably lost. These developments render plausible the accurate seismic imaging of magnetoconvection in the Sun. PMID:23005276

  13. Atom-probe and field emission electron spectroscopy studies of ordered structures and electronic properties of Ge overlayers on Ir-tips

    NASA Astrophysics Data System (ADS)

    Ashino, Makoto; Tomitori, Masahiko; Nishikawa, Osamu

    1994-03-01

    The combined instrument of an atom probe (AP) and a field emission electron spectroscope (FEES) was employed to investigate the crystallinity and the surface electronic state of Ge overlayers deposited on Ir tips. The crystallinity of Ge overlayers deposited at 300 and 420 K, and those annealed after the deposition, is better than that of the overlayers deposited at 50 K. The surface electronic state of the well-crystallized Ge overlayer is semiconductive at the thickness of ≈4 ML. When the degree of crystallinity is rather low or Ir atoms exist in the Ge overlayer, even a thick overlayer exhibits metallic surface electronic states. When an Ir atom exists on the overlayer surface, a small peak appears at ≈ 0.3 eV below the Fermi level in the field emission electron distribution (FEED), indicating a local state of the Ir atom.

  14. Oxygen transport as a structure probe for heterogeneous polymeric systems

    NASA Astrophysics Data System (ADS)

    Hu, Yushan

    Although permeability of small molecules is often measured as an important performance property, deeper analysis of the transport characteristics provides insight into polymer structure, especially if used in combination with other characterization techniques. Transport of small gas molecules senses the permeable amorphous structure and probes the nature of free volume. This work focuses on oxygen transport, supplemented with other methods of physical analysis, as a probe for: (1) the nature of free volume and crystalline morphology in the crystallized glassy state, (2) the nature of free volume and hierarchical structure in liquid crystalline polymers, and (3) the role of dispersed polyamide phase geometry on oxygen barrier properties of poly(ethylene terephthalate) (PET)/polyamide blends. In the first part, the improvement in oxygen-barrier properties of glassy polyesters by crystallization was examined. Examples included poly(ethylene naphthalate) (PEN), and a copolymer based on PET in which 55 mol% terephthalate was replaced with 4,4'-bibenzoate. Explanation of the unexpectedly high solubility of crystallized PEN required a two-phase transport model consisting of an impermeable crystalline phase of constant density and a permeable amorphous phase of variable density. The resulting relationship between oxygen solubility and amorphous phase density was consistent with free volume concepts of gas sorption. In the second part, oxygen barrier properties of liquid crystalline (LC) polyesters based on poly(diethylene glycol 4,4'-bibenzoate) (PDEGBB) were studied. This study extended the 2-phase transport model for oxygen transport of non-LC crystalline polymers to a smectic LCP. It was possible to systematically vary the solid state structure of (PDEGBB) from LC glass to crystallized LC glass. The results were consistent with a liquid crystalline state intermediate between the permeable amorphous glass and the impermeable 3-dimensional crystal. In this interpretation

  15. Monitoring Coaxial-Probe Contact Force for Dielectric Properties Measurement

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A means is described for measuring and monitoring the contact force applied to a material sample with an open-ended coaxial-line probe for purposes of measuring the dielectric properties of semisolid material samples such as fruit, vegetable and animal tissues. The equipment consists of a stainless...

  16. Using magnons to probe spintronic materials properties

    NASA Astrophysics Data System (ADS)

    McMichael, Robert

    2012-02-01

    For many spin-based electronic devices, from the read sensors in modern hard disk drives to future spintronic logic concepts, the device physics originates in spin polarized currents in ferromagnetic metals. In this talk, I will describe a novel ``Spin Wave Doppler'' method that uses the interaction of spin waves with spin-polarized currents to determine the spin drift velocity and the spin current polarization [1]. Owing to differences between the band structures of majority-spin and minority-spin electrons, the electrical current also carries an angular momentum current and magnetic moment current. Passing these coupled currents though a magnetic wire changes the linear excitations of the magnetization, i.e spin waves. Interestingly, the excitations can be described as drifting ``downstream'' with the electron flow. We measure this drift velocity by monitoring the spin-wave-mediated transmission between pairs of periodically patterned antennas on magnetic wires as a function of current density in the wire. The transmission frequency resonance shifts by 2πδf = vk where the drift velocity v is proportional to both the current density and the current polarization P. I will discuss measurements of the spin polarization of the current in Ni80Fe20 [2], and novel alloys (CoFe)1-xGax [3] and (Ni80Fe20)1-xGdx [4]. [4pt] [1] V. Vlaminck and M. Bailleul, Science, 322, 410 (2008) [0pt] [2] M. Zhu, C. L. Dennis, and R. D. McMichael, Phys. Rev. B, 81, 140407 (2010). [0pt] [3] M. Zhu, B. D. Soe, R. D. McMichael, M. J. Carey, S. Maat, and J. R. Childress, Appl. Phys. Lett., 98, 072510 (2011). [0pt] [4] R. L. Thomas, M. Zhu, C. L. Dennis, V. Misra and R. D. McMichael, J. Appl. Phys., 110, 033902 (2011).

  17. Nanoparticle Probes for Structural and Functional Photoacoustic Molecular Tomography

    PubMed Central

    Chen, Haobin; Yuan, Zhen; Wu, Changfeng

    2015-01-01

    Nowadays, nanoparticle probes have received extensive attention largely due to its potential biomedical applications in structural, functional, and molecular imaging. In addition, photoacoustic tomography (PAT), a method based on the photoacoustic effect, is widely recognized as a robust modality to evaluate the structure and function of biological tissues with high optical contrast and high acoustic resolution. The combination of PAT with nanoparticle probes holds promises for detecting and imaging diseased tissues or monitoring their treatments with high sensitivity. This review will introduce the recent advances in the emerging field of nanoparticle probes and their preclinical applications in PAT, as well as relevant perspectives on future development. PMID:26609534

  18. Probing of structural relaxation times in the glassy state of sucrose and trehalose based on dynamical properties of two secondary relaxation processes

    SciTech Connect

    Kaminski, K.; Adrjanowicz, K.; Paluch, M.; Kaminska, E.

    2011-06-15

    Time-dependent isothermal dielectric measurements were carried out deeply in the glassy state on two very important saccharides: sucrose and trehalose. In both compounds two prominent secondary relaxation processes were identified. The faster one is an inherent feature of the whole family of carbohydrates. The slower one can also be detected in oligo- and polysaccharides. It was shown earlier that the {beta} process is the Johari-Goldstein (JG) relaxation coupled to motions of the glycosidic linkage, while the {gamma} relaxation originates from motions of the exocyclic hydroxymethyl unit. Recently, it was shown that the JG relaxation process can be used to determine structural relaxation times in the glassy state [R. Casalini and C. M. Roland, Phys. Rev. Lett. 102, 035701 (2009)]. In this paper we present the results of an analysis of the data obtained during aging using two independent approaches. The first was proposed by Casalini and Roland, and the second one is based on the variation of the dielectric strength of the secondary relaxation process during aging [J. K. Vij and G. Power, J. Non-Cryst. Solids 357, 783 (2011)]. Surprisingly, we found that the estimated structural relaxation times in the glassy state of both saccharides are almost the same, independent of the type of secondary mode. This finding calls into question the common view that secondary modes of intramolecular origin do not provide information about the dynamics of the glassy state.

  19. Association dynamics and linear and nonlinear optical properties of an N-acetylaladanamide probe in a POPC membrane.

    PubMed

    Murugan, N Arul; Apostolov, Rossen; Rinkevicius, Zilvinas; Kongsted, Jacob; Lindahl, Erik; Ågren, Hans

    2013-09-11

    Along with the growing evidence that relates membrane abnormalities to various diseases, biological membranes have been acknowledged as targets for therapy. Any such abnormality in the membrane structure alters the membrane potential which in principle can be captured by measuring properties of specific optical probes. There exists by now many molecular probes with absorption and fluorescence properties that are sensitive to local membrane structure and to the membrane potential. To suggest new high-performance optical probes for membrane-potential imaging it is important to understand in detail the membrane-induced structural changes in the probe, the membrane association dynamics of the probe, and its membrane-specific optical properties. To contribute to this effort, we here study an optical probe, N-acetylaladanamide (NAAA), in the presence of a POPC lipid bilayer using a multiscale integrated approach to assess the probe structure, dynamics, and optical properties in its membrane-bound status and in water solvent. We find that the probe eventually assimilates into the membrane with a specific orientation where the hydrophobic part of the probe is buried inside the lipid bilayer, while the hydrophilic part is exposed to the water solvent. The computed absorption maximum is red-shifted when compared to the gas phase. The computations of the two-photon absorption and second harmonic generation cross sections of the NAAA probe in its membrane-bound state which is of its first kind in the literature suggest that this probe can be used for imaging the membrane potential using nonlinear optical microscopy. PMID:23951997

  20. Growth of cosmic structure: Probing dark energy beyond expansion

    NASA Astrophysics Data System (ADS)

    Huterer, Dragan; Kirkby, David; Bean, Rachel; Connolly, Andrew; Dawson, Kyle; Dodelson, Scott; Evrard, August; Jain, Bhuvnesh; Jarvis, Michael; Linder, Eric; Mandelbaum, Rachel; May, Morgan; Raccanelli, Alvise; Reid, Beth; Rozo, Eduardo; Schmidt, Fabian; Sehgal, Neelima; Slosar, Anže; van Engelen, Alex; Wu, Hao-Yi; Zhao, Gongbo

    2015-03-01

    The quantity and quality of cosmic structure observations have greatly accelerated in recent years, and further leaps forward will be facilitated by imminent projects. These will enable us to map the evolution of dark and baryonic matter density fluctuations over cosmic history. The way that these fluctuations vary over space and time is sensitive to several pieces of fundamental physics: the primordial perturbations generated by GUT-scale physics; neutrino masses and interactions; the nature of dark matter and dark energy. We focus on the last of these here: the ways that combining probes of growth with those of the cosmic expansion such as distance-redshift relations will pin down the mechanism driving the acceleration of the Universe. One way to explain the acceleration of the Universe is invoke dark energy parameterized by an equation of state w. Distance measurements provide one set of constraints on w, but dark energy also affects how rapidly structure grows; the greater the acceleration, the more suppressed the growth of structure. Upcoming surveys are therefore designed to probe w with direct observations of the distance scale and the growth of structure, each complementing the other on systematic errors and constraints on dark energy. A consistent set of results will greatly increase the reliability of the final answer. Another possibility is that there is no dark energy, but that General Relativity does not describe the laws of physics accurately on large scales. While the properties of gravity have been measured with exquisite precision at stellar system scales and densities, within our solar system and by binary pulsar systems, its properties in different environments are poorly constrained. To fully understand if General Relativity is the complete theory of gravity we must test gravity across a spectrum of scales and densities. Rapid developments in gravitational wave astronomy and numerical relativity are directed at testing gravity in the high

  1. Nuclear structure studies with intermediate energy probes

    SciTech Connect

    Lee, T.S.H.

    1993-10-01

    Nuclear structure studies with pions are reviewed. Results from a recent study of 1 p-shell nuclei using (e,e{prime}), ({pi}, {pi}{prime}), and ({gamma},{pi}) reactions are reported. Future nuclear structure studies with GeV electrons at CEBAF are also briefly discussed.

  2. Probing Nuclear Structure with Fast Neutrons

    SciTech Connect

    Yates, Steven W.

    2009-01-28

    The advantages of using inelastic neutron scattering with detection of the emitted {gamma} rays, i.e., the (n,n'{gamma}) reaction, for exploring the structure of stable nuclei are reviewed. Examples of the information available with these techniques are provided and progress in understanding multiphonon excitations is described. The unique nuclear structure of {sup 94}Zr is discussed.

  3. Auroral Spatial Structures Probe Sub-Orbital Mission Preliminary Results

    NASA Astrophysics Data System (ADS)

    Pratt, J.; Swenson, C.; Martineau, R. J.; Fish, C. S.; Conde, M.; Hampton, D.; Crowley, G.

    2015-12-01

    The NASA Auroral Spatial Structures Probe, 49.002, was launched January 28, 2015 from the Poker Flat Research Range into active aurora over the northern coast of Alaska. The primary objective of this mission was to determine the contribution of small spatial and temporal scale fluctuations of the electric fields to the larger-scale energy deposition processes associated with the aurora. The Auroral Spatial Structures Probe Sub-Orbital Mission consisted of a formation of 7 spacecraft (a main payload with 6 deployable sub-payloads) designed for multiple temporally spaced co-located measurements of electric and magnetic fields in the earth's ionosphere. The mission was able to make observations at a short time scale and small spatial scale convergence that is unobservable by either satellite or ground-based observations. The payloads included magnetometers, electric field double probes, and Langmuir probes as well as a sweeping impedance probe on the main payload. We present here preliminary results from the measurements taken that hint at the underlying spatial structure of the currents and energy deposition in the aurora. The Poynting flux derived from the observations is shown and implications are discussed in terms of the contribution of small spatial scale, rapid temporal scale fluctuations in the currents that deposit energy in the auroral region. Funding provided by NASA Grants NNX11AE23G and NNX13AN20A.

  4. The Large-scale Structure of the Universe: Probes of Cosmology and Structure Formation

    NASA Astrophysics Data System (ADS)

    Noh, Yookyung

    The usefulness of large-scale structure as a probe of cosmology and structure formation is increasing as large deep surveys in multi-wavelength bands are becoming possible. The observational analysis of large-scale structure guided by large volume numerical simulations are beginning to offer us complementary information and crosschecks of cosmological parameters estimated from the anisotropies in Cosmic Microwave Background (CMB) radiation. Understanding structure formation and evolution and even galaxy formation history is also being aided by observations of different redshift snapshots of the Universe, using various tracers of large-scale structure. This dissertation work covers aspects of large-scale structure from the baryon acoustic oscillation scale, to that of large scale filaments and galaxy clusters. First, I discuss a large- scale structure use for high precision cosmology. I investigate the reconstruction of Baryon Acoustic Oscillation (BAO) peak within the context of Lagrangian perturbation theory, testing its validity in a large suite of cosmological volume N-body simulations. Then I consider galaxy clusters and the large scale filaments surrounding them in a high resolution N-body simulation. I investigate the geometrical properties of galaxy cluster neighborhoods, focusing on the filaments connected to clusters. Using mock observations of galaxy clusters, I explore the correlations of scatter in galaxy cluster mass estimates from multi-wavelength observations and different measurement techniques. I also examine the sources of the correlated scatter by considering the intrinsic and environmental properties of clusters.

  5. Oxygen as a site specific structural probe in neutron diffraction

    SciTech Connect

    Neuefeind, Joerg C; Simonson, J Michael {Mike}; Salmon, Phil; Zeidler, Anita; Fischer, Henry E; Rauch, Helmut; Markland, Thomas; Lemmel, Hartmut

    2011-01-01

    Oxygen is a ubiquitous element, playing an essential role in most scientific and technological disciplines, and is often incorporated within a structurally disordered material where examples include molten silicates in planetary science, glasses used for lasers and optical communication, and water in biological processes. Establishing the structure of a liquid or glassy oxide and thereby its relation to the functional properties of a material is not, however, a trivial task owing to the complexity associated with atomic disorder. Here we approach this challenge by measuring the bound coherent neutron scattering lengths of the oxygen isotopes with the sensitive technique of neutron interferometry. We find that there is a small but finite contrast of 0.204(6) fm between the scattering lengths of the isotope 18O and oxygen of natural isotopic abundance natO, contrary to tables of recommended values. This has enabled us to investigate the structure of both light and heavy water by exploiting, for the first time, the method of oxygen isotope substitution in neutron diffraction, thus circumventing many of the significant problems associated with more traditional methods in which hydrogen is substituted by deuterium. We find a difference of ~0.5% between the O-H and O-D intra-molecular bond distances which is much smaller than recent estimates based on diffraction data and is found to be in excellent agreement with path integral molecular dynamics simulations made with a flexible polarisable water model. Our results demonstrate the potential for using oxygen isotope substitution as a powerful and effective site specific probe in a plethora of materials, of pertinence as instrumentation at next generation neutron sources comes online

  6. Probing the Physical Structures of Dense Filaments

    NASA Astrophysics Data System (ADS)

    Li, Di

    2015-08-01

    Filament is a common feature in cosmological structures of various scales, ranging from dark matter cosmic web, galaxy clusters, inter-galactic gas flows, to Galactic ISM clouds. Even within cold dense molecular cores, filaments have been detected. Theories and simulations with (or without) different combination of physical principles, including gravity, thermal balance, turbulence, and magnetic field, can reproduce intriguing images of filaments. The ubiquity of filaments and the similarity in simulated ones make physical parameters, beyond dust column density, a necessity for understanding filament evolution. I report three projects attempting to measure physical parameters of filaments. We derive the volume density of a dense Taurus filament based on several cyanoacetylene transitions observed by GBT and ART. We measure the gas temperature of the OMC 2-3 filament based on combined GBT+VLA ammonia images. We also measured the sub-millimeter polarization vectors along OMC3. These filaments were found to be likely a cylinder-type structure, without dynamic heating, and likely accreting mass along the magnetic field lines.

  7. Substrate texture properties induce triatomine probing on bitten warm surfaces

    PubMed Central

    2011-01-01

    Background In this work we initially evaluated whether the biting process of Rhodnius prolixus relies on the detection of mechanical properties of the substrate. A linear thermal source was used to simulate the presence of a blood vessel under the skin of a host. This apparatus consisted of an aluminium plate and a nickel-chrome wire, both thermostatized and presented at 33 and 36°C, respectively. To evaluate whether mechanical properties of the substrate affect the biting behaviour of bugs, this apparatus was covered by a latex membrane. Additionally, we evaluated whether the expression of probing depends on the integration of bilateral thermal inputs from the antennae. Results The presence of a latex cover on a thermal source induced a change in the biting pattern shown by bugs. In fact, with latex covered sources it was possible to observe long bites that were never performed in response to warm metal surfaces. The total number of bites was higher in intact versus unilaterally antennectomized insects. These bites were significantly longer in intact than in unilaterally antennectomized insects. Conclusions Our results suggest that substrate recognition by simultaneous input through thermal and mechanical modalities is required for triggering maxillary probing activity. PMID:21682881

  8. Gravitational Microlensing as a probe of Quasar Structure

    NASA Astrophysics Data System (ADS)

    Floyd, David

    2011-01-01

    Gravitational microlensing provides information at the micro-to-nano arcsecond scale necessary to probe the structure of the central engine of quasars. We can now determine the radius of the broad line emitting regions, and measure the temperature profile of the continuum emitting region using single-epoch observations. I will present X-shooter spectroscopy that provides new insight into the accretion mechanism, and the structure of the broad line region.

  9. Probing physical properties at the nanoscale using atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Ditzler, Lindsay Rachel

    Techniques that measure physical properties at the nanoscale with high sensitivity are significantly limited considering the number of new nanomaterials being developed. The development of atomic force microscopy (AFM) has lead to significant advancements in the ability to characterize physical properties of materials in all areas of science: chemistry, physics, engineering, and biology have made great scientific strides do to the versatility of the AFM. AFM is used for quantification of many physical properties such as morphology, electrical, mechanical, magnetic, electrochemical, binding interactions, and protein folding. This work examines the electrical and mechanical properties of materials applicable to the field of nano-electronics. As electronic devices are miniaturized the demand for materials with unique electrical properties, which can be developed and exploited, has increased. For example, discussed in this work, a derivative of tetrathiafulvalene, which exhibits a unique loss of conductivity upon compression of the self-assembled monolayer could be developed into a molecular switch. This work also compares tunable organic (tetraphenylethylene tetracarboxylic acid and bis(pyridine)s assemblies) and metal-organic (Silver-stilbizole coordination compounds) crystals which show high electrical conductivity. The electrical properties of these materials vary depending on their composition allowing for the development of compositionally tunable functional materials. Additional work was done to investigate the effects of molecular environment on redox active 11-ferroceneyl-1 undecanethiol (Fc) molecules. The redox process of mixed monolayers of Fc and decanethiol was measured using conductive probe atomic force microscopy and force spectroscopy. As the concentration of Fc increased large, variations in the force were observed. Using these variations the number of oxidized molecules in the monolayer was determined. AFM is additionally capable of investigating

  10. Predicting RNA secondary structures from sequence and probing data.

    PubMed

    Lorenz, Ronny; Wolfinger, Michael T; Tanzer, Andrea; Hofacker, Ivo L

    2016-07-01

    RNA secondary structures have proven essential for understanding the regulatory functions performed by RNA such as microRNAs, bacterial small RNAs, or riboswitches. This success is in part due to the availability of efficient computational methods for predicting RNA secondary structures. Recent advances focus on dealing with the inherent uncertainty of prediction by considering the ensemble of possible structures rather than the single most stable one. Moreover, the advent of high-throughput structural probing has spurred the development of computational methods that incorporate such experimental data as auxiliary information. PMID:27064083

  11. Probing mechanical properties of liposomes using acoustic sensors.

    PubMed

    Melzak, Kathryn A; Bender, Florian; Tsortos, Achilleas; Gizeli, Electra

    2008-08-19

    Acoustic devices were employed to characterize variations in the mechanical properties (density and viscoelasticity) of liposomes composed of 1-oleoyl-2-palmitoyl- sn-glycero-3-phosphocholine (POPC) and cholesterol. Liposome properties were modified in three ways. In some experiments, the POPC/cholesterol ratio was varied prior to deposition on the device surface. Alternatively, the ratio was changed in situ via either insertion of cholesterol or removal of cholesterol with beta-cyclodextrin. This was done for liposomes adsorbed directly on the device surface and for liposomes attached via a biotin-terminated poly(ethylene glycol) linker. The acoustic measurements make use of two simultaneous time-resolved signals: one signal is related to the velocity of the acoustic wave, while the second is related to dissipation of acoustic energy. Together, they provide information not only about the mass (or density) of the probed medium but also about its viscoelastic properties. The cholesterol-induced increase in the surface density of the lipid bilayer was indeed observed in the acoustic data, but the resulting change in signal was larger than expected from the change in surface density. In addition, increasing the bilayer resistance to stretching was found to lead to a greater dissipation of the acoustic energy. The acoustic response is assessed in terms of the possible distortions of the liposomes and the known effects of cholesterol on the mechanical properties of the lipid bilayer that encloses the aqueous core of the liposome. To aid the interpretation of the acoustic response, it is discussed how the above changes in the lipid bilayer will affect the effective viscoelastic properties of the entire liposome/solvent film on the scale of the acoustic wavelength. It was found that the acoustic device is very sensitive to the mechanical properties of lipid vesicles; the response of the acoustic device is explained, and the basic underlying mechanisms of interaction are

  12. Ion spectral structures observed by the Van Allen Probes

    NASA Astrophysics Data System (ADS)

    Ferradas, C.; Zhang, J.; Spence, H. E.; Kistler, L. M.; Larsen, B.; Reeves, G. D.; Skoug, R. M.; Funsten, H. O.

    2015-12-01

    During the last decades several missions have recorded the presence of dynamic spectral features of energetic ions in the inner magnetosphere. Previous studies have reported single "nose-like" structures occurring alone and simultaneous nose-like structures (up to three). These ion structures are named after the characteristic shapes of energy bands or gaps in the energy-time spectrograms of in situ measured ion fluxes. They constitute the observational signatures of ion acceleration, transport, and loss in the global magnetosphere. The HOPE mass spectrometer onboard the Van Allen Probes measures energetic hydrogen, helium, and oxygen ions near the inner edge of the plasma sheet, where these ion structures are observed. We present a statistical study of nose-like structures, using 2-years measurements from the HOPE instrument. The results provide important details about the spatial distribution (dependence on geocentric distance), spectral features of the structures (differences among species), and geomagnetic conditions under which these structures occur.

  13. Cysteine Modification: Probing Channel Structure, Function and Conformational Change.

    PubMed

    Akabas, Myles H

    2015-01-01

    Cysteine substitution has been a powerful tool to investigate the structure and function of proteins. It has been particularly useful for studies of membrane proteins in their native environment, embedded in phospholipid membranes. Among the 20 amino acids, cysteine is uniquely reactive. This reactivity has motivated the synthesis of a wide array of sulfhydryl reactive chemicals. The commercially available array of sulfhydryl reactive reagents has allowed investigators to probe the local steric and electrostatic environment around engineered cysteines and to position fluorescent, paramagnetic and mass probes at specific sites within proteins and for distance measurements between pairs of sites. Probing the reactivity and accessibility of engineered cysteines has been extensively used in Substituted Cysteine Accessibility Method (SCAM) investigations of ion channels, membrane transporters and receptors. These studies have successfully identified the residues lining ion channels, agonist/antagonist and allosteric modulator binding sites, and regions whose conformation changes as proteins transition between different functional states. The thousands of cysteine-substitution mutants reported in the literature demonstrate that, in general, mutation to cysteine is well tolerated. This has allowed systematic studies of residues in transmembrane segments and in other parts of membrane proteins. Finally, by inserting pairs of cysteines and assaying their ability to form disulfide bonds, changes in proximity and mobility relationships between specific positions within a protein can be inferred. Thus, cysteine mutagenesis has provided a wealth of data on the structure of membrane proteins in their functional environment. This data can complement the structural insights obtained from the burgeoning number of crystal structures of detergent solubilized membrane proteins whose functional state is often uncertain. This article will review the use of cysteine mutagenesis to probe

  14. Hydration effects on membrane structure probed by single molecule orientations.

    PubMed

    Huckabay, Heath A; Dunn, Robert C

    2011-03-15

    Single molecule fluorescence measurements are used to probe the structural changes in glass-supported DPPC bilayers as a function of relative humidity (RH). Defocused polarized total internal reflection fluorescence microscopy is employed to determine the three-dimensional orientation of the fluorescent lipid analogue BODIPY-PC, doped into DPPC membranes in trace amounts. Supported DPPC bilayers formed using vesicle fusion and Langmuir-Blodgett/Langmuir-Schäfer (LB/LS) transfer are compared and show similar trends as a function of relative humidity. Population histograms of the emission dipole tilt angle reveal bimodal distributions as observed previously for BODIPY-PC in DPPC. These distributions are dominated by large populations of BODIPY-PC molecules with emission dipoles oriented parallel (≥81°) and normal (≤10°) to the membrane plane, with less than 25% oriented at intermediate tilts. As the relative humidity is increased from 13% to 95%, the population of molecules oriented normal to the surface decreases with a concomitant increase in those oriented parallel to the surface. The close agreement in trends observed for bilayers formed from vesicle fusion and LB/LS transfer supports the assignment of an equivalent surface pressure of 23 mN/m for bilayers formed from vesicle fusion. At each RH condition, a small population of BODIPY-PC dye molecules are laterally mobile in both bilayer preparations. This population exponentially increases with RH but never exceeds 6% of the total population. Interestingly, even under conditions where there is little lateral diffusion, fluctuations in the single molecule orientations can be observed which suggests there is appreciable freedom in the acyl chain region. Dynamic measurements of single molecule orientation changes, therefore, provide a new view into membrane properties at the single molecule level. PMID:21319764

  15. Structural dynamics inside a functionalized metal–organic framework probed by ultrafast 2D IR spectroscopy

    PubMed Central

    Nishida, Jun; Tamimi, Amr; Fei, Honghan; Pullen, Sonja; Ott, Sascha; Cohen, Seth M.; Fayer, Michael D.

    2014-01-01

    The structural elasticity of metal–organic frameworks (MOFs) is a key property for their functionality. Here, we show that 2D IR spectroscopy with pulse-shaping techniques can probe the ultrafast structural fluctuations of MOFs. 2D IR data, obtained from a vibrational probe attached to the linkers of UiO-66 MOF in low concentration, revealed that the structural fluctuations have time constants of 7 and 670 ps with no solvent. Filling the MOF pores with dimethylformamide (DMF) slows the structural fluctuations by reducing the ability of the MOF to undergo deformations, and the dynamics of the DMF molecules are also greatly restricted. Methodology advances were required to remove the severe light scattering caused by the macroscopic-sized MOF particles, eliminate interfering oscillatory components from the 2D IR data, and address Förster vibrational excitation transfer. PMID:25512539

  16. Genome-Wide Approaches for RNA Structure Probing.

    PubMed

    Silverman, Ian M; Berkowitz, Nathan D; Gosai, Sager J; Gregory, Brian D

    2016-01-01

    RNA molecules of all types fold into complex secondary and tertiary structures that are important for their function and regulation. Structural and catalytic RNAs such as ribosomal RNA (rRNA) and transfer RNA (tRNA) are central players in protein synthesis, and only function through their proper folding into intricate three-dimensional structures. Studies of messenger RNA (mRNA) regulation have also revealed that structural elements embedded within these RNA species are important for the proper regulation of their total level in the transcriptome. More recently, the discovery of microRNAs (miRNAs) and long non-coding RNAs (lncRNAs) has shed light on the importance of RNA structure to genome, transcriptome, and proteome regulation. Due to the relatively small number, high conservation, and importance of structural and catalytic RNAs to all life, much early work in RNA structure analysis mapped out a detailed view of these molecules. Computational and physical methods were used in concert with enzymatic and chemical structure probing to create high-resolution models of these fundamental biological molecules. However, the recent expansion in our knowledge of the importance of RNA structure to coding and regulatory RNAs has left the field in need of faster and scalable methods for high-throughput structural analysis. To address this, nuclease and chemical RNA structure probing methodologies have been adapted for genome-wide analysis. These methods have been deployed to globally characterize thousands of RNA structures in a single experiment. Here, we review these experimental methodologies for high-throughput RNA structure determination and discuss the insights gained from each approach. PMID:27256381

  17. The Structures & Properties of Carbon

    ERIC Educational Resources Information Center

    Castellini, Olivia M.; Lisensky, George C.; Ehrlich, Jennifer; Zenner, Greta M.; Crone, Wendy C.

    2006-01-01

    The four main forms of carbon--diamond, graphite, buckyballs, and carbon nanotubes (CNTs)--are an excellent vehicle for teaching fundamental principles of chemical bonding, material structure, and properties. Carbon atoms form a variety of structures that are intrinsically connected to the properties they exhibit. Educators can take advantage of…

  18. [Effect of radiation on erythrocyte membrane structure using fluorescent probes].

    PubMed

    Gorbenko, G P; Krupin, V D; Tovstiak, V V

    1994-01-01

    The effect of electrons with the energy of 5 MeV on the erythrocyte membrane structure was investigated using a fluorescent probe (4-dimethylaminostiryl)-1-methylpyridinium (DSM). Analysis of a competitive binding of DSM and ribonuclease with the erythrocyte ghosts has shown that irradiation causes an increase in the constant of protein association with membranes. It is suggested that a negative surface change increase with irradiation. PMID:7754561

  19. Probe-rotating atomic force microscopy for determining material properties

    SciTech Connect

    Lee, Sang Heon

    2014-03-15

    In this paper, we propose a probe-rotating atomic force microscope that enables scan in an arbitrary direction in the contact imaging mode, which is difficult to achieve using a conventional atomic force microscope owing to the orientation-dependent probe and the inability to rotate the probe head. To enable rotation of the probe about its vertical axis, we employed a compact and light probe head, the sensor of which is made of an optical disk drive pickup unit. Our proposed mechanical configuration, operating principle, and control system enables axial and lateral scan in various directions.

  20. Investigation of ferromagnetic properties of LSMO nanolayers by laser modulated reflectance probe

    NASA Astrophysics Data System (ADS)

    Pencheva, V.; Alipieva, E.; Penchev, S.; Nedkov, I.; Kutzarova, T.

    2010-10-01

    Modulated optical reflectance (MOR) technique is employed for defectoscopy and structural analysis of La2/3Sr1/3MnO3(LSMO) ferromagnetic nanolayers. The optical reflectance is affected by the change of free charge carrier density due to periodic photothermal modulation described by Drude effect. A dual wavelength setup of a pulsed heating laser and a probe CW laser, whereas the laser focal spots are precisely aligned on the scanned sample surface, provides electrical signal proportional to the variation of optical reflectance at each measurement point. The probe beam is modulated selectively by reflection without interference by the substrate properties or external fields. It is shown theoretically and experimentally that MOR signal is proportional to the thermal derivative of magnetoresistance. The described contactless measurement may find important application in investigation of a range of new magnetoelectric devices.

  1. Mission and instrumentation concept for the baryonic structure probe

    NASA Astrophysics Data System (ADS)

    Ebbets, Dennis; DeCino, James; Turner-Valle, Jennifer; Sembach, Kenneth

    2006-06-01

    There is a growing consensus that a substantial fraction of the matter in the universe, especially what we think of as normal baryonic matter, exists in a tenuous, hot filamentary intergalactic medium often referred to as the Cosmic Web. Improving our understanding of the web has been a high priority scientific goal in NASA's planning and roadmapping activities. NASA recently supported an Origins Probe study that explored the observable phenomenology of the web in detail and developed concepts for the instrumentation and mission. The Baryonic Structure Probe operates in the ultraviolet spectral region, using primarily O VI (λλ 1032, 1038 angstrom) and HI Ly α (λ 1216 angstrom) as tracers of the web. A productive investigation requires both moderate resolution (R = λ/Δλ ~ 30000) absorption line spectroscopy using faint background quasars as continuum sources, and imaging of the diffuse filaments in emission lines of the same ions. Spectroscopic sensitivity to quasars as faint as V ~ 19 will probe a large number of sight lines to derive physical diagnostics over the redshift range 0 < z < 1. Spectral imaging with a wide field of view and sensitivity to a redshift range 0 < z < 0.3 will map the filaments in a large volume of the universe after the web had evolved to near its modern structure. This paper summarizes the scientific goals, identifies the measurement requirements derived from them, and describes the instrument concepts and overall mission architecture developed by the BSP study team.

  2. Probing Electronic and Thermoelectric Properties of Single Molecule Junctions

    NASA Astrophysics Data System (ADS)

    Widawsky, Jonathan R.

    In an effort to further understand electronic and thermoelectric phenomenon at the nanometer scale, we have studied the transport properties of single molecule junctions. To carry out these transport measurements, we use the scanning tunneling microscope-break junction (STM-BJ) technique, which involves the repeated formation and breakage of a metal point contact in an environment of the target molecule. Using this technique, we are able to create gaps that can trap the molecules, allowing us to sequentially and reproducibly create a large number of junctions. By applying a small bias across the junction, we can measure its conductance and learn about the transport mechanisms at the nanoscale. The experimental work presented here directly probes the transmission properties of single molecules through the systematic measurement of junction conductance (at low and high bias) and thermopower. We present measurements on a variety of molecular families and study how conductance depends on the character of the linkage (metal-molecule bond) and the nature of the molecular backbone. We start by describing a novel way to construct single molecule junctions by covalently connecting the molecular backbone to the electrodes. This eliminates the use of linking substituents, and as a result, the junction conductance increases substantially. Then, we compare transport across silicon chains (silanes) and saturated carbon chains (alkanes) while keeping the linkers the same and find a stark difference in their electronic transport properties. We extend our studies of molecular junctions by looking at two additional aspects of quantum transport -- molecular thermopower and molecular current-voltage characteristics. Each of these additional parameters gives us further insight into transport properties at the nanoscale. Evaluating the junction thermopower allows us to determine the nature of charge carriers in the system and we demonstrate this by contrasting the measurement of amine

  3. Using Directional Emissivity as a Probe of Particle Microphysical Properties

    NASA Astrophysics Data System (ADS)

    Pitman, K. M.; Wolff, M. J.; Bandfield, J. L.; Clayton, G. C.

    2002-09-01

    Real surfaces are not expected to be diffuse emitters, thus observed emissivity values are a function of viewing geometry. This fact has strong implications for analyses of the MGS/TES emission phase function (EPF) sequences and the upcoming Mars Exploration Rover mini-TES dataset. As reviewed previously [1], in the absence of strong thermal gradients, directional emissivity may be obtained via a combination of reciprocity and Kirchhoff's Law. Here we focus on the potential utility of directional emissivity as a direct probe of surface particle microphysical properties. We explore the effects of particle size and composition on observed radiances in the TES spectral regime using a combination of multiple scattering radiative transfer and Mie scattering algorithms. Comparisons of these simulated spectra to TES EPF observations of typical surface units (e.g., high and low albedo regions) will also be made. This work is supported through NASA grant NAGS-9820 (MJW) and LSU Board of Regents (KMP). [1] Pitman, K.M., et al. (2001), AAS-DPS meeting # 33, # 36.01.

  4. Perspective: Probing 2-D magnetic structures in a 3-D world

    NASA Astrophysics Data System (ADS)

    Grutter, A. J.

    2016-03-01

    Magnetic interfaces have been identified as promising systems upon which to base next-generation spintronic devices. In these nearly two-dimensional systems, deviations from bulk electronic structure and competition between nearly degenerate magnetic ground states allow the stabilization of widely tunable emergent properties. However, ever smaller length scales pose new challenges which must be overcome in order to understand and control magnetic properties at the atomic level. Using recent examples in oxide heterostructures and topological insulators, we discuss how combining techniques such as neutron scattering, X-ray scattering, X-ray spectroscopy, and transmission electron microscopy enables the probing of magnetism on the Angstrom scale.

  5. The electronic structure of diodes probed under bias

    NASA Astrophysics Data System (ADS)

    Glans, Per-Anders; Guo, Jinghua; Park, Jeong; Gabor, Somorjai

    2009-03-01

    Chemists have known for decades that when metal nano-particles are affixed to a catalytically inactive oxide surface, the catalytic turnover rate of the array is more than 10 times that of a metal surface alone. However, the mechanism behind the effect is not clear. To understand the catalytic activity of the interface between the metal nano-structures and the oxide substrate, we have investigated the electronic structure of Pt and Pd doped diodes on a TiO2 substrate. The devices were put under bias during the measurements in an attempt to reproduce the potential differences found over the diode when used as a catalyst. This is challenging for electron based measuring techniques, but using photon-in, photon-out techniques we have successfully probed the electronic structure of Pt and Pd doped diodes under bias. The results from soft x-ray absorption and emission will be presented.

  6. The use of multiple probe molecules for the study of the acid-base properties of aluminium hydroxyfluoride having the hexagonal tungsten bronze structure: FTIR and [36Cl] radiotracer studies.

    PubMed

    Dambournet, Damien; Leclerc, Hervé; Vimont, Alexandre; Lavalley, Jean-Claude; Nickkho-Amiry, Mahmood; Daturi, Marco; Winfield, John M

    2009-03-01

    The combination of several probe molecules has enabled the construction of a detailed picture of the surface of aluminium hydroxyl fluoride, AlF(2.6)(OH)(0.4), which has the hexagonal tungsten bronze (HTB) structure. Using pyridine as a probe leads to features at 1628 cm(-1), ascribed to very strong Lewis acid sites, and at 1620-1623 cm(-1), which is the result of several different types of Lewis sites. This heterogeneity is indicated also from CO adsorption at 100 K; the presence of five different types of Lewis site is deduced and is suggested to arise from the hydroxylated environment. Brønsted acid sites of medium strength are indicated by adsorption of lutidine and CO. Adsorption of lutidine occurs at OH groups, which are exposed at the surface and CO reveals that these OH groups have a single environment that can be correlated with their specific location inside the bulk, assuming that the surface OH group may reflect the bulk OH periodicity. A correlation between the data obtained from CO and pyridine molecules has been established using co-adsorption experiments, which also highlight the inductive effect produced by pyridine. Adsorption of the strong Brønsted acid, anhydrous hydrogen chloride, detected by monitoring the beta(-) emission of [(36)Cl]-HCl at the surface, indicates that surface hydroxyl groups can behave also as a Brønsted base and that H(2)O-HCl interactions, either within the hexagonal channels or at the surface are possible. Finally, the formation of strongly bound H(36)Cl as a result of the room temperature dehydrochlorination of [(36)Cl]-labelled tert-butyl chloride provides additional evidence that HTB-AlF(2.6)(OH)(0.4) can behave as a Lewis acid. PMID:19224038

  7. Probing the structure of the cold dark matter halo using ancient mica

    SciTech Connect

    Baltz, E.A.; Westphal, A.J.; Snowden-Ifft, D.P.

    1999-01-01

    Mica can store (for {gt}1thinspGyr) etchable tracks caused by atoms recoiling from WIMPs. Ancient mica is a directional detector despite the complex motions it makes with respect to the WIMP {open_quotes}wind.{close_quotes} We can exploit the properties of directionality and long integration time to probe for structure in the dark matter halo of our galaxy. We compute a sample of possible signals in mica for a plausible model of halo structure. {copyright} {ital 1998} {ital The American Physical Society}

  8. Deep Interior: Probing the Structure of Primitive Bodies

    NASA Astrophysics Data System (ADS)

    Asphaug, Erik; Scheeres, Daniel; Safaeinili, Ali

    Deep Interior is a mature Discovery-class mission concept focused on probing the geophysical behavior of primitive bodies, from the mechanics of their exterior materials to the structures of their interiors. Its theme is to discover how small bodies work - to learn the natural origin and evolution of asteroids, comets and other primitive bodies through radar reflection tomography and through detailed observations of the local and global effects of cratering. Learning the structure and mechanical response of asteroids and comets is also a precursor to resource utilization and hazardous asteroid mitigation. Overall the mission is aligned with NASA strategic sub-goal 3C, to advance scientific knowledge of the origin and history of the solar system ... and the hazards and resources present as humans explore space. Deep Interior deploys no complex landers or sub-spacecraft; the scientific instruments are a radar and a camera. A blast cratering experiments triggered by grenades leads to a low cost seismological investigation which complements the radar investigation. A desired addition is an imaging spectrometer. The science instruments are high heritage, as are the navigation techniques for orbiting and station-keeping. The mission conducts the following investigations at one or more asteroids: Radar Reflection Tomography (RRT). The first science phase is to operate a penetrating radar during each several-month rendezvous, deployed in reflection mode in the manner of ongoing radar investigations underway by Mars Express, Mars Reconnaissance Orbiter, and Kaguya. The RRT technique (Safaeinili et al., MAPS 2002) is analogous to performing a "CAT scan" from orbit: closely sampled radar echoes are processed to yield volumetric maps of mechanical and compositional boundaries, and to measure interior dielectric properties. Deep Interior utilizes a polar orbit (or station keeping) while the asteroid spins underneath; the result is to "peel the apple" with thousands of unique

  9. Probing the nucleon structure with SIDIS at Jefferson Lab

    SciTech Connect

    Pereira, Sergio Anafalos

    2013-01-01

    In recent years, measurements of azimuthal moments of polarized hadronic cross sections in hard processes have emerged as a powerful tool to probe nucleon structure. Many experiments worldwide are currently trying to pin down various effects related to nucleon structure through Semi-Inclusive Deep-Inelastic Scattering (SIDIS). Azimuthal distributions of final-state particles in semi-inclusive deep inelastic scattering, in particular, are sensitive to the orbital motion of quarks and play an important role in the study of Transverse Momentum Dependent parton distribution functions (TMDs) of quarks in the nucleon. The CLAS spectrometer, installed in Hall-B at Jefferson Lab, has collected semi-inclusive data using the CEBAF 6 GeV polarized electron beam on polarized solid NH{sub 3} and ND{sub 3} targets. An overview of these measurements is presented.

  10. RNAex: an RNA secondary structure prediction server enhanced by high-throughput structure-probing data.

    PubMed

    Wu, Yang; Qu, Rihao; Huang, Yiming; Shi, Binbin; Liu, Mengrong; Li, Yang; Lu, Zhi John

    2016-07-01

    Several high-throughput technologies have been developed to probe RNA base pairs and loops at the transcriptome level in multiple species. However, to obtain the final RNA secondary structure, extensive effort and considerable expertise is required to statistically process the probing data and combine them with free energy models. Therefore, we developed an RNA secondary structure prediction server that is enhanced by experimental data (RNAex). RNAex is a web interface that enables non-specialists to easily access cutting-edge structure-probing data and predict RNA secondary structures enhanced by in vivo and in vitro data. RNAex annotates the RNA editing, RNA modification and SNP sites on the predicted structures. It provides four structure-folding methods, restrained MaxExpect, SeqFold, RNAstructure (Fold) and RNAfold that can be selected by the user. The performance of these four folding methods has been verified by previous publications on known structures. We re-mapped the raw sequencing data of the probing experiments to the whole genome for each species. RNAex thus enables users to predict secondary structures for both known and novel RNA transcripts in human, mouse, yeast and Arabidopsis The RNAex web server is available at http://RNAex.ncrnalab.org/. PMID:27137891

  11. RNAex: an RNA secondary structure prediction server enhanced by high-throughput structure-probing data

    PubMed Central

    Wu, Yang; Qu, Rihao; Huang, Yiming; Shi, Binbin; Liu, Mengrong; Li, Yang; Lu, Zhi John

    2016-01-01

    Several high-throughput technologies have been developed to probe RNA base pairs and loops at the transcriptome level in multiple species. However, to obtain the final RNA secondary structure, extensive effort and considerable expertise is required to statistically process the probing data and combine them with free energy models. Therefore, we developed an RNA secondary structure prediction server that is enhanced by experimental data (RNAex). RNAex is a web interface that enables non-specialists to easily access cutting-edge structure-probing data and predict RNA secondary structures enhanced by in vivo and in vitro data. RNAex annotates the RNA editing, RNA modification and SNP sites on the predicted structures. It provides four structure-folding methods, restrained MaxExpect, SeqFold, RNAstructure (Fold) and RNAfold that can be selected by the user. The performance of these four folding methods has been verified by previous publications on known structures. We re-mapped the raw sequencing data of the probing experiments to the whole genome for each species. RNAex thus enables users to predict secondary structures for both known and novel RNA transcripts in human, mouse, yeast and Arabidopsis. The RNAex web server is available at http://RNAex.ncrnalab.org/. PMID:27137891

  12. An advanced AFM sensor: its profile accuracy and low probe wear property for high aspect ratio patterns

    NASA Astrophysics Data System (ADS)

    Watanabe, Masahiro; Baba, Shuichi; Nakata, Toshihiko; Kurenuma, Toru; Kunitomo, Yuichi; Edamura, Manabu

    2007-03-01

    Design rule shrinkage and wider adoption of new device structures such as STI, copper damascene interconnects, and deep trench structures have made the need for in-line process monitoring of step heights and profiles of device structures more urgent. To monitor active device patterns, as opposed to test patterns as in OCD, AFM is the only non-destructive 3D monitoring tool. The barriers to using AFM in-line monitoring are its slow throughput and the accuracy degradation associated with probe tip wear and spike noise caused by unwanted oscillation on the steep slopes of high-aspect-ratio patterns. Our proprietary AFM scanning method, StepIn TM mode, is the method best suited to measuring high-aspect-ratio pattern profiles. Because the probe is not dragged on the sample surface as in conventional AFM, the profile trace fidelity across steep slopes is excellent. Because the probe does not oscillate and hit the sample at a high frequency, as in AC scanning mode, this mode is free from unwanted spurious noises on steep sample slopes and incurs extremely little probe tip wear. To take full advantage of the above properties, we have developed an AFM sensor that is optimized for in-line use and produces accurate profile data at high speeds and incurs little probe tip wear. The control scheme we have developed for the AFM sensor, which we call "Advanced StepIn TM", elaborately analyses the contact force signal, enabling efficient probe tip scanning and a low and stable contact force. With a developed AFM sensor that realizes this concept, we conducted an intensive evaluation on the effect of low and stable contact force scan. Probes with HDC (high density carbon) tips were used for the evaluation. The experiment proves that low contact force enhances the measured profile fidelity by preventing probe tip slip on steep slopes. Dynamics simulation of these phenomena was also conducted, and its results agreed well with the experimental results. The low contact force scan also

  13. Investigation of material property influenced stoichiometric deviations as evidenced during UV laser-assisted atom probe tomography in fluorite oxides

    NASA Astrophysics Data System (ADS)

    Valderrama, Billy; Henderson, Hunter B.; Yablinsky, Clarissa A.; Gan, Jian; Allen, Todd R.; Manuel, Michele V.

    2015-09-01

    Oxide materials are used in numerous applications such as thermal barrier coatings, nuclear fuels, and electrical conductors and sensors, all applications where nanometer-scale stoichiometric changes can affect functional properties. Atom probe tomography can be used to characterize the precise chemical distribution of individual species and spatially quantify the oxygen to metal ratio at the nanometer scale. However, atom probe analysis of oxides can be accompanied by measurement artifacts caused by laser-material interactions. In this investigation, two technologically relevant oxide materials with the same crystal structure and an anion to cation ratio of 2.00, pure cerium oxide (CeO2) and uranium oxide (UO2) are studied. It was determined that electronic structure, optical properties, heat transfer properties, and oxide stability strongly affect their evaporation behavior, thus altering their measured stoichiometry, with thermal conductance and thermodynamic stability being strong factors.

  14. Probing the Evolution of the Shell Structures in Exotic Nuclei

    SciTech Connect

    De Angelis, Giacomo

    2008-11-11

    Magic numbers are a key feature in finite Fermion systems since they are strongly related to the underlying mean field. The size of the shell gaps and their evolution far from stability can be linked to the shape and symmetry of the nuclear mean field. Moreover the study of nuclei with large neutron/proton ratio allow to probe the density dependence of the effective interaction. Changes of the nuclear density and size in nuclei with increasing N/Z ratios are expected to lead to different nuclear symmetries and excitations. In this contribution I will discuss some selected examples which show the big potential of stable beams and of binary reactions for the study of the properties of the neutron-rich nuclear many body systems.

  15. Multispectral Phloem-Mobile Probes: Properties and Applications1

    PubMed Central

    Knoblauch, Michael; Vendrell, Marc; de Leau, Erica; Paterlini, Andrea; Knox, Kirsten; Ross-Elliot, Tim; Reinders, Anke; Brockman, Stephen A.; Ward, John; Oparka, Karl

    2015-01-01

    Using Arabidopsis (Arabidopsis thaliana) seedlings, we identified a range of small fluorescent probes that entered the translocation stream and were unloaded at the root tip. These probes had absorbance/emission maxima ranging from 367/454 to 546/576 nm and represent a versatile toolbox for studying phloem transport. Of the probes that we tested, naturally occurring fluorescent coumarin glucosides (esculin and fraxin) were phloem loaded and transported in oocytes by the sucrose transporter, AtSUC2. Arabidopsis plants in which AtSUC2 was replaced with barley (Hordeum vulgare) sucrose transporter (HvSUT1), which does not transport esculin in oocytes, failed to load esculin into the phloem. In wild-type plants, the fluorescence of esculin decayed to background levels about 2 h after phloem unloading, making it a suitable tracer for pulse-labeling studies of phloem transport. We identified additional probes, such as carboxytetraethylrhodamine, a red fluorescent probe that, unlike esculin, was stable for several hours after phloem unloading and could be used to study phloem transport in Arabidopsis lines expressing green fluorescent protein. PMID:25653316

  16. Multispectral phloem-mobile probes: properties and applications.

    PubMed

    Knoblauch, Michael; Vendrell, Marc; de Leau, Erica; Paterlini, Andrea; Knox, Kirsten; Ross-Elliot, Tim; Reinders, Anke; Brockman, Stephen A; Ward, John; Oparka, Karl

    2015-04-01

    Using Arabidopsis (Arabidopsis thaliana) seedlings, we identified a range of small fluorescent probes that entered the translocation stream and were unloaded at the root tip. These probes had absorbance/emission maxima ranging from 367/454 to 546/576 nm and represent a versatile toolbox for studying phloem transport. Of the probes that we tested, naturally occurring fluorescent coumarin glucosides (esculin and fraxin) were phloem loaded and transported in oocytes by the sucrose transporter, AtSUC2. Arabidopsis plants in which AtSUC2 was replaced with barley (Hordeum vulgare) sucrose transporter (HvSUT1), which does not transport esculin in oocytes, failed to load esculin into the phloem. In wild-type plants, the fluorescence of esculin decayed to background levels about 2 h after phloem unloading, making it a suitable tracer for pulse-labeling studies of phloem transport. We identified additional probes, such as carboxytetraethylrhodamine, a red fluorescent probe that, unlike esculin, was stable for several hours after phloem unloading and could be used to study phloem transport in Arabidopsis lines expressing green fluorescent protein. PMID:25653316

  17. Probing Mechanical Properties of Rock with InSAR

    NASA Astrophysics Data System (ADS)

    Jónsson, S.

    2012-04-01

    Interferometric Synthetic Aperture Radar (InSAR) observations from satellites have revolutionized our crustal deformation measurement capabilities with its high spatial resolution, global coverage, and low cost. The high spatial resolution (typically 5-20 m) allows us to map many small-scale surface deformation phenomena in great detail. These include surface faulting, fissuring, fault creep, and other strain localization phenomena. Another advantage of the small-scale deformation mapping is that it can provide information about mechanical properties of near-surface rocks. Several studies have already been published on using InSAR to probe material properties of rock. Strain localizations at fault zones have been observed in co-seismic deformation fields near to large earthquakes and interpreted as expressions of weak fault zone materials that are a factor of two more compliant than the surrounding unbroken rock [Fialko et al., 2002]. Peltzer et al. [1999] argued that asymmetries in coseismic deformation patterns observed by InSAR showed evidence for non-linear elasticity, i.e. that the elastic moduli of shallow crustal material are different for compression and extension, due to small-scale cracks in the medium. This interpretation was later disputed by Funning et al. [2007], who provided an alternative explanation for observed deformation pattern based on along-strike variations in fault geometry and slip. In addition, observations and modeling of poro-elastic rebound after earthquakes have provided information about the difference in undrained and drained Poisson's ratio values of the near-surface rocks [Peltzer et al., 1996; Jónsson et al., 2003]. More recently we have used InSAR observations to put bounds on the tensional bulk strength of surface rocks. A dyke intrusion that took place in western Saudi Arabia in 2009 caused many moderate-sized earthquakes and extensive surface faulting. InSAR data of the area show that large-scale (40 km x 40 km) east

  18. Probing topological protection using a designer surface plasmon structure.

    PubMed

    Gao, Fei; Gao, Zhen; Shi, Xihang; Yang, Zhaoju; Lin, Xiao; Xu, Hongyi; Joannopoulos, John D; Soljačić, Marin; Chen, Hongsheng; Lu, Ling; Chong, Yidong; Zhang, Baile

    2016-01-01

    Topological photonic states, inspired by robust chiral edge states in topological insulators, have recently been demonstrated in a few photonic systems, including an array of coupled on-chip ring resonators at communication wavelengths. However, the intrinsic difference between electrons and photons determines that the 'topological protection' in time-reversal-invariant photonic systems does not share the same robustness as its counterpart in electronic topological insulators. Here in a designer surface plasmon platform consisting of tunable metallic sub-wavelength structures, we construct photonic topological edge states and probe their robustness against a variety of defect classes, including some common time-reversal-invariant photonic defects that can break the topological protection, but do not exist in electronic topological insulators. This is also an experimental realization of anomalous Floquet topological edge states, whose topological phase cannot be predicted by the usual Chern number topological invariants. PMID:27197877

  19. Growth of Cosmic Structure: Probing Dark Energy Beyond Expansion

    SciTech Connect

    Huterer, Dragan; Kirkby, David; Bean, Rachel; Connolly, Andrew; Dawson, Kyle; Dodelson, Scott; Evrard, August; Jain, Bhuvnesh; Jarvis, Michael; Linder, Eric; Mandelbaum, Rachel; May, Morgan; Raccanelli, Alvise; Reid, Beth; Rozo, Eduardo; Schmidt, Fabian; Sehgal, Neelima; Slosar, Anze; Van Engelen, Alex; Wu, Hao-Yi; Zhao, Gongbo

    2014-03-15

    The quantity and quality of cosmic structure observations have greatly accelerated in recent years, and further leaps forward will be facilitated by imminent projects. These will enable us to map the evolution of dark and baryonic matter density fluctuations over cosmic history. The way that these fluctuations vary over space and time is sensitive to several pieces of fundamental physics: the primordial perturbations generated by GUT-scale physics; neutrino masses and interactions; the nature of dark matter and dark energy. We focus on the last of these here: the ways that combining probes of growth with those of the cosmic expansion such as distance-redshift relations will pin down the mechanism driving the acceleration of the Universe.

  20. Probing topological protection using a designer surface plasmon structure

    NASA Astrophysics Data System (ADS)

    Gao, Fei; Gao, Zhen; Shi, Xihang; Yang, Zhaoju; Lin, Xiao; Xu, Hongyi; Joannopoulos, John D.; Soljačić, Marin; Chen, Hongsheng; Lu, Ling; Chong, Yidong; Zhang, Baile

    2016-05-01

    Topological photonic states, inspired by robust chiral edge states in topological insulators, have recently been demonstrated in a few photonic systems, including an array of coupled on-chip ring resonators at communication wavelengths. However, the intrinsic difference between electrons and photons determines that the `topological protection' in time-reversal-invariant photonic systems does not share the same robustness as its counterpart in electronic topological insulators. Here in a designer surface plasmon platform consisting of tunable metallic sub-wavelength structures, we construct photonic topological edge states and probe their robustness against a variety of defect classes, including some common time-reversal-invariant photonic defects that can break the topological protection, but do not exist in electronic topological insulators. This is also an experimental realization of anomalous Floquet topological edge states, whose topological phase cannot be predicted by the usual Chern number topological invariants.

  1. Probing topological protection using a designer surface plasmon structure

    PubMed Central

    Gao, Fei; Gao, Zhen; Shi, Xihang; Yang, Zhaoju; Lin, Xiao; Xu, Hongyi; Joannopoulos, John D.; Soljačić, Marin; Chen, Hongsheng; Lu, Ling; Chong, Yidong; Zhang, Baile

    2016-01-01

    Topological photonic states, inspired by robust chiral edge states in topological insulators, have recently been demonstrated in a few photonic systems, including an array of coupled on-chip ring resonators at communication wavelengths. However, the intrinsic difference between electrons and photons determines that the ‘topological protection' in time-reversal-invariant photonic systems does not share the same robustness as its counterpart in electronic topological insulators. Here in a designer surface plasmon platform consisting of tunable metallic sub-wavelength structures, we construct photonic topological edge states and probe their robustness against a variety of defect classes, including some common time-reversal-invariant photonic defects that can break the topological protection, but do not exist in electronic topological insulators. This is also an experimental realization of anomalous Floquet topological edge states, whose topological phase cannot be predicted by the usual Chern number topological invariants. PMID:27197877

  2. Growth of Cosmic Structure: Probing Dark Energy Beyond Expansion

    DOE PAGESBeta

    Huterer, Dragan; Kirkby, David; Bean, Rachel; Connolly, Andrew; Dawson, Kyle; Dodelson, Scott; Evrard, August; Jain, Bhuvnesh; Jarvis, Michael; Linder, Eric; et al

    2014-03-15

    The quantity and quality of cosmic structure observations have greatly accelerated in recent years, and further leaps forward will be facilitated by imminent projects. These will enable us to map the evolution of dark and baryonic matter density fluctuations over cosmic history. The way that these fluctuations vary over space and time is sensitive to several pieces of fundamental physics: the primordial perturbations generated by GUT-scale physics; neutrino masses and interactions; the nature of dark matter and dark energy. We focus on the last of these here: the ways that combining probes of growth with those of the cosmic expansionmore » such as distance-redshift relations will pin down the mechanism driving the acceleration of the Universe.« less

  3. Nuclear structure studies with medium energy probes. [Northwestern Univ

    SciTech Connect

    Seth, Kamal K.

    1980-01-01

    Progress in the continuing program of experimental research in nuclear structure with medium-energy probes during the year 1979-1980 is reviewed, and the research activities planned for the year 1980-1981 are discussed. In the study of pion-induced reactions emphasis is placed on investigation of isovector characteristics of nuclear excitations and on double charge exchange reactions. Pion production studies form the major part of the program of experiments with proton beams of 400 to 800 MeV at LAMPF. Current emphasis is on the bearing of these investigations on di-baryon existence. The study of high-spin states and magnetic scattering constitute the main goals of the electron scattering program at Bates. Representative results are presented; completed work is reported in the usual publications. (RWR)

  4. Probing topological protection using a designer surface plasmon structure

    DOE PAGESBeta

    Gao, Fei; Gao, Zhen; Shi, Xihang; Yang, Zhaoju; Lin, Xiao; Xu, Hongyi; Joannopoulos, John D.; Soljacic, Marin; Chen, Hongsheng; Lu, Ling; et al

    2016-05-20

    Topological photonic states, inspired by robust chiral edge states in topological insulators, have recently been demonstrated in a few photonic systems, including an array of coupled on-chip ring resonators at communication wavelengths. However, the intrinsic difference between electrons and photons determines that the 'topological protection' in time-reversal-invariant photonic systems does not share the same robustness as its counterpart in electronic topological insulators. Here in a designer surface plasmon platform consisting of tunable metallic sub-wavelength structures, we construct photonic topological edge states and probe their robustness against a variety of defect classes, including some common time-reversal-invariant photonic defects that can breakmore » the topological protection, but do not exist in electronic topological insulators. Furthermore, this is also an experimental realization of anomalous Floquet topological edge states, whose topological phase cannot be predicted by the usual Chern number topological invariants.« less

  5. Semiconductor alloys - Structural property engineering

    NASA Technical Reports Server (NTRS)

    Sher, A.; Van Schilfgaarde, M.; Berding, M.; Chen, A.-B.

    1987-01-01

    Semiconductor alloys have been used for years to tune band gaps and average bond lengths to specific applications. Other selection criteria for alloy composition, and a growth technique designed to modify their structural properties, are presently considered. The alloys Zn(1-y)Cd(y)Te and CdSe(y)Te(1-y) are treated as examples.

  6. Lead-catalyzed cleavage of ribonuclease P RNA as a probe for integrity of tertiary structure.

    PubMed Central

    Zito, K; Hüttenhofer, A; Pace, N R

    1993-01-01

    Pb(2+)-catalyzed cleavage of RNA has been shown previously to be a useful probe for tertiary structure. In the present study, Pb2+ cleavage patterns were identified for ribonuclease P RNAs from three phylogenetically disparate organisms, Escherichia coli, Chromatium vinosum, Bacillus subtilis, and for E. coli RNase P RNAs that had been altered by deletions. Each of the native RNAs undergoes cleavage at several sites in the core structure that is common to all bacterial RNase P RNAs. All the cleavages occur in non-paired regions of the secondary structure models of the RNAs, in regions likely to be involved in tertiary interactions. Two cleavage sites occur at homologous positions in all the native RNAs, regardless of sequence variation, suggesting common tertiary structural features. The Pb2+ cleavage sites in four deletion mutants of E. coli RNase P RNA differed from the native pattern, indicating alterations in the tertiary structures of the mutant RNAs. This conclusion is consistent with previously characterized properties of the mutant RNAs. The Pb2+ cleavage assay is thus a useful probe to reveal alteration of tertiary structure in RNase P RNA. Images PMID:7507234

  7. Nanoscale resolved infrared probing of crystal structure and of plasmon-phonon coupling.

    PubMed

    Huber, A; Ocelic, N; Taubner, T; Hillenbrand, R

    2006-04-01

    We show that slight variations of a crystal lattice cause significant spectral modifications of phonon-polariton resonant near-field interaction between polar semiconductor crystals and a scanning metal tip. Exploiting the effect for near-field imaging a SiC polytype boundary, we establish infrared mapping of crystal structure and crystal defects at 20 nm spatial resolution (lambda/500). By spectroscopic probing of doped SiC polytypes, we find that phonon-polariton resonant near-field interaction is also sensitive to electronic properties due to plasmon-phonon coupling in the crystals. PMID:16608282

  8. Probing the Influence of Stereoelectronic Effects on the Biophysical Properties of Oligonucleotides: Comprehensive Analysis of the RNA Affinity, Nuclease Resistance, and Crystal Structure of Ten 2'-O-Ribonucleic Acid Modifications

    SciTech Connect

    Egli, Martin; Minasov, George; Tereshko, Valentina; Pallan, Pradeep S.; Teplova, Marianna; Inamati, Gopal B.; Lesnik, Elena A.; Owens, Steve R.; Ross, Bruce S.; Prakash, Thazha P.; Manoharan, Muthiah

    2010-03-05

    The syntheses of 10 new RNA 2'-O-modifications, their incorporation into oligonucleotides, and an evaluation of their properties such as RNA affinity and nuclease resistance relevant to antisense activity are presented. All modifications combined with the natural phosphate backbone lead to significant gains in terms of the stability of hybridization to RNA relative to the first-generation DNA phosphorothioates (PS-DNA). The nuclease resistance afforded in particular by the 2'-O-modifications carrying a positive charge surpasses that of PS-DNA. However, small electronegative 2'-O-substituents, while enhancing the RNA affinity, do not sufficiently protect against degradation by nucleases. Similarly, oligonucleotides containing 3'-terminal residues modified with the relatively large 2'-O-[2-(benzyloxy)ethyl] substituent are rapidly degraded by exonucleases, proving wrong the assumption that steric bulk will generally improve protection against nuclease digestion. To analyze the factors that contribute to the enhanced RNA affinity and nuclease resistance we determined crystal structures of self-complementary A-form DNA decamer duplexes containing single 2'-O-modified thymidines per strand. Conformational preorganization of substituents, favorable electrostatic interactions between substituent and sugar-phosphate backbone, and a stable water structure in the vicinity of the 2'-O-modification all appear to contribute to the improved RNA affinity. Close association of positively charged substituents and phosphate groups was observed in the structures with modifications that protect most effectively against nucleases. The promising properties exhibited by some of the analyzed 2'-O-modifications may warrant a more detailed evaluation of their potential for in vivo antisense applications. Chemical modification of RNA can also be expected to significantly improve the efficacy of small interfering RNAs (siRNA). Therefore, the 2'-O-modifications introduced here may benefit the

  9. Monitoring membrane properties and apoptosis using membrane probes of the 3-hydroxyflavone family.

    PubMed

    Darwich, Zeinab; Klymchenko, Andrey S; Mély, Yves

    2014-01-01

    Environment-sensitive fluorescent membrane probes are attractive tools for investigating the membrane properties and their changes under perturbing conditions. Membrane probes of the 3-hydroxyflavone family are of particular interest due to their excited-state intramolecular proton transfer (ESIPT) reaction, which confers a dual emission highly sensitive to the polarity and hydration of the environment. In the present work, we will describe the protocols used with these probes in order to monitor the physicochemical properties of lipid membrane models and cell plasma membranes and to detect apoptosis. PMID:24108636

  10. Probing Structural and Electronic Dynamics with Ultrafast Electron Microscopy

    SciTech Connect

    Plemmons, DA; Suri, PK; Flannigan, DJ

    2015-05-12

    In this Perspective, we provide an overview,of the field of ultrafast electron microscopy (UEM). We begin by briefly discussing the emergence of methods for probing ultrafast structural dynamics and the information that can be obtained. Distinctions are drawn between the two main types a probes for femtosecond (fs) dynamics fast electrons and X-ray photons and emphasis is placed on hour the nature of charged particles is exploited in ultrafast electron-based' experiments:. Following this, we describe the versatility enabled by the ease with which electron trajectories and velocities can be manipulated with transmission electron microscopy (TEM): hardware configurations, and we emphasize how this is translated to the ability to measure scattering intensities in real, reciprocal, and energy space from presurveyed and selected rianoscale volumes. Owing to decades of ongoing research and development into TEM instrumentation combined with advances in specimen holder technology, comprehensive experiments can be conducted on a wide range of materials in various phases via in situ methods. Next, we describe the basic operating concepts, of UEM, and we emphasize that its development has led to extension of several of the formidable capabilities of TEM into the fs domain, dins increasing the accessible temporal parameter spade by several orders of magnitude. We then divide UEM studies into those conducted in real (imaging), reciprocal (diffraction), and energy (spectroscopy) spate. We begin each of these sections by providing a brief description of the basic operating principles and the types of information that can be gathered followed by descriptions of how these approaches are applied in UM, the type of specimen parameter space that can be probed, and an example of the types of dynamics that can be resolved. We conclude with an Outlook section, wherein we share our perspective on some future directions of the field pertaining to continued instrument development and

  11. Probing Xist RNA Structure in Cells Using Targeted Structure-Seq

    PubMed Central

    Rutenberg-Schoenberg, Michael; Simon, Matthew D.

    2015-01-01

    The long non-coding RNA (lncRNA) Xist is a master regulator of X-chromosome inactivation in mammalian cells. Models for how Xist and other lncRNAs function depend on thermodynamically stable secondary and higher-order structures that RNAs can form in the context of a cell. Probing accessible RNA bases can provide data to build models of RNA conformation that provide insight into RNA function, molecular evolution, and modularity. To study the structure of Xist in cells, we built upon recent advances in RNA secondary structure mapping and modeling to develop Targeted Structure-Seq, which combines chemical probing of RNA structure in cells with target-specific massively parallel sequencing. By enriching for signals from the RNA of interest, Targeted Structure-Seq achieves high coverage of the target RNA with relatively few sequencing reads, thus providing a targeted and scalable approach to analyze RNA conformation in cells. We use this approach to probe the full-length Xist lncRNA to develop new models for functional elements within Xist, including the repeat A element in the 5’-end of Xist. This analysis also identified new structural elements in Xist that are evolutionarily conserved, including a new element proximal to the C repeats that is important for Xist function. PMID:26646615

  12. Screening properties of graphene layers studied by Kelvin Probe Force Microscopy and Landau Level Spectroscopy

    NASA Astrophysics Data System (ADS)

    Vetick, John; Lu, Chih-Pin; Altvater, Michael; Duan, Junxi; Li, Guohong; Andrei, Eva Y.

    2015-03-01

    Graphene is one of the best conductors known, but due to its two dimensional structure and the need to support it on insulating substrates, its electronic properties are often masked by substrate-induced random potential fluctuations. In order to realize graphene's full potential for electronic application it is therefore important to understand its screening properties and to find ways to minimize substrate invasiveness. We employed Kelvin Probe Force microscopy (KPFM) to investigate the screening properties of CVD grown graphene crystals as a function of layer number and substrate material using a gated device geometry. The KPFM study was complemented by low temperature scanning tunneling microscopy and Landau level spectroscopy in similar samples and device configurations. Measurements were carried out on single layer, bilayer, trilayer and twisted bilayer samples deposited on SiO2 and hBN substrates. Our findings show that twisted graphene layers provide superior screening of charged impurities and random potentials while at the same time preserving the unique electronic band structure of single layer graphene. Work Supported by DOE-FG02-99ER45742 and NSF DMR 1207108.

  13. Properties of a hairpin probe in a strongly magnetized plasma

    NASA Astrophysics Data System (ADS)

    Karkari, S. K.; Gogna, G. S.; Boilson, D.

    2009-10-01

    Understanding of the physics in the filter field region of a neutral beam injection source for ITER under development is very important, as this region is where the negative ions are generated and extracted. For accurately determining electron densities in this complex plasma, a floating hairpin probe is applied on the KAMABOKO III ion source, at the MANTIS test bed at CEA Cadarache. The technique is based on measuring the probes resonance frequency (few GHz) shift in plasma with respect to that obtained in vacuum. The resonance frequency is proportional to the permittivity of the medium filling the space between the wires of the hairpin resonator. Using this technique we obtained the electron density variation as function of discharge power and on the external grid bias in front of the plasma grid.

  14. High harmonics from solids probe Angstrom scale structure

    NASA Astrophysics Data System (ADS)

    You, Yong Sing; Reis, David; Ghimire, Shambhu

    2016-05-01

    The basic microscopic mechanism for the high harmonics generation (HHG) in isolated atoms and molecules has been understood in the 90's. Since then the gas harmonics have been utilized widely in ultrafast x-ray science, from attosecond pulse generation to imaging molecular orbitals of the target molecule. In contrast, the solid-state harmonic generation mechanism is currently being investigated following the recent experimental discovery in zinc oxide crystal. In particular, because of the fundamental differences, attributed to the high density and periodicity of the crystal, it was not clear if the solid-state harmonics could be used to reveal bonding structures in crystals. Here we report our experimental results on generation of XUV harmonics in single crystal MgO subjected to the field strengths on the order of 1V/Å without damage. High harmonics in MgO show strong crystal orientation dependence as well as a strong laser ellipticity dependence. By exploiting these unique characteristics, we demonstrate that XUV harmonics from bulk crystals can probe Angstrom scale electronic structure of the crystal.

  15. Multi-Array Probing of Lower Mantle Structure

    NASA Astrophysics Data System (ADS)

    Stipcevic, J.; Tkalcic, H.; Kennett, B. L. N.

    2014-12-01

    Array processing of seismic waveforms from many sensors allows the enhancement of coherent signals and the suppression of incoherent "noise". Time correction of a waveform enhances weak seismic phases and provides constraints on the azimuth and inclination of the incoming energy. Furthermore, signal amplification allows the use of higher frequencies, which effectively increases the imaging resolution. Although array stacking is effective in amplifying weak seismic signals, its inherent weakness lies in the assumption of the instantaneous plane wave arriving at the array. This assumption limits the size of the array (short aperture) to insure the signal coherence, which in turn limits the size of the area within the Earth's interior that we can probe. Small array size also means that we cannot use energy scattered off a great circle path. In this study we address the above-mentioned issues by installing new and combing the existing several short-aperture arrays in Australia. By exploiting these multiple short aperture arrays we can pinpoint the source of scattered energy to map detailed patterns of heterogeneity in the lower mantle. The concept of multiple arrays allows us to illuminate specific point in the Earth from many different directions. The method is based on a similar approach to that the back-projection technique uses, where the point in time (i.e. part of the seismic wavetrain) is mapped onto the specific point in space through ray tracing. This allows us to achieve multiple illumination of the same structure and thereby minimize source effects. Using scattered energy enables us to cover and probe a larger area of the Earth's interior. We test the feasibility of our approach deploying the precursors to PcP and PKP seismic phases. We also test our method on synthetically created traces (both monochromatic and multi-frequency waves) varying the depths of the scatterers. We detect significant improvements, both in the signal quality and resolution, with an

  16. The viscoelastic properties of the vitreous humor measured using an optically trapped local probe

    NASA Astrophysics Data System (ADS)

    Watts, Fiona; Tan, Lay Ean; Tassieri, Manlio; McAlinden, Niall; Wilson, Clive G.; Girkin, John M.; Wright, Amanda J.

    2011-10-01

    We present results demonstrating for the first time that an optically trapped bead can be used as a local probe to measure the variation in the viscoelastic properties of the vitreous humor of a rabbit eye. The Brownian motion of the optically trapped bead was monitored on a fast CCD camera on the millisecond timescale. Analysis of the bead trajectory provides local information about the viscoelastic properties of the medium surrounding the particle. Previous, bulk, methods for measuring the viscoelastic properties of the vitreous destroy the sample and allow only a single averaged measurement to be taken per eye. Whereas, with our approach, we were able to observe local behaviour typical of non-Newtonian and gel-like materials, along with the homogenous and in-homogeneous nature of different regions of the dissected vitreous humor. The motivation behind these measurements is to gain a better understanding of the structure of the vitreous humor in order to design effective drug delivery techniques. In particular, we are interested in methods for delivering drug to the retina of the eye in order to treat sight threatening diseases such as age related macular degeneration.

  17. Visualizing chemical structure-subcellular localization relationships using fluorescent small molecules as probes of cellular transport

    PubMed Central

    2013-01-01

    Background To study the chemical determinants of small molecule transport inside cells, it is crucial to visualize relationships between the chemical structure of small molecules and their associated subcellular distribution patterns. For this purpose, we experimented with cells incubated with a synthetic combinatorial library of fluorescent, membrane-permeant small molecule chemical agents. With an automated high content screening instrument, the intracellular distribution patterns of these chemical agents were microscopically captured in image data sets, and analyzed off-line with machine vision and cheminformatics algorithms. Nevertheless, it remained challenging to interpret correlations linking the structure and properties of chemical agents to their subcellular localization patterns in large numbers of cells, captured across large number of images. Results To address this challenge, we constructed a Multidimensional Online Virtual Image Display (MOVID) visualization platform using off-the-shelf hardware and software components. For analysis, the image data set acquired from cells incubated with a combinatorial library of fluorescent molecular probes was sorted based on quantitative relationships between the chemical structures, physicochemical properties or predicted subcellular distribution patterns. MOVID enabled visual inspection of the sorted, multidimensional image arrays: Using a multipanel desktop liquid crystal display (LCD) and an avatar as a graphical user interface, the resolution of the images was automatically adjusted to the avatar’s distance, allowing the viewer to rapidly navigate through high resolution image arrays, zooming in and out of the images to inspect and annotate individual cells exhibiting interesting staining patterns. In this manner, MOVID facilitated visualization and interpretation of quantitative structure-localization relationship studies. MOVID also facilitated direct, intuitive exploration of the relationship between the

  18. Probing the Structure-Function Relationships of Microbial Systems

    SciTech Connect

    Plomp, M; Leighton, T J; Holman, H; Malkin, A J

    2005-11-03

    The elucidation of microbial surface architecture and function is critical to determining mechanisms of pathogenesis, immune response, physicochemical properties, environmental resistance and development of countermeasures against bioterrorist agents. We have utilized high-resolution in vitro AFM for studies of structure, assembly, function and environmental dynamics of several microbial systems including bacteria and bacterial spores. Lateral resolutions of {approx}2.0 nm were achieved on pathogens, in vitro. We have demonstrated, using various species of Bacillus and Clostridium bacterial spores, that in vitro AFM can address spatially explicit spore coat protein interactions, structural dynamics in response to environmental changes, and the life cycle of pathogens at near-molecular resolution under physiological conditions. We found that strikingly different species-dependent crystalline structures of the spore coat appear to be a consequence of nucleation and crystallization mechanisms that regulate the assembly of the outer spore coat, and we proposed a unifying mechanism for outer spore coat self-assembly. Furthermore, we revealed molecular-scale transformations of the spore coat during the germination process, which include profound, previously unrecognized changes of the spore coat. We will present data on the direct visualization of stress-induced environmental response of metal-resistant Arthrobacter oxydans bacteria to Cr (VI) exposure, resulting in the formation of a supramolecular crystalline hexagonal structure on the cell surface. At higher Cr (VI) concentrations the formation of microbial extracellular polymers, which cover microbial colony was observed. High-resolution visualization of stress-induced structures on bacterial surfaces builds a foundation for real time in vitro molecular scale studies of structural dynamics of metal-resistant bacteria in response to environmental stimuli. In the case of the bacterium Chlamedia trachomatis, we were

  19. Acoustic Properties of Lens Materials for Ultrasonic Probes

    NASA Astrophysics Data System (ADS)

    Fujii, Hideji; Nakaya, Chitose; Takeuchi, Hiroshi; Kondo, Toshio; Ishikawa, Yasuo

    1995-01-01

    The acoustic velocities and densities of 20 types of commercial rubber have been measured at a frequency of 2 MHz at room temperature, and they are evaluated in terms of their application to an acoustic lens or an acoustic window of probes of an ultrasonic diagnostic instrument. Fluorosilicone rubber and phoshazene rubber have lower acoustic velocities than the human body, and they have excellent impedance matching with the human body. Both the acoustic velocities and densities of butadiene rubber, polybutadiene rubber, acrylic rubber and polyurethane match those of the human body. It is also described that rubber having good impedance matching with the human body can be fabricated by adjusting the volume fraction of the added filler.

  20. Perichromism: a powerful tool for probing the properties of cellulose and its derivatives.

    PubMed

    Fidale, Ludmila C; Heinze, Thomas; El Seoud, Omar A

    2013-03-01

    This overview is concerned with the use of certain dyes (perichromic indicators, hereafter designated as "probes") in order to determine the properties of cellulose, its solutions and solid derivatives. It is arranged as follows: (i) the properties of cellulose and its derivatives that are relevant to their applications are listed; (ii) a general discussion is presented on how perichromism can be employed in order to gain information on the medium where the probe is present; (iii) the results of perichromism, as applied to cellulose, cellulose solutions, and derivative films are discussed. PMID:23465911

  1. Point group sensitive probes of the pseudogap electronic structure in Bi2212

    NASA Astrophysics Data System (ADS)

    Hinton, J. P.; Koralek, J. D.; Orenstein, J.; Firmo, I.; Hamidian, M.; Fujita, K.; Davis, J. C.

    2011-03-01

    We combine optical transient grating spectroscopy (TGS) and spectroscopic imaging scanning tunneling microscopy (SI-STM) to study the pseudogap electronic structure in the underdoped cuprate superconductor Bi 2 Sr 2 CaCu 2 O8 + δ . In TGS a pair of 50 fs pump pulses at 800 nm coincident on the sample surface generate a sinusoidal variation in the index of refraction. This index grating is phase sensitively probed, allowing us to clearly resolve two components in the optical response below Tc. We attribute one of the components to a coherent nonlinear optical process, whose properties are sensitive to the point group symmetry of the pseudogap electronic structure. We compare the results of these optical experiments with recent analysis of SI-STM data (M. J. Lawler et al Nature 466 , 347 (2010)) which measures the amplitude of peaks at various reciprocal lattice vectors in the Fourier transform of atomically resolved images of the pseudogap electronic structure. The symmetry properties of the SI-STM Bragg amplitudes provide additional evidence relevant to the point group of the pseudogap electronic structure.

  2. Probing the role of Ga in amorphous conducting oxides through local structure studies

    NASA Astrophysics Data System (ADS)

    Moffitt, Stephanie; Zhu, Qimin; Ma, Qing; Buchholz, Donald; Chang, Robert; Mason, Thomas; Marks, Tobin; Bedzyk, Michael

    2015-03-01

    The study of amorphous (a-) conducting oxides is an emerging field. The lack of grain boundaries, smooth surfaces, and low temperature deposition position these materials as ideal candidates for large area applications and flexible electronics. Most impressively, these materials maintain high electron mobility in the amorphous state. These benefits have led the recent commercialization of a-IGZO (Ga and Zn doped indium oxide) as a replacement for a-Si as the channel layer of thin film transistors in display technology. Despite this success, fundamental understanding of structure-property relationships is still lacking and must be improved to guide further development of amorphous conducting oxides. X-ray absorption spectroscopy (XAS) is one of the few tools that can be used to probe the structure of amorphous materials. Amorphous indium oxide doped with Ga (a-IGO) is a model system to help develop the role of dopants in amorphous oxides. An in depth XAS study was carried out to determine inter-atomic distances, coordination numbers, and structural disorder parameters as a function of Ga doping level. The correlation between XAS-derived structural features and the dopant-dependent evolution of both electrical properties and thermal stability of a-IGO will be discussed. This work is supported by the NSF MRSEC Program No. DMR1121262.

  3. Probing model tumor interfacial properties using piezoelectric cantilevers.

    PubMed

    Yegingil, Hakki; Shih, Wan Y; Shih, Wei-Heng

    2010-09-01

    Invasive malignant breast cancers are typically branchy and benign breast tumors are typically smooth. It is of interest to characterize tumor branchiness (roughness) to differentiate invasive malignant breast cancer from noninvasive ones. In this study, we examined the shear modulus (G) to elastic modulus (E) ratio, G/E, as a quantity to describe model tumor interfacial roughness using a piezoelectric cantilever capable of measuring both tissue elastic modulus and tissue shear modulus. The piezoelectric cantilever used had two lead zirconate titanate layers to facilitate all-electrical elastic (shear) modulus measurements using one single device. We constructed model tissues with tumors by embedding one-dimensional (1D) corrugated inclusions and three-dimensional (3D) spiky-ball inclusions made of modeling clay in gelatin. We showed that for smooth inclusions, G/E was 0.3 regardless of the shear direction. In contrast, for a 1D corrugated rough inclusion G/E was 0.3 only when the shear was parallel to corrugation and G/E increased with an increasing angle between the shear direction and the corrugation. When the shear was perpendicular to corrugation, G/E became >0.7. For 3D isotropic spiky-ball inclusions we showed that the G/E depended on the degree of the roughness. Using the ratio s/r of the spike length (s) to the overall inclusion radius (r) as a roughness parameter, we showed that for inclusions with s/r larger than or equal to 0.28, the G/E ratio over the inclusions was larger than 0.7 whereas for inclusions with s/r less than 0.28, the G/E decreased with decreasing s/r to around 0.3 at s/r=0. In addition, we showed that the depth limit of the G/E measurement is twice the width of the probe area of the piezoelectric cantilever. PMID:20887005

  4. Probing qubit by qubit: Properties of the POVM and the information/disturbance tradeoff

    NASA Astrophysics Data System (ADS)

    Sparaciari, Carlo; Paris, Matteo G. A.

    2014-04-01

    We address the class of positive operator-valued measures (POVMs) for qubit systems that are obtained by coupling the signal qubit with a probe qubit and then performing a projective measurement on the sole probe system. These POVMs, which represent the simplest class of qubit POVMs, depends on 3 + 3 + 2 = 8 free parameters describing the initial preparation of the probe qubit, the Cartan representative of the unitary coupling, and the projective measurement at the output, respectively. We analyze in some detail the properties of the POVM matrix elements, and investigate their values for given ranges of the free parameters. We also analyze in detail the tradeoff between information and disturbance for different ranges of the free parameters, showing, among other things, that (i) typical values of the tradeoff are close to optimality and (ii) even using a maximally mixed probe one may achieve optimal tradeoff.

  5. The environmental properties of galaxies probed by marked statistics

    NASA Astrophysics Data System (ADS)

    Mateus, A.

    2014-10-01

    Galaxies are generally treated as point particles in clustering analysis. However, these objects have physical and stellar population properties that must be taken into account if one wants to study the environmental effects on galaxy evolution. In this work, we applied a statistical method to investigate the role of environment in driving galaxy properties based on the marked correlation function. This methodology was applied to a galaxy sample drawn from the Sloan Digital Sky Survey Data Release 7, where the clustering of galaxies was weighted by particular galaxy properties, like luminosity and stellar mass, thus more directly quantifying the correlations between these attributes and large-scale environment. We show that marked statistics are powerful to reproduce environmental trends for variables like luminosities and stellar masses, as well as to quantify the relative importance of them with respect to the environment. For low density regions in the local universe, mark correlations relative to the mean are stronger compared to dense regions. This implies that the clustering of stellar mass, for instance, is more sensitive to environments associated to individual halos in close galaxy pairs than to massive halos found in clusters, where the correlations don't show any difference relative to the mean. We conclude that in nearby galaxy clusters, dominated by massive objects, galaxies are equally clustered (marked correlation = average clustering). On the other hand, galaxies in low density regions span a wide range in stellar mass (halo sizes) where the correlations appear more dramatically.

  6. Determination of Relationship between Dielectric Properties, Compressive Strength, and Age of Concrete with Rice Husk Ash Using Planar Coaxial Probe

    NASA Astrophysics Data System (ADS)

    Piladaeng, Nawarat; Angkawisittpan, Niwat; Homwuttiwong, Sahalaph

    2016-02-01

    This paper deals with an investigation of the dielectric properties of concretes that includes rice husk ash using a planar coaxial probe. The planar coaxial probe has a planar structure with a microstrip and coaxial features. The measurement was performed over the frequency range of 0.5-3.5 GHz, and concrete specimens with different percentages of rice husk ash were tested. The results indicated that the dielectric constant of the concretes was inversely proportional to the frequency, while the conductivity was proportional to the frequency. The dielectric constant decreased with the increasing age of the concrete at the frequency of 1 GHz. The conductivity of the concrete decreased with the increasing age of the concrete at the frequency of 3.2 GHz. In addition, the dielectric constant and the conductivity decreased when the compressive strength increased. It was also shown that the obtained dielectric properties of the concrete could be used to investigate the relationship between the compressive strength and age of the concrete. Moreover, there is an opportunity to apply the proposed probe to determine the dielectric properties of other materials.

  7. Electronic Structure of Germanium Nanocrystal Films Probed with Synchrotron Radiation

    SciTech Connect

    Bostedt, C

    2002-05-01

    The fundamental structure--property relationship of semiconductor quantum dots has been investigated. For deposited germanium nanocrystals strong quantum confinement effects have been determined with synchrotron radiation based x-ray absorption and photoemission techniques. The nanocrystals are condensed out of the gas phase with a narrow size distribution and subsequently deposited in situ onto various substrates. The particles are crystalline in the cubic phase with a structurally disordered surface shell and the resulting film morphology depends strongly on the substrate material and condition. The disordered surface region has an impact on the overall electronic structure of the particles. In a size-dependent study, the conduction and valence band edge of germanium nanocrystals have been measured for the first time and compared to the bulk crystal. The band edges move to higher energies as the particle size is decreased, consistent with quantum confinement theory. To obtain a more accurate analysis of confinement effects in the empty states, a novel analysis method utilizing an effective particle size for the x-ray absorption experiment, which allows a deconvolution of absorption edge broadening effects, has been introduced. Comparison of the present study to earlier studies on silicon reveals that germanium exhibits stronger quantum confinement effects than silicon. Below a critical particle size of 2.3 {+-} 0.7 nm, the band gap of germanium becomes larger than that of silicon--even if it is the opposite for bulk materials. This result agrees phenomenologically with effective mass and tight binding theories but contradicts the findings of recent pseudopotential calculations. The discrepancy between theory and experiments is attributed to the differences in the theoretical models and experimental systems. The experimentally observed structural disorder of the particle surface has to be included in the theoretical models.

  8. Probing structure-antifouling activity relationships of polyacrylamides and polyacrylates.

    PubMed

    Zhao, Chao; Zhao, Jun; Li, Xiaosi; Wu, Jiang; Chen, Shenfu; Chen, Qiang; Wang, Qiuming; Gong, Xiong; Li, Lingyan; Zheng, Jie

    2013-07-01

    We have synthesized two different polyacrylamide polymers with amide groups (polySBAA and polyHEAA) and two corresponding polyacrylate polymers without amide groups (polySBMA and polyHEA), with particular attention to the evaluation of the effect of amide group on the hydration and antifouling ability of these systems using both computational and experimental approaches. The influence of polymer architectures of brushes, hydrogels, and nanogels, prepared by different polymerization methods, on antifouling performance is also studied. SPR and ELISA data reveal that all polymers exhibit excellent antifouling ability to repel proteins from undiluted human blood serum/plasma, and such antifouling ability can be further enhanced by presenting amide groups in polySBAA and polyHEAA as compared to polySBMA and polyHEA. The antifouling performance is positively correlated with the hydration properties. Simulations confirm that four polymers indeed have different hydration characteristics, while all presenting a strong hydration overall. Integration of amide group with pendant hydroxyl or sulfobetaine group in polymer backbones is found to increase their surface hydration of polymer chains and thus to improve their antifouling ability. Importantly, we present a proof-of-concept experiment to synthesize polySBAA nanogels, which show a switchable property between antifouling and pH-responsive functions driven by acid-base conditions, while still maintaining high stability in undiluted fetal bovine serum and minimal toxicity to cultured cells. This work provides important structural insights into how very subtle structural changes in polymers can yield great improvement in biological activity, specifically the inclusion of amide group in polymer backbone/sidechain enables to obtain antifouling materials with better performance for biomedical applications. PMID:23562049

  9. Structural evaluation of thermocouple probes for 241-AZ-101 waste tank

    SciTech Connect

    Kanjilal, S.K.

    1994-12-06

    This document reports on the structural analysis of the thermocouple probe to be installed in 241-AZ-101 waste tank. The thermocouple probe is analyzed for normal pump mixing operation and potential earthquake induced loads required by the Hanford Site Design Criteria SDC-4.1.

  10. Probing surface structures of Shewanella spp. by microelectrophoresis.

    PubMed

    Dague, Etienne; Duval, Jérôme; Jorand, Frédéric; Thomas, Fabien; Gaboriaud, Fabien

    2006-04-01

    Long-range electrostatic forces substantially influence bacterial interactions and bacterial adhesion during the preliminary steps of biofilm formation. The strength of these forces depends strongly on the structure of the bacterium surfaces investigated. The latter may be addressed from appropriate analysis of electrophoretic mobility measurements. Due to the permeable character of the bacterium wall and/or surrounding polymer layer, bacteria may be regarded as paradigms of soft bioparticles. The electrophoretic motion of such particles in a direct-current electric field differs considerably from that of their rigid counterparts in the sense that electroosmotic flow takes place around and within the soft surface layer. Recent developments of electrokinetic theories for soft particles now render possible the evaluation of the softness degree (or equivalently the hydrodynamic permeability) from the raw electrokinetic data. In this article, the electrophoretic mobilities of three Shewanella strains (MR-4, CN32, and BrY) presenting various and well-characterized phenotypes of polymer fringe are reported over a wide range of pH and ionic strength conditions. The data are quantitatively analyzed on the basis of a rigorous numerical evaluation of the governing electrostatic and hydrodynamic equations for soft particles. It is clearly shown how the peculiar surface structures of the bacteria investigated are reflected in their electrohydrodynamic properties. PMID:16415062

  11. Probing mechanical properties of living cells by magnetopneumography.

    PubMed

    Möller, W; Takenaka, S; Rust, M; Stahlhofen, W; Heyder, J

    1997-01-01

    Magnetopneumography (MPG) has been used to study long-term particle clearance from human lungs as well as cellular motility of pulmonary macrophages (PMs). This study describes an extension of the method enabling the measurement of mechanical properties of PM cells in vivo. Ferromagnetic microparticles are inhaled and then retained in the alveolar region of the lungs, where they are phagocytized within hours by PMs. The magnetic particles can be rotated in weak magnetic fields, and the response to this twisting shear (force) is detected as a macroscopic magnetic field producing a measure of cytoskeletal mechanics. Cytoplasmic viscosity is very high compared with that of water and is strongly non-Newtonian. Under rotational stresses from 0.4 to 6.4 Pa, it acts like a pseudoplastic fluid showing a characteristic shear rate dependence. The viscosity as well as the stiffness of the cytoskeleton increases with increasing shear stress as seems typical for living tissue and evidence for an intact cytoskeletal matrix. The particle recoil as measured by the amount of recoverable strain following a short twisting force describes a cytoplasmic elasticity that depends on both level and duration of stress. These investigations on the mechanical properties of living human cells are promising and should lead to better understanding of cellular dysfunction in disease as well as pathways for drug administration. PMID:10174196

  12. Probing surface properties of Jupiter Trojans by polarimetric observations

    NASA Astrophysics Data System (ADS)

    Belskaya, I.; Bagnulo, S.; Stinson, A.; Christou, A.; Muinonen, K.

    2014-07-01

    We present the first polarimetric observations of six Jupiter Trojans, namely (588) Achilles, (1583) Antilochus, (3548) Eurybates, (4543) Phoinix, (6545) 1986 TR_6, and (21601) 1998 XO_{89}. All these objects belong to the L4 population of Jupiter Trojans and have diameters in the range of 50-160 km (Grav et al. 2011). The observations were carried out in 2013 at ESO VLT. Each object was observed at 3-4 different phase angles in the phase-angle range from 7 deg up to 11-12 deg, the largest possible phase angles in the ground-based observations of Trojans. Observations were made in the R band with a typical accuracy of 0.05 %. We have measured negative polarization branch for each object with polarization minima varying from -1 % to -1.3 %. The polarization-phase-angle behavior of the observed Trojans is found to be very similar to that of some low-albedo main-belt asteroids, in particular, the P-type asteroids. We compare photometric and polarimetric phase dependencies of Trojans to the phase curves of inner and outer Solar System bodies. Possible relationships of phase-curve parameters with albedos and spectral properties are investigated. Constraints on the surface properties of Jupiter Trojans from the polarimetric observations are discussed.

  13. The investigation of time dependent flame structure by ionization probes

    NASA Technical Reports Server (NTRS)

    Ventura, J. M. P.; Suzuki, T.; Yule, A. J.; Ralph, S.; Chigier, N. A.

    1980-01-01

    Ionization probes were used to measure mean ionization current and frequency spectra, auto-correlations and cross-correlations in jet flames with variation in the initial Reynolds numbers and equivalence ratios. Special attention was paid to the transitional region between the burner exit plane and the plane of onset of turbulence.

  14. Elastic properties of epithelial cells probed by atomic force microscopy.

    PubMed

    Brückner, Bastian R; Janshoff, Andreas

    2015-11-01

    Cellular mechanics plays a crucial role in many biological processes such as cell migration, cell growth, embryogenesis, and oncogenesis. Epithelia respond to environmental cues comprising biochemical and physical stimuli through defined changes in cell elasticity. For instance, cells can differentiate between certain properties such as viscoelasticity or topography of substrates by adapting their own elasticity and shape. A living cell is a complex viscoelastic body that not only exhibits a shell architecture composed of a membrane attached to a cytoskeleton cortex but also generates contractile forces through its actomyosin network. Here we review cellular mechanics of single cells in the context of epithelial cell layers responding to chemical and physical stimuli. This article is part of a Special Issue entitled: Mechanobiology. PMID:26193077

  15. Probing mechanical properties of fully hydrated gels and biological tissues.

    PubMed

    Constantinides, Georgios; Kalcioglu, Z Ilke; McFarland, Meredith; Smith, James F; Van Vliet, Krystyn J

    2008-11-14

    A longstanding challenge in accurate mechanical characterization of engineered and biological tissues is maintenance of both stable sample hydration and high instrument signal resolution. Here, we describe the modification of an instrumented indenter to accommodate nanomechanical characterization of biological and synthetic tissues in liquid media, and demonstrate accurate acquisition of force-displacement data that can be used to extract viscoelastoplastic properties of hydrated gels and tissues. We demonstrate the validity of this approach via elastoplastic analysis of relatively stiff, water-insensitive materials of elastic moduli E>1000 kPa (borosilicate glass and polypropylene), and then consider the viscoelastic response and representative mechanical properties of compliant, synthetic polymer hydrogels (polyacrylamide-based hydrogels of varying mol%-bis crosslinker) and biological tissues (porcine skin and liver) of E<500 kPa. Indentation responses obtained via loading/unloading hystereses and contact creep loading were highly repeatable, and the inferred E were in good agreement with available macroscopic data for all samples. As expected, increased chemical crosslinking of polyacrylamide increased stiffness (E40 kPa) and decreased creep compliance. E of porcine liver (760 kPa) and skin (222 kPa) were also within the range of macroscopic measurements reported for a limited subset of species and disease states. These data show that instrumented indentation of fully immersed samples can be reliably applied for materials spanning several orders of magnitude in stiffness (E=kPa-GPa). These capabilities are particularly important to materials design and characterization of macromolecules, cells, explanted tissues, and synthetic extracellular matrices as a function of spatial position, degree of hydration, or hydrolytic/enzymatic/corrosion reaction times. PMID:18922534

  16. Coaxial-probe contact-force monitoring for dielectric properties measurements

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A means is described for measuring and monitoring the contact force applied to a material sample with an open-ended coaxial-line probe for purposes of measuring the dielectric properties of semisolid material samples such as fruit, vegetable and animal tissues. The equipment consists of a stainless...

  17. Cataclysmic variables as probes of x-ray properties of interstellar grains

    SciTech Connect

    Bode, M.F.; Evans, A.; Norwell, G.A.

    1983-01-01

    Interstellar-grain properties have previously been probed at wavelengths ranging from the infrared to the ultraviolet. Recent work by other authors has shown that we may also observe the effects of scattering by such grains at x-ray wavelengths. In this paper we suggest that investigations of the x-ray properties of interstellar grains may profitably be conducted in sight lines to variable sources. Particular emphasis is given in this context to cataclysmic variables and related objects.

  18. RR Lyrae stars as probes of the Milky Way structure and formation

    NASA Astrophysics Data System (ADS)

    Pietrukowicz, Pawel

    2016-08-01

    RR Lyrae stars being distance indicators and tracers of old population serve as excellent probes of the structure, formation, and evolution of our Galaxy. Thousands of them are being discovered in ongoing wide-field surveys. The OGLE project conducts the Galaxy Variability Survey with the aim to detect and analyze variable stars, in particular of RRab type, toward the Galactic bulge and disk, covering a total area of 3000 deg2. Observations in these directions also allow detecting background halo variables and unique studies of their properties and distribution at distances from the Galactic Center to even 40 kpc. In this contribution, we present the first results on the spatial distribution of the observed RRab stars, their metallicity distribution, the presence of multiple populations, and relations with the old bulge. We also show the most recent results from the analysis of RR Lyrae stars of the Sgr dwarf spheroidal galaxy, including its center, the globular cluster M54.

  19. Develop Infrared Structural Biology for Probing Structural Dynamics of Protein Functions

    NASA Astrophysics Data System (ADS)

    Xie, Aihua; Kang, Zhouyang; Causey, Oliver; Liu, Charle

    2015-03-01

    Protein functions are carried out through a series of structural transitions. Lack of knowledge on functionally important structural motions of proteins impedes our understanding of protein functions. Infrared structural biology is an emerging technology with powerful applications for protein structural dynamics. One key element of infrared structural biology is the development of vibrational structural marker (VSM) database library that translates infrared spectroscopic signals into specific structural information. We report the development of VSM for probing the type, geometry and strength of hydrogen bonding interactions of buried COO- side chains of Asp and Glu in proteins. Quantum theory based first principle computational studies combined with bioinformatic hydrogen bond analysis are employed in this study. We will discuss the applications of VSM in mechanistic studies of protein functions. Infrared structural biology is expected to emerge as a powerful technique for elucidating the functional mechanism of a broad range of proteins, including water soluble and membrane proteins. This work is supported by OCAST HR10-078 and NSF DBI1338097.

  20. Structure-Dependent Viscoelastic Properties of C(9)-Alkanethiol Monolayers

    SciTech Connect

    Mayer, Thomas M.; Michalske, Terry A.; Shinn, Neal D.

    1999-08-10

    Quartz crystal microbalance techniques and in situ spectroscopic ellipsometry are used to probe the structure-dependent intrinsic viscoelastic properties of self-assembled CH{sub 3}(CH{sub 2}){sub 8}SH alkanethiol monolayer adsorbed from the gas phase onto Au(111)-textured substrates. Physisorbed molecules, mixed chemisorbed-fluid/solid phases and solid-phase domain boundaries make sequentially dominant contributions to the measured energy dissipation in the growing monolayer. Deviations from Langmuir adsorption kinetics reveal a precursor-mediated adsorption channel. These studies reveal the impact of structural heterogeneity in tribological studies of monolayer lubricants.

  1. Probing the Surface Properties of Gold at Low Electrolyte Concentration.

    PubMed

    Tivony, Ran; Klein, Jacob

    2016-07-26

    Using the surface force balance (SFB), we studied the surface properties of gold in aqueous solution with low electrolyte concentration (∼10(-5) M and pH = 5.8), i.e., water with no added salt, by directly measuring the interaction between an ultrasmooth gold surface (ca. 0.2 nm rms roughness) and a mica surface. Under these conditions, specific adsorption of ions is minimized and its influence on the surface charge and surface potential of gold is markedly reduced. At open circuit potential, the electrostatic interaction between gold and mica was purely attractive and gold was found to be positively charged. This was further confirmed by force measurements against a positively charged surface, poly-l-lysine coated mica. Successive force measurements unambiguously showed that once gold and mica reach contact all counterions are expelled from the gap, confirming that at contact the surface charge of gold is equal and opposite in charge to that of mica. Further analysis of adhesion energy between the surfaces indicated that adhesion is mostly governed by vdW dispersion force and to a lesser extent by electrostatic interaction. Force measurements under external applied potentials showed that the gold-mica interaction can be regulated as a function of applied potential even at low electrolyte concentration. The gold-mica interaction was described very precisely by the nonlinearized Poisson-Boltzmann (PB) equation, where one of the surfaces is at constant charge, i.e., mica, and the other, i.e., gold, is at constant potential. Consequently, the gold surface potential could be determined accurately both at open circuit potential (OCP) and under different applied potentials. Using the obtained surface potentials, we were able to derive fundamental characteristics of the gold surface, e.g., its surface charge density and potential of zero charge (PZC), at very low electrolyte concentration. PMID:27357375

  2. Probing the mechanical properties of dental porcelain through nanoindentation

    NASA Astrophysics Data System (ADS)

    Manda, Marianthi; Moschakis, Nikolaos; Konstantinidis, Avraam; Christophilos, Demetrios; Papadopoulou, Lambrini; Koidis, Petros; Aifantis, Elias

    2012-11-01

    The purpose of this short communication is to report on some micro/nanoscale aspects of the mechanical behavior of dental porcelain. Specimens were characterized by micro-Raman spectroscopy and scanning electron microscopy (SEM) coupled with energy dispersive spectroscopy (EDS). Massive nanoindentation experiments on the surface of the specimens were performed, and typical load-displacement or load-depth (P-h) curves were obtained, which in turn were used to determine the Young modulus (E) and nanoindentation hardness (n-H), based on the Oliver-Pharr method [1]. Statistical analyses were carried out to determine the Spearman’s rank correlation coefficient (Spearman’s ρ), along with non-parametric linear regression analysis by employing Kolmogorov-Smirnov and Two-Step Cluster tests. Densification due to grain boundary diffusion and open-pore elimination was revealed by SEM. EDS analysis indicated a leucite-dispersed silicate glass matrix, as well as its contamination by traces of other minerals. Raman spectroscopy supported the EDS assignments. The P-h curves suggested that inelastic deformation and material flow increases at larger depths. Spearman’s ρ value showed strong dependence of E and n-H on h, indicating the occurrence of a size effect. The logarithmic data of E and n-H as functions of h were fitted by using linear regression analysis. The data did not obey a normal distribution (as the Kolmogorov-Smirnov test showed) due to the chemical heterogeneity involved. The Two-Step Cluster analysis indicated clustering in four groups associated with the chemical heterogeneity of the surface. Similar works using nanoindentation to determine the mechanical properties of dental materials can be found, for example, in [2, 3]. Corresponding methods for extracting the values of E and n-H from P-h experimental curves can be found, for example, in [4-6].

  3. Probing Nucleon Structure with Meson Electro-production in Hall C

    SciTech Connect

    Wood, Stephen

    2011-02-01

    Meson electro-production is used in Hall C at Jefferson Lab to probe nucleon, baryon and nuclear structure. The experimental program in Hall C includes studies of semi-inclusive pion production, p, d(e, e'π±)X, where low energy factorization has been observed, suggesting that these reactions can be used to probe nucleon structure, including transverse momentum distributions of quarks, at energies available at JLab after the upcoming 12 GeV upgrade.

  4. Spectral properties of molecular charge-transfer probe QMOM

    NASA Astrophysics Data System (ADS)

    Tomin, V. I.; Jaworski, R.; Yushchenko, D. A.

    2010-09-01

    The spectral characteristics of solutions of a dye with dual fluorescence, 1-methyl-2-(4-methoxy)phenyl-3-hydroxy-4(1H)-quinolone, in acetonitrile are studied upon selective excitation. This dye is a structural analogue of 3-hydroxyflavone and also exhibits excited-state proton transfer, which, as well as in the case of 3-hydroxyflavone, has a kinetic nature. The fluorescence spectra are studied upon excitation by photons of various energies, and the excitation spectra are recorded at wavelengths of different fluorescence bands. It is found that the intensity ratio of the emission of the normal and tautomeric forms (at wavelength of 415 and 518 nm, respectively) is almost the same (0.23-0.25) for excitation in the regions of the main and the second absorption bands. At the same time, in the case of excitation between these bands, this ratio decreases to 0.19. The second interesting feature is the existence of a third latent emission band peaked at about 480 nm, which is reliably detected upon excitation at wavelengths in the region of 400-450 nm. This study shows that this emission belongs to the anionic form of the dye. This form is also responsible for a decrease in the intensity ratio of the emission of the two main forms in the case of excitation between the first and second absorption bands.

  5. PROPERTIES OF DUST GRAINS PROBED WITH EXTINCTION CURVES

    SciTech Connect

    Nozawa, Takaya; Fukugita, Masataka

    2013-06-10

    Modern data of the extinction curve from the ultraviolet to the near-infrared are revisited to study properties of dust grains in the Milky Way (MW) and the Small Magellanic Cloud (SMC). We confirm that the graphite-silicate mixture of grains yields the observed extinction curve with the simple power-law distribution of the grain size but with a cutoff at some maximal size: the parameters are tightly constrained to be q = 3.5 {+-} 0.2 for the size distribution a {sup -q} and the maximum radius a{sub max} = 0.24 {+-} 0.05 {mu}m, for both MW and SMC. The abundance of grains, and hence the elemental abundance, is constrained from the reddening versus hydrogen column density, E(B - V)/N{sub H}. If we take the solar elemental abundance as the standard for the MW, >56% of carbon should be in graphite dust, while it is <40% in the SMC using its available abundance estimate. This disparity and the relative abundance of C to Si explain the difference of the two curves. We find that 50%-60% of carbon may not necessarily be in graphite but in the amorphous or glassy phase. Iron may also be in the metallic phase or up to {approx}80% in magnetite rather than in silicates, so that the Mg/Fe ratio in astronomical olivine is arbitrary. With these substitutions, the parameters of the grain size remain unchanged. The mass density of dust grains relative to hydrogen is {rho}{sub dust}/{rho}{sub H}= 1 / (120{sup +10}{sub -16}) for the MW and 1 / (760{sup +70}{sub -90}) for the SMC under the elemental abundance constraints. We underline the importance of the wavelength dependence of the extinction curve in the near-infrared in constructing the dust model: if A{sub {lambda}}{proportional_to}{lambda}{sup -{gamma}} with {gamma} {approx_equal} 1.6, the power-law grain-size model fails, whereas it works if {gamma} {approx_equal} 1.8-2.0.

  6. FDTD simulations and analysis of thin sample dielectric properties measurements using coaxial probes

    SciTech Connect

    Bringhurst, S.; Iskander, M.F.; White, M.J.

    1996-12-31

    A metallized ceramic probe has been designed for high temperature broadband dielectric properties measurements. The probe was fabricated out of an alumina tube and rod as the outer and inner conductors respectively. The alumina was metallized with a 3 mil layer of moly-manganese and then covered with a 0.5 mil protective layer of nickel plating. The probe has been used to make complex dielectric properties measurements over the complete frequency band from 500 MHz to 3 GHz, and for temperatures as high as 1,000 C. A 3D Finite-Difference Time-Domain (FDTD) code was used to help investigate the feasibility of this probe to measure the complex permittivity of thin samples. It is shown that by backing the material under test with a standard material of known dielectric constant, the complex permittivity of thin samples can be measured accurately using the developed FDTD algorithm. This FDTD procedure for making thin sample dielectric properties measurements will be described.

  7. Strain-Rate Frequency Superposition (SRFS) - A rheological probe of structural relaxation in soft materials

    NASA Astrophysics Data System (ADS)

    Wyss, Hans M.

    2007-03-01

    The rheological properties of soft materials such as concentrated suspensions, emulsions, or foams often exhibit surprisingly universal linear and nonlinear features. Here we show that their linear and nonlinear viscoelastic responses can be unified in a single picture by considering the effect of the strain-rate amplitude on the structural relaxation of the material. We present a new approach to oscillatory rheology, which keeps the strain rate amplitude fixed as the oscillation frequency is varied. This allows for a detailed study of the effects of strain rate on the structural relaxation of soft materials. Our data exhibits a characteristic scaling, which isolates the response due to structural relaxation, even when it occurs at frequencies too low to be accessible with standard techniques. Our approach is reminiscent of a technique called time-temperature superposition (TTS), where rheological curves measured at different temperatures are shifted onto a single master curve that reflects the viscoelastic behavior in a dramatically extended range of frequencies. By analogy, we call our approach strain-rate frequency superposition (SRFS). Our experimental results show that nonlinear viscoelastic measurements contain useful information on the slow relaxation dynamics of soft materials. The data indicates that the yielding behavior of soft materials directly probes the structural relaxation process itself, shifted towards higher frequencies by an applied strain rate. This suggests that SRFS will provide new insight into the physical mechanisms that govern the viscoelastic response of a wide range of soft materials.

  8. Synthesis, Physiochemical Properties, Photochemical Probe, and Antimicrobial Effects of Novel Norfloxacin Analogues

    PubMed Central

    Bakhotmah, Dina A.; Abdul-Rahman, Reda M.; Makki, Mohammad S.; El-Zahabi, Mohamed A.; Suliman, Mansor

    2011-01-01

    The emerging resistance to antimicrobial drugs demands the synthesis of new remedies for microbial infections. Attempts have been made to prepare new compounds by modifications in the quinolone structure. An important method for the synthesis of new quinolone is using Vilsmeier approach but has its own limitations. The present work aimed to synthesize novel norfloxacin analogues using modified Vilsmeier approach and conduct preliminary investigations for the evaluation of their physicochemical properties, photochemical probe, and antimicrobial effects. In an effort to synthesize norfloxacin analogues, only 7-bromo-6-N-benzyl piperazinyl-4-oxoquinoline-3-carboxylic acid was isolated using Vilsmeier approach at high temperature, where N, N′-bis-(4-fluoro-3-nitrophenyl)-oxalamide and N, N′-bis-(3-chloro-4-fluorophenyl)-malonamide were obtained at low temperature. Correlation results showed that lipophilicity, molecular mass, and electronic factors might influence the activity. The synthesized compounds were evaluated for their antimicrobial effects against important pathogens, for their potential use in the inhibition of vitiligo. PMID:24052816

  9. Nanomechanical properties of lithiated Si nanowires probed with atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Lee, Hyunsoo; Shin, Weonho; Choi, Jang Wook; Park, Jeong Young

    2012-07-01

    The nanomechanical properties of fully lithiated and pristine Si nanowires (NWs) deposited on a Si substrate were studied with atomic force microscopy (AFM). Si NWs were synthesized using the vapour-liquid-solid process on stainless-steel substrates using an Au catalyst. Fully lithiated Si NWs were obtained using the electrochemical method, followed by drop-casting on a Si substrate. The roughness of the Si NWs, which was derived from AFM images, is greater for the lithiated Si NWs than for the pristine Si NWs. Force spectroscopy was used to study the influence of lithiation on the tip-surface adhesion force. The lithiated Si NWs revealed a smaller tip-surface adhesion force than the Si substrate by a factor of two, while the adhesion force of the Si NWs is similar to that of the Si substrate. Young's modulus, obtained from the force-distance curve, also shows that the pristine Si NWs have a relatively higher value than the lithiated Si NWs due to the elastically soft and amorphous structures of the lithiated region. These results suggest that force spectroscopy can be used to probe the degree of lithiation at nanometer scale during the charging and discharging processes.

  10. Simulation of Probe Position-Dependent Electron Energy-Loss Fine Structure

    SciTech Connect

    Oxley, M. P.; Kapetanakis, M. D.; Prange, Micah P.; Varela, M.; Pennycook, Stephen J.; Pantelides, Sokrates T.

    2014-03-31

    We present a theoretical framework for calculating probe-position-dependent electron energy-loss near-edge structure for the scanning transmission electron microscope by combining density functional theory with dynamical scattering theory. We show how simpler approaches to calculating near-edge structure fail to include the fundamental physics needed to understand the evolution of near-edge structure as a function of probe position and investigate the dependence of near-edge structure on probe size. It is within this framework that density functional theory should be presented, in order to ensure that variations of near-edge structure are truly due to local electronic structure and how much from the diffraction and focusing of the electron beam.

  11. Optical properties of microfabricated fully-metal-coated near-field probes in collection mode.

    PubMed

    Descrovi, Emiliano; Vaccaro, Luciana; Aeschimann, Laure; Nakagawa, Wataru; Staufer, Urs; Herzig, Hans-Peter

    2005-07-01

    A study of the optical properties of microfabricated, fully-metal-coated quartz probes collecting longitudinal and transverse optical fields is presented. The measurements are performed by raster scanning the focal plane of an objective, focusing azimuthally and radially polarized beams by use of two metal-coated quartz probes with different metal coatings. A quantitative estimation of the collection efficiencies and spatial resolutions in imaging both longitudinal and transverse fields is made. Longitudinally polarized fields are collected with a resolution approximately 1.5 times higher as compared with transversely polarized fields, and this behavior is almost independent of the roughness of the probe's metal coating. Moreover, the coating roughness is a critical parameter in the relative collection efficiency of the two field orientations. PMID:16053165

  12. Combining structure probing data on RNA mutants with evolutionary information reveals RNA-binding interfaces.

    PubMed

    Reinharz, Vladimir; Ponty, Yann; Waldispühl, Jérôme

    2016-06-20

    Systematic structure probing experiments (e.g. SHAPE) of RNA mutants such as the mutate-and-map (MaM) protocol give us a direct access into the genetic robustness of ncRNA structures. Comparative studies of homologous sequences provide a distinct, yet complementary, approach to analyze structural and functional properties of non-coding RNAs. In this paper, we introduce a formal framework to combine the biochemical signal collected from MaM experiments, with the evolutionary information available in multiple sequence alignments. We apply neutral theory principles to detect complex long-range dependencies between nucleotides of a single stranded RNA, and implement these ideas into a software called aRNhAck We illustrate the biological significance of this signal and show that the nucleotides networks calculated with aRNhAck are correlated with nucleotides located in RNA-RNA, RNA-protein, RNA-DNA and RNA-ligand interfaces. aRNhAck is freely available at http://csb.cs.mcgill.ca/arnhack. PMID:27095200

  13. Combining structure probing data on RNA mutants with evolutionary information reveals RNA-binding interfaces

    PubMed Central

    Reinharz, Vladimir; Ponty, Yann; Waldispühl, Jérôme

    2016-01-01

    Systematic structure probing experiments (e.g. SHAPE) of RNA mutants such as the mutate-and-map (MaM) protocol give us a direct access into the genetic robustness of ncRNA structures. Comparative studies of homologous sequences provide a distinct, yet complementary, approach to analyze structural and functional properties of non-coding RNAs. In this paper, we introduce a formal framework to combine the biochemical signal collected from MaM experiments, with the evolutionary information available in multiple sequence alignments. We apply neutral theory principles to detect complex long-range dependencies between nucleotides of a single stranded RNA, and implement these ideas into a software called aRNhAck. We illustrate the biological significance of this signal and show that the nucleotides networks calculated with aRNhAck are correlated with nucleotides located in RNA–RNA, RNA–protein, RNA–DNA and RNA–ligand interfaces. aRNhAck is freely available at http://csb.cs.mcgill.ca/arnhack. PMID:27095200

  14. Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature.

    PubMed

    Sellberg, J A; Huang, C; McQueen, T A; Loh, N D; Laksmono, H; Schlesinger, D; Sierra, R G; Nordlund, D; Hampton, C Y; Starodub, D; DePonte, D P; Beye, M; Chen, C; Martin, A V; Barty, A; Wikfeldt, K T; Weiss, T M; Caronna, C; Feldkamp, J; Skinner, L B; Seibert, M M; Messerschmidt, M; Williams, G J; Boutet, S; Pettersson, L G M; Bogan, M J; Nilsson, A

    2014-06-19

    Water has a number of anomalous physical properties, and some of these become drastically enhanced on supercooling below the freezing point. Particular interest has focused on thermodynamic response functions that can be described using a normal component and an anomalous component that seems to diverge at about 228 kelvin (refs 1-3). This has prompted debate about conflicting theories that aim to explain many of the anomalous thermodynamic properties of water. One popular theory attributes the divergence to a phase transition between two forms of liquid water occurring in the 'no man's land' that lies below the homogeneous ice nucleation temperature (TH) at approximately 232 kelvin and above about 160 kelvin, and where rapid ice crystallization has prevented any measurements of the bulk liquid phase. In fact, the reliable determination of the structure of liquid water typically requires temperatures above about 250 kelvin. Water crystallization has been inhibited by using nanoconfinement, nanodroplets and association with biomolecules to give liquid samples at temperatures below TH, but such measurements rely on nanoscopic volumes of water where the interaction with the confining surfaces makes the relevance to bulk water unclear. Here we demonstrate that femtosecond X-ray laser pulses can be used to probe the structure of liquid water in micrometre-sized droplets that have been evaporatively cooled below TH. We find experimental evidence for the existence of metastable bulk liquid water down to temperatures of 227(-1)(+2) kelvin in the previously largely unexplored no man's land. We observe a continuous and accelerating increase in structural ordering on supercooling to approximately 229 kelvin, where the number of droplets containing ice crystals increases rapidly. But a few droplets remain liquid for about a millisecond even at this temperature. The hope now is that these observations and our detailed structural data will help identify those theories that best

  15. Probing Warm Dense Matter electronic structure using X-ray absorption Near Edge Spectroscopy (XANES)

    NASA Astrophysics Data System (ADS)

    Benuzzi Mounaix, Alessandra

    2011-06-01

    The behavior and physical properties of warm dense matter, fundamental for various branches of physics including planetology and Inertial Confinement Fusion, are non trivial to simulate either theoretically, numerically or experimentally. Despite important progress obtained in the last decade on macroscopic characterization (e.g. equations of state), microscopic studies are today necessary to investigate finely the WDM structure changes, the phase transitions and to test physical hypothesis and approximations commonly used in calculations. In this work, highly compressed aluminum has been investigated with the aim of bringing information on the evolution of its electronic structure by using K-edge shift and XANES. The experiment was performed at LULI laboratory where we used one long pulse (500 ps, IL ~ 8 1013 W/cm2) to create a uniform shock and a second ps beam (IL ~ 1017 W/cm2) to generate an ultra-short broadband X-ray source near the Al K-edge. The spectra were registered by using two conical KAP Bragg crystals. The main target was designed to probe the Aluminum in reshocked conditions allowing us to probe and to test theories in an extreme regime up to now unexplored (ρ ~ 3 ρ0 and T ~ 8 eV). The hydrodynamical Al conditions were measured by using VISARs interferometers and self-emission diagnostics. By increasing the delay between the two beams, we have been able to observe the modification of absorption spectra for unloading Al conditions (ρ >= 0.5 g/cc), and to put in evidence the relocalization of the 3p valence electrons occurring in the metal-non metal transition. All data have been compared to ab initio and dense plasma calculations.

  16. Transverse mechanical properties of cell walls of single living plant cells probed by laser-generated acoustic waves.

    PubMed

    Gadalla, Atef; Dehoux, Thomas; Audoin, Bertrand

    2014-05-01

    Probing the mechanical properties of plant cell wall is crucial to understand tissue dynamics. However, the exact symmetry of the mechanical properties of this anisotropic fiber-reinforced composite remains uncertain. For this reason, biologically relevant measurements of the stiffness coefficients on individual living cells are a challenge. For this purpose, we have developed the single-cell optoacoustic nanoprobe (SCOPE) technique, which uses laser-generated acoustic waves to probe the stiffness, thickness and viscosity of live single-cell subcompartments. This all-optical technique offers a sub-micrometer lateral resolution, nanometer in-depth resolution, and allows the non-contact measurement of the mechanical properties of live turgid tissues without any assumption of mechanical symmetry. SCOPE experiments reveal that single-cell wall transverse stiffness in the direction perpendicular to the epidermis layer of onion cells is close to that of cellulose. This observation demonstrates that cellulose microfibrils are the main load-bearing structure in this direction, and suggests strong bonding of microfibrils by hemicelluloses. Altogether our measurement of the viscosity at high frequencies suggests that the rheology of the wall is dominated by glass-like dynamics. From a comparison with literature, we attribute this behavior to the influence of the pectin matrix. SCOPE's ability to unravel cell rheology and cell anisotropy defines a new class of experiments to enlighten cell nano-mechanics. PMID:24615232

  17. Correctness properties for iterated hardware structures

    NASA Technical Reports Server (NTRS)

    Windley, Phillip J.

    1993-01-01

    Iterated structures occur frequently in hardware. This paper describes properties required of mathematical relations that can be implemented iteratively and demonstrates the use of these properties on a generalized class of adders. This work provides a theoretical basis for the correct synthesis of iterated arithmetic structures.

  18. Structure-Property Relationships of Solids in Pharmaceutical Processing

    NASA Astrophysics Data System (ADS)

    Chattoraj, Sayantan

    Pharmaceutical development and manufacturing of solid dosage forms is witnessing a seismic shift in the recent years. In contrast to the earlier days when drug development was empirical, now there is a significant emphasis on a more scientific and structured development process, primarily driven by the Quality-by-Design (QbD) initiatives of US Food and Drug Administration (US-FDA). Central to such an approach is the enhanced understanding of solid materials using the concept of Materials Science Tetrahedron (MST) that probes the interplay between four elements, viz., the structure, properties, processing, and performance of materials. In this thesis work, we have investigated the relationships between the structure and those properties of pharmaceutical solids that influence their processing behavior. In all cases, we have used material-sparing approaches to facilitate property assessment using very small sample size of materials, which is a pre-requisite in the early stages of drug development when the availability of materials, drugs in particular, is limited. The influence of solid structure, either at the molecular or bulk powder levels, on crystal plasticity and powder compaction, powder flow, and solid-state amorphization during milling, has been investigated in this study. Through such a systematic evaluation, we have captured the involvement of structure-property correlations within a wide spectrum of relevant processing behaviors of pharmaceutical solids. Such a holistic analysis will be beneficial for addressing both regulatory and scientific issues in drug development.

  19. Probing Actinide Electronic Structure through Pu Cluster Calculations

    DOE PAGESBeta

    Ryzhkov, Mickhail V.; Mirmelstein, Alexei; Yu, Sung-Woo; Chung, Brandon W.; Tobin, James G.

    2013-02-26

    The calculations for the electronic structure of clusters of plutonium have been performed, within the framework of the relativistic discrete-variational method. Moreover, these theoretical results and those calculated earlier for related systems have been compared to spectroscopic data produced in the experimental investigations of bulk systems, including photoelectron spectroscopy. Observation of the changes in the Pu electronic structure as a function of size provides powerful insight for aspects of bulk Pu electronic structure.

  20. Structure, processing, and properties of potatoes

    NASA Technical Reports Server (NTRS)

    Lloyd, Isabel K.; Kolos, Kimberly R.; Menegaux, Edmond C.; Luo, Huy; Mccuen, Richard H.; Regan, Thomas M.

    1992-01-01

    The objective of this experiment and lesson intended for high school students in an engineering or materials science course or college freshmen is to demonstrate the relation between processing, structure, and thermodynamic and physical properties. The specific objectives are to show the effect of structure and structural changes on thermodynamic properties (specific heat) and physical properties (compressive strength); to illustrate the first law of thermodynamics; to compare boiling a potato in water with cooking it in a microwave in terms of the rate of structural change and the energy consumed to 'process' the potato; and to demonstrate compression testing.

  1. Structural organization of mammalian prions as probed by limited proteolysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The GPI- transgenic mouse model was used to study the structure of GPI- prions. We obtained valuable information about the structure of prions by performing limited proteolysis of the GPI- prions and analyzing the results by mass spectrometry and Western blot. This information coupled with previous ...

  2. Probing Flexural Properties of Cellulose Nanocrystal-Graphene Nanomembranes with Force Spectroscopy and Bulging Test.

    PubMed

    Kim, Sunghan; Xiong, Rui; Tsukruk, Vladimir V

    2016-05-31

    The flexural properties of ultrathin freely standing composite nanomembranes from reduced graphene oxide (rGO) and cellulose nanocrystals (CNC) have been probed by combining force spectroscopy for local nanomechanical properties and bulging test for global mechanical properties. We observed that the flexural properties of these rGO-CNC nanomembranes are controlled by rGO content and deformational regimes. The nanomembranes showed the enhanced mechanical properties due to the strong interfacial interactions between interwoven rGO and CNC components. The presence of weak interfacial interactions resulted in time-dependent behavior with the relaxation time gradually decreased with increasing the deformational rate owing to the reducing viscous damping at faster probing regimes close to 10 Hz. We observed that the microscopic elastic bending modulus of 141 GPa from local force spectroscopy is close to the elastic tensile modulus evaluated from macroscopic bulging test, indicating the consistency of both approaches for analyzing the ultrathin nanomembranes at different spatial scales of deformation. We showed that the flexible rGO-CNC nanomembranes are very resilient in terms of their capacity to recover back into original shape. PMID:27149011

  3. A Study of the Structure of the Source Region of the Solar Wind in Support of a Solar Probe Mission

    NASA Technical Reports Server (NTRS)

    Habbal , Shadia R.

    1998-01-01

    Despite the richness of the information about the physical properties and the structure of the solar wind provided by the Ulysses and SOHO observations, fundamental questions regarding the nature of the coronal heating mechanisms, their source, and the manifestations of the fast and slow solar wind, still remain unanswered. The last unexplored frontier to establish the connection between the structure and dynamics of the solar atmosphere, its extension into interplanetary space, and the mechanisms responsible for the evolution of the solar wind, is the corona between 1 and 30 R(sub s). A Solar Probe mission offers an unprecedented opportunity to explore this frontier. The uniqueness of this mission stems from its trajectory in a plane perpendicular to the ecliptic which reaches within 9 R(sub s), of the solar surface over the poles and 3 - 9 R(sub s), at the equator. With a complement of simultaneous in situ and remote sensing observations, this mission is destined to have a significant impact on our understanding of the fundamental processes that heat the corona and drive the solar wind. The Solar Probe should be able to detect remnants and signatures of the processes which heat the corona and accelerate the solar wind. The primary objective of this proposal was to explore the structure of the different source regions of the solar wind through complementary observational and theoretical studies in support of a Solar Probe mission.

  4. High-K States as a Probe of Nuclear Structure

    NASA Astrophysics Data System (ADS)

    Dracoulis, G. D.

    High-K states played a key part in the discovery and understanding of deformed nuclei. An example is given of the recent use of high-K states as a signature of axially-symmetric prolate deformation in a nucleus which is predicted to show co-existence between spherical, oblate and prolate shapes. When associated bands can be identified, high-K states can also be used as a probe of pairing, and its modifiication of rotational motion. New results in 178W imply that the underlying rigid moment-of-inertia revealed when orbits are blocked to form multi-quasiparticle high-K states is substantially less than the “classical” rigid-body value. The corollary is that static pairing is quenched when only a few orbits are blocked. Recent measurements of g-factors in related high-K states in 179W allow the extraction of gR values whose behaviour as a function of seniority agrees with this suggestion.

  5. Structure and physical properties of silkworm cocoons

    PubMed Central

    Chen, Fujia; Porter, David; Vollrath, Fritz

    2012-01-01

    Silkworm cocoons have evolved a wide range of different structures and combinations of physical and chemical properties in order to cope with different threats and environmental conditions. We present our observations and measurements on 25 diverse types of cocoons in a first attempt to correlate physical properties with the structure and morphology of the cocoons. These two architectural parameters appear to be far more important than the material properties of the silk fibres themselves. We consider tensile and compressive mechanical properties and gas permeation of the cocoon walls, and in each case identify mechanisms or models that relate these properties to cocoon structure, usually based upon non-woven fibre composites. These properties are of relevance also for synthetic non-woven composite materials and our studies will help formulate bio-inspired design principles for new materials. PMID:22552916

  6. Probing Properties of Glassy Water and Other Liquids with Site Selective Spectroscopies

    SciTech Connect

    Nhan Chuong Dang

    2005-08-12

    The standard non-photochemical hole burning (NPHB) mechanism, which involves phonon-assisted tunneling in the electronically excited state, was originally proposed to explain the light-induced frequency change of chemically stable molecules in glassy solids at liquid helium temperatures by this research group more than two decades ago. The NPHB mechanism was then further elucidated and the concept of intrinsic to glass configurational relaxation processes as pre-mediating step to the hole burning process was introduced. The latter provided the theoretical basis for NPHB to evolve into a powerful tool probing the dynamics and nature of amorphous media, which aside from ''simple'' inorganic glasses may include also ''complex'' biological systems such as living cells and cancerous/normal tissues. Presented in this dissertation are the experimental and theoretical results of hole burning properties of aluminum phthalocyanine tetrasulphonate (APT) in several different matrices: (1) hyperquenched glassy water (HGW); (2) cubic ice (I{sub c}); and (3) water confined into poly(2-hydroxyethylmethacrylate) (poly-HEMA). In addition, results of photochemical hole burning (PHB) studies obtained for phthalocyanine tetrasulphonate (PcT) in HGW and free base phthalocyanine (Pc) in ortho-dichlorobenzene (DCB) glass are reported. The goal of this dissertation was to provide further evidence supporting the NPHB mechanism and to provide more insight that leads to a better understanding of the kinetic events (dynamics) in glasses, and various dynamical processes of different fluorescent chromorphores in various amorphous solids and the liquid that exist above the glass transition temperature (T{sub g}). The following issues are addressed in detail: (1) time evolution of hole being burned under different conditions and in different hole burning systems; (2) temperature dependent hole profile; and (3) the structure/dynamics of water in confined space, which has been studied, in part

  7. New hairpin-structured DNA probes: alternatives to classical molecular beacons

    NASA Astrophysics Data System (ADS)

    Friedrich, Achim; Habl, Gregor; Sauer, Markus; Wolfrum, Jürgen; Hoheisel, Jörg; Marmé, Nicole; Knemeyer, Jens-Peter

    2007-02-01

    In this article we report on two different classes of self-quenching hairpin-structured DNA probes that can be used as alternatives to Molecular Beacons. Compared to other hairpin-structured DNA probes, the so-called smart probes are labeled with only one extrinsic dye. The fluorescence of this dye is efficiently quenched by intrinsic guanine bases via a photo-induced electron transfer reaction in the closed hairpin. After hybridization to a target DNA, the distance between dye and the guanines is enlarged and the fluorescence is restored. The working mechanism of the second class of hairpin DNA probes is similar, but the probe oligonucleotide is labeled at both ends with an identical chromophore and thus the fluorescence of the closed hairpin is reduced due to formation of non-fluorescent dye dimers. Both types of probes are appropriate for the identification of single nucleotide polymorphisms and in combination with confocal single-molecule spectroscopy sensitivities in the picomolar range can be achieved.

  8. Properties of polyethylene glycol/cyclodextrin hydrogels revealed by spin probes and spin labelling methods.

    PubMed

    Ionita, Gabriela; Ariciu, Ana Maria; Turcu, Ioana Maria; Chechik, Victor

    2014-03-21

    The properties of a gel consisting of a covalent network formed by the reaction of isocyanate end-capped polyethylene glycol (PEG) with β-cyclodextrin, were investigated by EPR spectroscopy. Spin-labelled cyclodextrin was incorporated into the cross-link points of the gel and at the chain ends. The dynamics of the gel fibres as reported by the spin label, was found to be sensitive to the H-bonding ability of the solvent, density of cross-links and temperature. Addition of spin probes (e.g., TEMPO and adamantane-TEMPO) to the unlabelled gel made it possible to characterise the solvent pools in the gel. While TEMPO was uniformly distributed throughout the solvent pools, the adamantane derivative was located at the gel fibre-solvent pool interface; these two probes thus reported on the different locations in the solvent pools. At low temperature, the gels were shown to prevent ice crystallisation in the solvent pools resulting in the formation of supercooled water. Both probes showed that the water froze at ca. 250 K, thus suggesting that the properties of the supercooled water are uniform across the solvent pools. PMID:24651650

  9. Probing mechanical properties of living cells by atomic force microscopy with blunted pyramidal cantilever tips.

    PubMed

    Rico, Félix; Roca-Cusachs, Pere; Gavara, Núria; Farré, Ramon; Rotger, Mar; Navajas, Daniel

    2005-08-01

    Atomic force microscopy (AFM) allows the acquisition of high-resolution images and the measurement of mechanical properties of living cells under physiological conditions. AFM cantilevers with blunted pyramidal tips are commonly used to obtain images of living cells. Measurement of mechanical properties with these tips requires a contact model that takes into account their blunted geometry. The aim of this work was to develop a contact model of a blunted pyramidal tip and to assess the suitability of pyramidal tips for probing mechanical properties of soft gels and living cells. We developed a contact model of a blunted pyramidal tip indenting an elastic half-space. We measured Young's modulus (E) and the complex shear modulus (G*= G' +i G" ) of agarose gels and A549 alveolar epithelial cells with pyramidal tips and compared them with those obtained with spherical tips. The gels exhibited an elastic behavior with almost coincident loading and unloading force curves and negligible values of G". E fell sharply with indentation up to approximately 300 nm , showing a linear regime for deeper indentations. A similar indentation dependence of E with twofold lower values at the linear regime was obtained with the spherical tip fitted with Hertz's model. The dependence of E on indentation in cells paralleled that found in gels. Cells exhibited viscoelastic behavior with G"/G' approximately 1/4 . Pyramidal tips commonly used for AFM imaging are suitable for probing mechanical properties of soft gels and living cells. PMID:16196611

  10. Luminescent and redox probes of structure and dynamics in quaternized poly(4-vinylpyridine) films on electrodes

    SciTech Connect

    Oh, Seungmo; Faulkner, L.R. )

    1989-07-19

    The properties of partially quaternized poly(4-vinylpyridine) films have been studied by coordinatively attaching luminescent and redox probes to free pyridine units within the polymer. Samples were examined as thin films spin coated onto glass or electrodes. The luminescent moiety was Re(CO){sub 3}(phen) (phen = 1,10-phenanthroline). It showed properties that depended strongly on the identity of the anion in the supporting electrolyte adjacent to the film. The emission maximum shifted to the red, and the quantum yield decreased in the order dry film > 0.1 M NaClO{sub 4} > 0.1 M potassium p-toluenesulfonate > 0.1 M KNO{sub 3}. The isotope effect caused by changing the solvent from H{sub 2}O to D{sub 2}O fell in the reverse order. The results show that the anion has a large impact on film structure. In nitrate the films are strongly hydrated, but in perchlorate they are dry and compact. The redox moiety was Ru(bpy){sub 2}Cl{sup 2+/1+}. The activation energies for electron diffusion in the network of redox centers were assessed by temperature-resolved chronocoulometry. The activation energies were independent of the concentration of redox centers in the film but were ordered according to electrolyte as given above. They were roughly linearly dependent on the degree of chemical cross-linking. The permeabilities of the films to redox-active ions in solution were larger than the electron diffusion coefficients by an order of magnitude but were strongly dependent on the anion of the supporting electrolyte, inversely in the order given above. The results suggest that electron diffusion is controlled by segmental motions within the polymer and that the anion dependence is a structural effect.

  11. Probing the local structure of high-{Tc} superconductors using XAFS spectroscopy

    SciTech Connect

    Bridges, F.; Booth, C.H.; Li, G.G.; Bauer, E.D.; Boyce, J.; Claeson, T.

    1996-12-31

    X-ray Absorption Fine-Structure (XAFS) is a local structural probe that is complementary to diffraction techniques. The authors discuss the types of information that can be obtained using this probe and then consider several examples, including the distortion about Co in YBa{sub 2}Cu{sub 3}O{sub 7} (YBCO), an unusual negative correlation of atom pair displacements in HgBa{sub 2}CuO{sub 4+{delta}}, and the distortions about the O(4) atom in thin films and single crystals of YBCO.

  12. Using probe secondary structure information to enhance Affymetrix GeneChip background estimates

    PubMed Central

    Gharaibeh, Raad Z.; Fodor, Anthony A.; Gibas, Cynthia J.

    2007-01-01

    High-density short oligonucleotide microarrays are a primary research tool for assessing global gene expression. Background noise on microarrays comprises a significant portion of the measured raw data. A number of statistical techniques have been developed to correct for this background noise. Here, we demonstrate that probe minimum folding energy and structure can be used to enhance a previously existing model for background noise correction. We estimate that probe secondary structure accounts for up to 3% of all variation on Affymetrix microarrays. PMID:17387043

  13. Probing RNA tertiary structure: interhelical crosslinking of the hammerhead ribozyme.

    PubMed Central

    Sigurdsson, S T; Tuschl, T; Eckstein, F

    1995-01-01

    Distinct structural models for the hammerhead ribozyme derived from single-crystal X-ray diffraction and fluorescence resonance energy transfer (FRET) measurements have been compared. Both models predict the same overall geometry, a wishbone shape with helices II and III nearly colinear and helix I positioned close to helix II. However, the relative orientations of helices I and II are different. To establish whether one of the models represents a kinetically active structure, a new crosslinking procedure was developed in which helices I and II of hammerhead ribozymes were disulfide-crosslinked via the 2' positions of specific sugar residues. Crosslinking residues on helices I and II that are close according to the X-ray structure did not appreciably reduce the catalytic efficiency. In contrast, crosslinking residues closely situated according to the FRET model dramatically reduced the cleavage rate by at least three orders of magnitude. These correlations between catalytic efficiencies and spatial proximities are consistent with the X-ray structure. PMID:7489517

  14. Variation of local atomic structure due to devitrification of Ni-Zr alloy thin films probed by EXAFS measurements

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Debarati; Tiwari, Nidhi; Bhattacharyya, Dibyendu; Jha, S. N.; Basu, S.

    2016-05-01

    Thin film metallic glasses (TFMGs) exhibit properties superior to their bulk counterparts allowing them to be potentially useful in many practical applications. Apart from their technological interest, when converted to crystallized state (devitrification) TFMGs can also act as precursors for partially crystallized or fully crystallized forms. Such devitrified forms are attractive due to their novel structural and magnetic properties. The amorphous-to-crystalline transformation of co-sputtered Ni-Zr alloy thin films through annealing was studied using EXAFS (Extended X-ray Absorption Fine Structure) measurements. Investigation through an atomic probe gives a better insight into the local environment of the atomic species, rendering a deeper understanding of thermal evolution of such materials.

  15. Black Hole Mergers as Probes of Structure Formation

    NASA Technical Reports Server (NTRS)

    Alicea-Munoz, Emily

    2008-01-01

    Observations of gravitational waves from massive black hole (MBH) mergers can provide us with important clues about the era of structure formation in the early universe. Previous research in this field has been limited to calculating merger rates of MBHs using different models where many assumptions are made about the specific values of physical parameters of the mergers, resulting in merger rate estimates that span 5 to 6 orders of magnitude. We develop a semi-analytical, phenomenological model that includes plausible combinations of several physical parameters involved in the mergers. which we then turn around to determine how well LISA observations will be able to enhance our understanding of the universe during the critical z approximately equal to 5-30 structure formation era. We do this by generating synthetic LISA observable data (masses, redshifts, merger rates), which are then analyzed using a Markov Chain Monte Carlo (MCMC) method. This allows us to constrain the physical parameters of the mergers.

  16. Probes of large-scale structure in the universe

    NASA Technical Reports Server (NTRS)

    Suto, Yasushi; Gorski, Krzysztof; Juszkiewicz, Roman; Silk, Joseph

    1988-01-01

    A general formalism is developed which shows that the gravitational instability theory for the origin of the large-scale structure of the universe is now capable of critically confronting observational results on cosmic background radiation angular anisotropies, large-scale bulk motions, and large-scale clumpiness in the galaxy counts. The results indicate that presently advocated cosmological models will have considerable difficulty in simultaneously explaining the observational results.

  17. Multi-Probe Investigation of Proteomic Structure of Pathogens

    SciTech Connect

    Malkin, A J; Plomp, M; Leighton, T J; Vogelstein, B; Wheeler, K E

    2008-01-24

    Complete genome sequences are available for understanding biotransformation, environmental resistance and pathogenesis of microbial, cellular and pathogen systems. The present technological and scientific challenges are to unravel the relationships between the organization and function of protein complexes at cell, microbial and pathogens surfaces, to understand how these complexes evolve during the bacterial, cellular and pathogen life cycles, and how they respond to environmental changes, chemical stimulants and therapeutics. In particular, elucidating the molecular structure and architecture of human pathogen surfaces is essential to understanding mechanisms of pathogenesis, immune response, physicochemical interactions, environmental resistance and development of countermeasures against bioterrorist agents. The objective of this project was to investigate the architecture, proteomic structure, and function of bacterial spores through a combination of high-resolution in vitro atomic force microscopy (AFM) and AFM-based immunolabeling with threat-specific antibodies. Particular attention in this project was focused on spore forming Bacillus species including the Sterne vaccine strain of Bacillus anthracis and the spore forming near-neighbor of Clostridium botulinum, C. novyi-NT. Bacillus species, including B. anthracis, the causative agent of inhalation anthrax are laboratory models for elucidating spore structure/function. Even though the complete genome sequence is available for B. subtilis, cereus, anthracis and other species, the determination and composition of spore structure/function is not understood. Prof. B. Vogelstein and colleagues at the John Hopkins University have recently developed a breakthrough bacteriolytic therapy for cancer treatment (1). They discovered that intravenously injected Clostridium novyi-NT spores germinate exclusively within the avascular regions of tumors in mice and destroy advanced cancerous lesions. The bacteria were also

  18. Probing Temporal Structures in the Nonstationarity of Physiological Signals

    NASA Astrophysics Data System (ADS)

    Ivanov, Plamen Ch.; Bernaola-Galvan, Pedro; Amaral, Luis A. N.; Goldberger, Ary L.; Stanley, H. Eugene

    2000-03-01

    We ask if there is an element of complexity to the nonstationarity in physiological signals. We hypothesise that appearence of segments with different mean values in the signal is related to different physiologic responses to external stimuli. We focus on the statistical properties and temporal organization of segments in the signal with well defined mean, significantly different from the mean of the adjacent segments. For that we subdivide heartbeat time series in such a way as to maximize the difference in the mean values between adjacent segments. To identify different segments we develop a new technique based on the Student's statistics. We observe that the distribution of the lenghts of segments follows a power law for the data during wake activity from both healthy subjects and patients with congestive heart failure. Data from both groups during sleep showes a breakdown in this power-law behavior with a crossover at lenght at ≈ 300 beats.

  19. Relaxation, Structure, and Properties of Semicoherent Interfaces

    NASA Astrophysics Data System (ADS)

    Shao, S.; Wang, J.

    2016-01-01

    Materials containing a high density of interfaces are promising candidates for future energy technologies because interfaces acting as sources, sinks, and barriers for defects can improve mechanical and irradiation properties of materials. A semicoherent interface widely occurring in various materials is composed of a network of misfit dislocations and coherent regions separated by misfit dislocations. In this article, we review the relaxation mechanisms, structure, and properties of (111) semicoherent interfaces in face-centered cubic structures.

  20. Probing and extracting the structure of vibrating SF6 molecules with inner-shell photoelectrons

    NASA Astrophysics Data System (ADS)

    Nguyen, Ngoc-Ty; Lucchese, R. R.; Lin, C. D.; Le, Anh-Thu

    2016-06-01

    We propose a scheme for probing the structure of vibrating molecules with photoelectrons generated from ultrashort soft-x-ray pulses. As an example we analyze below-100-eV photoelectrons liberated from the S (2 p ) orbital of vibrating SF6 molecules to image very small structural changes of molecular vibration. In particular, photoionization cross sections and photoelectron angular distributions (PAD) at nonequilibrium geometries can be retrieved accurately with photoelectrons near the shape resonance at 13 eV. This is achieved with a pump-probe scheme, in which the symmetric stretch mode is first Raman excited predominantly by a relatively short laser pulse and then later probed at different time delays by a few-femtosecond soft-x-ray pulse with photon energy near 200 eV.

  1. Probing asymmetric structures in the outskirts of galaxies

    SciTech Connect

    Wen, Zhang Zheng; Zheng, Xian Zhong; An, Fang Xia E-mail: xzzheng@pmo.ac.cn

    2014-06-01

    Upcoming large imaging surveys will allow detailed studies of the structure and morphology of galaxies aimed at addressing how galaxies form and evolve. Computational approaches are needed to characterize their morphologies over large samples. We introduce an automatic method to quantify the outer structure of galaxies. The key to our approach is the division of a galaxy image into two sections delineated by the isophote, which encloses half the total brightness of the galaxy. We call the central section the inner half-flux region (IHR) and the outer section the outer half-flux region (OHR). From this division, we derive two parameters: A {sub o}, which measures the asymmetry of the OHR, and D {sub o}, which measures the deviation of the intensity weighted centroid of the OHR from that of the IHR relative to the effective radius. We derive the two parameters from HST/ACS z {sub 850}-band images for a sample of 764 galaxies with z {sub 850} < 22 mag and 0.35 < z < 0.9 selected from the GEMS and GOODS-South surveys. We show that the sample galaxies having strong asymmetric structures, particularly tidal tails, are well-separated from those with regular morphologies in the A {sub o}-D {sub o} space. Meanwhile, the widely used CAS and Gini-M {sub 20} methods turn out to be insensitive to such morphological features. We stress that the A {sub o}-D {sub o} method is an efficient way to select galaxies with significant asymmetric features like tidal tails and study galaxy mergers in the dynamical phase traced by these delicate features.

  2. Black Hole Mergers as Probes of Structure Formation

    NASA Technical Reports Server (NTRS)

    Alicea-Munoz, E.; Miller, M. Coleman

    2008-01-01

    Intense structure formation and reionization occur at high redshift, yet there is currently little observational information about this very important epoch. Observations of gravitational waves from massive black hole (MBH) mergers can provide us with important clues about the formation of structures in the early universe. Past efforts have been limited to calculating merger rates using different models in which many assumptions are made about the specific values of physical parameters of the mergers, resulting in merger rate estimates that span a very wide range (0.1 - 104 mergers/year). Here we develop a semi-analytical, phenomenological model of MBH mergers that includes plausible combinations of several physical parameters, which we then turn around to determine how well observations with the Laser Interferometer Space Antenna (LISA) will be able to enhance our understanding of the universe during the critical z 5 - 30 structure formation era. We do this by generating synthetic LISA observable data (total BH mass, BH mass ratio, redshift, merger rates), which are then analyzed using a Markov Chain Monte Carlo method. This allows us to constrain the physical parameters of the mergers. We find that our methodology works well at estimating merger parameters, consistently giving results within 1- of the input parameter values. We also discover that the number of merger events is a key discriminant among models. This helps our method be robust against observational uncertainties. Our approach, which at this stage constitutes a proof of principle, can be readily extended to physical models and to more general problems in cosmology and gravitational wave astrophysics.

  3. Dual-cycle dielectrophoretic collection rates for probing the dielectric properties of nanoparticles

    PubMed Central

    Bakewell, David J; Holmes, David

    2013-01-01

    A new DEP spectroscopy method and supporting theoretical model is developed to systematically quantify the dielectric properties of nanoparticles using continuously pulsed DEP collection rates. Initial DEP collection rates, that are dependent on the nanoparticle dielectric properties, are an attractive alternative to the crossover frequency method for determining dielectric properties. The new method introduces dual-cycle amplitude modulated and frequency-switched DEP (dual-cycle DEP) where the first collection rate with a fixed frequency acts as a control, and the second collection rate frequency is switched to a chosen value, such that, it can effectively probe the dielectric properties of the nanoparticles. The application of the control means that measurement variation between DEP collection experiments is reduced so that the frequency-switched probe collection is more effective. A mathematical model of the dual-cycle method is developed that simulates the temporal dynamics of the dual-cycle DEP nanoparticle collection system. A new statistical method is also developed that enables systematic bivariate fitting of the multifrequency DEP collection rates to the Clausius–Mossotti function, and is instrumental for determining dielectric properties. A Monte-Carlo simulation validates that collection rates improve estimation of the dielectric properties, compared with the crossover method, by exploiting a larger number of independent samples. Experiments using 200 nm diameter latex nanospheres suspended in 0.2 mS/m KCl buffer yield a nanoparticle conductivity of 26 mS/m that lies within 8% of the expected value. The results show that the dual-frequency method has considerable promise particularly for automated DEP investigations and associated technologies. PMID:23172363

  4. CP Stars - probing stellar surface structure with BRITE Constellation

    NASA Astrophysics Data System (ADS)

    Lüftinger, T.; Weiss, W. W.

    2008-01-01

    More than 170 chemically peculiar (CP) stars will be observable by BRITE Constellation. These stars host a complex interplay of phenomena like strong magnetic fields, chemical diffusion, pulsation and rotation in the same object. Thus they serve as unique stellar laboratories where we can observe the correlation and interaction of these fundamental physical processes. We present here a summary of the unique potentials BRITE Constellation offers to obtain new insights in the atmospheric structure formation and the complex interplay of abundance variations, pulsation and magnetic fields under conditions that could never be reproduced on Earth.

  5. Probing the Absorption Structures in Seyfert Galaxies with X-ray Spectroscopy

    NASA Astrophysics Data System (ADS)

    Gelbord, J.

    2001-12-01

    The paradigm of the unified model for Seyfert galaxies has had many successes in explaining the range of phenomena observed in active galaxies. However, the structures invoked in this scenario have been difficult to observe due to their limited sizes and due to contaminating flux from other regions. As a result, some of these structures, notably the putative obscuring torus, are poorly constrained. The difficulty in isolating the emission from the central regions can be mitigated (but not eliminated!) by focusing upon high-energy radiation, which is dominated by direct and reprocessed radiation from the nuclear region. We have drawn upon the large number of X-ray spectra available in the ASCA archive in order to study the distribution of properties in a large sample of high-energy observations. Furthermore, by uniformly processing the data ourselves, we minimize systematic effects. One asset of X-rays is that they provide a sensitive probe of absorbers in the line of sight toward the central region, because photoelectric absorption cuts off the continuum at low energies. In the ASCA bandpass column densities of ~1021-23 cm-2 can be measured. This is an interesting range of densities because it allows us to distinguish between absorption in a torus or possibly a warped accretion disk (where column densities are expected to be high) and absorption taking place at larger scales in the host galaxy (where column densities are expected to be closer to Galactic values of 1020-21 cm-2). This data is then compared to data from other wavebands. Published radio studies (e.g.: Nagar & Wilson 1999, Kinney et al. 2000) have put constraints on the orientations of the accretion systems in Seyfert galaxies. We combine these and the X-ray measurements for the ~50 sources in these studies which have ASCA data in order to constrain the various possible absorption structures and test the unification scenario.

  6. Design, synthesis, and characterization of novel nanowire structures for photovoltaics and intracellular probes.

    PubMed

    Tian, Bozhi; Lieber, Charles M

    2011-01-01

    Semiconductor nanowires (NWs) represent a unique system for exploring phenomena at the nanoscale and are expected to play a critical role in future electronic, optoelectronic, and miniaturized biomedical devices. Modulation of the composition and geometry of nanostructures during growth could encode information or function, and realize novel applications beyond the conventional lithographical limits. This review focuses on the fundamental science aspects of the bottom-up paradigm, which are synthesis and physical property characterization of semiconductor NWs and NW heterostructures, as well as proof-of-concept device concept demonstrations, including solar energy conversion and intracellular probes. A new NW materials synthesis is discussed and, in particular, a new "nanotectonic" approach is introduced that provides iterative control over the NW nucleation and growth for constructing 2D kinked NW superstructures. The use of radial and axial p-type/intrinsic/n-type (p-i-n) silicon NW (Si-NW) building blocks for solar cells and nanoscale power source applications is then discussed. The critical benefits of such structures and recent results are described and critically analyzed, together with some of the diverse challenges and opportunities in the near future. Finally, results are presented on several new directions, which have recently been exploited in interfacing biological systems with NW devices. PMID:22707797

  7. Design, synthesis, and characterization of novel nanowire structures for photovoltaics and intracellular probes*

    PubMed Central

    Lieber, Charles M.

    2012-01-01

    Semiconductor nanowires (NWs) represent a unique system for exploring phenomena at the nanoscale and are expected to play a critical role in future electronic, optoelectronic, and miniaturized biomedical devices. Modulation of the composition and geometry of nanostructures during growth could encode information or function, and realize novel applications beyond the conventional lithographical limits. This review focuses on the fundamental science aspects of the bottom-up paradigm, which are synthesis and physical property characterization of semiconductor NWs and NW heterostructures, as well as proof-of-concept device concept demonstrations, including solar energy conversion and intracellular probes. A new NW materials synthesis is discussed and, in particular, a new “nanotectonic” approach is introduced that provides iterative control over the NW nucleation and growth for constructing 2D kinked NW superstructures. The use of radial and axial p-type/intrinsic/n-type (p-i-n) silicon NW (Si-NW) building blocks for solar cells and nanoscale power source applications is then discussed. The critical benefits of such structures and recent results are described and critically analyzed, together with some of the diverse challenges and opportunities in the near future. Finally, results are presented on several new directions, which have recently been exploited in interfacing biological systems with NW devices. PMID:22707797

  8. Macromolecular properties and polymeric structure of canine tracheal mucins.

    PubMed Central

    Shankar, V; Virmani, A K; Naziruddin, B; Sachdev, G P

    1991-01-01

    Two high-Mr mucus glycoproteins (mucins), CTM-A and CTM-B, were highly purified from canine tracheal pouch secretions, and their macromolecular properties as well as polymeric structure were investigated. On SDS/composite-gel electrophoresis, a diffuse band was observed for each mucin. Polyacrylamide-gel electrophoresis using 6% gels also showed the absence of low-Mr contaminants in the mucins. Comparison of chemical and amino acid compositions revealed significant differences between the two mucins. Using a static-laser-light-scattering technique, CTM-A and CTM-B were found to have weight-average Mr values of about 11.0 x 10(6) and 1.4 x 10(6) respectively. Both mucins showed concentration-dependent aggregation in buffer containing 6 M-guanidine hydrochloride. Under similar experimental conditions, reduced-alkylated CTM-A had an Mr of 5.48 x 10(6) and showed no concentration-dependent aggregation. Hydrophobic properties of the mucins, investigated by the fluorescent probe technique using mansylphenylalanine as the probe, showed the presence of a large number of low-affinity (KD approx. 10(5) M) binding sites. These sites appeared to be located on the non-glycosylated regions of the protein core, since Pronase digestion of the mucins almost completely eliminated probe binding. Reduction of disulphide bonds of CTM-A and CTM-B did not significantly alter the probe-binding properties. Also, addition of increasing NaCl concentrations (0.03-1.0 M) to the buffer caused only a small change in the hydrophobic properties of native and reduced-alkylated mucins. CTM-A was deglycosylated, without notable in the hydrophobic properties of native and reduced-alkylated mucins. CTM-A was deglycosylated, without notable degradation, using a combination of chemical and enzymic methods. On SDS/PAGE the protein core was estimated to have an Mr of approx. 60,000. On the basis of the protein and carbohydrate contents of the major mucin CTM-A, the mucin monomer was calculated to have an

  9. Probing microscopic structure and braid statistics in rotating Bose gases

    NASA Astrophysics Data System (ADS)

    Zhao, Jianshi; Jacome, Louis; Gemelke, Nathan

    2015-05-01

    It has been predicted that interacting bosonic atoms confined in a rapidly rotating two dimensional harmonic trap exhibit ground states analogous to fractional quantum Hall (FQH) states, and exhibit non-Landau-Ginzburg order and long range entanglement. Some of these states are expected to have excitations which possess fractional statistics, although no convincing measurement has yet been made. We describe an experiment which seeks to realize FQH physics using cold Rb-87 atoms confined to an optical lattice with rotating lattice sites. In these experiments, FQH droplets can be imaged using two high-resolution quantum gas microscopes (N.A. = 0.4, 0.8) which allow for occupancy resolved measurements, imaging in three dimensions, and expand on previous measurements by providing an unambiguous identification of states through microscopic time-of-flight. The latter permits identification of novel properties through counting statistics - using impurity atoms (in a minority spin state), pair correlation measurements can reveal an effectively fractionalized relative angular momentum, indicative of fractionalized braid statistics. Supported by NSF Grant No. PHY-1068570.

  10. Structural properties of compact groups

    NASA Technical Reports Server (NTRS)

    De Carvalho, R. R.; Ribeiro, A. L. B.; Zepf, Stephen E.

    1994-01-01

    We report the results of a systematic study of galaxies in the regions of Hickson compact groups. Our sample is composed of the 22 Hickson groups which are located in the southern hemisphere and have cz less than 9000 km/s. Making use of digitized images of IIIa-J plates that cover an area of 0.5 x 0.5 deg around each group, we were able to detect and classify images down to a magnitude limit of 19.5 in the B band. This limit is typically three magnitudes fainter than previous studies. Most groups show a statistically significant excess of fainter galaxies compared to the background. These fainter galaxies typically have a somewhat more extended spatial distribution than the brighter galaxies originally classified by Hickson. Our data suggest that Hickson groups have a wide range in density and radius, ranging from very compact structures with overdensities of the order of 10(exp 2) and crossing times of roughly 0.01 H(sub 0 sup -1), to much more diffuse structures, similar to loose groups, with overdensities of about 3 and crossing times of roughly 0.5 H(sub 0 sup -1).

  11. Probing Atomic Dynamics and Structures Using Optical Patterns

    NASA Astrophysics Data System (ADS)

    Schmittberger, Bonnie L.; Gauthier, Daniel J.

    2015-05-01

    Pattern formation is a widely studied phenomenon that can provide fundamental insights into nonlinear systems. Emergent patterns in cold atoms are of particular interest in condensed matter physics and quantum information science because one can relate optical patterns to spatial structures in the atoms. In our experimental system, we study multimode optical patterns generated from a sample of cold, thermal atoms. We observe this nonlinear optical phenomenon at record low input powers due to the highly nonlinear nature of the spatial bunching of atoms in an optical lattice. We present a detailed study of the dynamics of these bunched atoms during optical pattern formation. We show how small changes in the atomic density distribution affect the symmetry of the generated patterns as well as the nature of the nonlinearity that describes the light-atom interaction. We gratefully acknowledge the financial support of the National Science Foundation through Grant #PHY-1206040.

  12. Flux properties in Bi-2212 single crystals studied by spin-probe ESR

    NASA Astrophysics Data System (ADS)

    Nishida, Akihiko; Taka, Chihiro; Yasuda, Takashi; Horai, Kazumi

    2000-07-01

    Flux properties in Bi 2Sr 2CaCu 2O 8+ x (Bi-2212) single crystals are studied by spin-probe method. ESR line widths of a very thin layer of DPPH free radical on the surface of the crystals begin to increase upon the superconducting transitions. At further low temperatures below irreversibility lines, distinct hysteresis is observed between ESR profiles for field increase and decrease. The resonance fields and intensities also indicate characteristic changes. Close correlations between ESR anomalies and vortex behaviors are discussed, comparing results of as-grown and optimally doped crystals.

  13. Nanoscale electrical property studies of individual GeSi quantum rings by conductive scanning probe microscopy

    PubMed Central

    2012-01-01

    The nanoscale electrical properties of individual self-assembled GeSi quantum rings (QRs) were studied by scanning probe microscopy-based techniques. The surface potential distributions of individual GeSi QRs are obtained by scanning Kelvin microscopy (SKM). Ring-shaped work function distributions are observed, presenting that the QRs' rim has a larger work function than the QRs' central hole. By combining the SKM results with those obtained by conductive atomic force microscopy and scanning capacitance microscopy, the correlations between the surface potential, conductance, and carrier density distributions are revealed, and a possible interpretation for the QRs' conductance distributions is suggested. PMID:23194252

  14. Synthetic melanin thin films: Structural and electrical properties

    NASA Astrophysics Data System (ADS)

    da Silva, M. I. N.; Dezidério, S. N.; Gonzalez, J. C.; Graeff, C. F. O.; Cotta, M. A.

    2004-11-01

    Scanning probe microscopy was used to investigate the structural and electrical organization at the nanoscopic level of hydrated melanin thin films synthesized by oxidizing L-3-(3,4-dihydroxyphenyl)-alanine (L-dopa) in dimethyl sulfoxide. Atomic force microscopy (AFM) provided the morphologies of the L-dopa melanin films. Electrostatic force microscopy and conductive-AFM were used to spatially resolve the electrical properties of the material. Using a simple parallel plate capacitor model a method to measure the charge distribution on the sample was developed. The correlations between topography, electric charge, and current images of the sample demonstrated that the hydration process produces a restructuring of melanin observed not only through topographic variations, but also through the creation of areas with different electrical properties.

  15. Structure and properties of solid surfaces

    NASA Technical Reports Server (NTRS)

    Gatos, H. C.

    1974-01-01

    Difficulties in experimental studies of crystalline surfaces are related to the fact that surface atoms have an intrinsic tendency to react with their environment. A second problem is connected with the effective thickness of surfaces, which ranges from one to several atom layers. The phenomenology of surface interactions with gases are considered, taking into account physical adsorption, chemisorption, and the oxidation of surfaces. Studies of the surface structure are discussed, giving attention to field emission microscopy, field-ion microscopy, electron diffraction techniques, Auger spectroscopy, scanning electron microscopy, electron probe microanalysis, ion microprobe methods, and low-energy backscattering spectroscopy. Investigations of semiconductor surfaces are also described.

  16. Structural Properties of Mismatched Alloys

    NASA Astrophysics Data System (ADS)

    Mousseau, Normand

    The problem of understanding the local structure of disordered alloys has been around for a long time. In this thesis, I look more specifically at the effect of size-mismatch disorder in binary alloys under many forms: metallic and semiconductor alloys, bulk and surfaces, two and three dimensional systems. I have studied the limitations of a central-force model (CFM) and an embedded-atom potential (EAM) in describing the local structure of binary metallic alloys composed of Ag, Au, Cu, Ni, Pd, or Pt. Although an analytical model developed using the CFM explains qualitatively well the experimental and numerical results, in many cases, it is important to add electronic density effects through a more sophisticated potential like EAM in order to agree quantitatively with experiment. I have also looked at amorphous and crystalline silicon-germanium alloys. It turns out that the effect of size-mismatch is the same on a crystalline and an amorphous lattice. In the latter case, it can be seen as a perturbation of the much larger disorder due to the amorphisation process. However, the analytical predictions differ, for both the crystalline and amorphous alloys, from the experimental results. If one is to believe the data, there is only one possible explanation for this inconsistency: large amounts of hydrogen are present in the samples used for the measurements. Since the data analysis of EXAFS results is not always straightforward, I have proposed some experiments that could shed light on this problem. One of these experiments would be to look at the (111) surface of a Si-Ge alloy with a scanning tunneling microscope. I also present in this thesis the theoretical predictions for the height distribution at the surface as well as some more general structural information about the relaxation in the network as one goes away from the surface. Finally, I have studied the effect of size -mismatch in a purely two dimensional lattice, looking for mismatch-driven phase transitions

  17. Autoclave foam concrete: Structure and properties

    NASA Astrophysics Data System (ADS)

    Mestnikov, Alexei; Semenov, Semen; Strokova, Valeria; Nelubova, Viktoria

    2016-01-01

    This paper describes the technology and properties of autoclaved foam concrete taking into account practical experience and laboratory studies. The results of study of raw materials and analysis of structure and properties of foam-concrete before and after autoclave treatment are basic in this work. Experimental studies of structure and properties of foam concrete are carried out according to up-to-date methods and equipment on the base of the shared knowledge centers. Results of experimental studies give a deep understanding of properties of raw materials, possible changes and new formations in inner layers of porous material providing the improvement of constructional and operational properties of autoclaved foam concrete. Principal directions of technology enhancement as well as developing of production of autoclave foam concretes under cold-weather conditions in Russia climate are justified.

  18. Probing RNA Native Conformational Ensembles with Structural Constraints.

    PubMed

    Fonseca, Rasmus; van den Bedem, Henry; Bernauer, Julie

    2016-05-01

    Noncoding ribonucleic acids (RNA) play a critical role in a wide variety of cellular processes, ranging from regulating gene expression to post-translational modification and protein synthesis. Their activity is modulated by highly dynamic exchanges between three-dimensional conformational substates, which are difficult to characterize experimentally and computationally. Here, we present an innovative, entirely kinematic computational procedure to efficiently explore the native ensemble of RNA molecules. Our procedure projects degrees of freedom onto a subspace of conformation space defined by distance constraints in the tertiary structure. The dimensionality reduction enables efficient exploration of conformational space. We show that the conformational distributions obtained with our method broadly sample the conformational landscape observed in NMR experiments. Compared to normal mode analysis-based exploration, our procedure diffuses faster through the experimental ensemble while also accessing conformational substates to greater precision. Our results suggest that conformational sampling with a highly reduced but fully atomistic representation of noncoding RNA expresses key features of their dynamic nature. PMID:27028235

  19. CO ROVIBRATIONAL EMISSION AS A PROBE OF INNER DISK STRUCTURE

    SciTech Connect

    Salyk, C.; Blake, G. A.; Boogert, A. C. A.; Brown, J. M.

    2011-12-20

    We present an analysis of CO emission lines from a sample of T Tauri, Herbig Ae/Be, and transitional disks with known inclinations in order to study the structure of inner disk molecular gas. We calculate CO inner radii by fitting line profiles with a simple parameterized model. We find that, for optically thick disks, CO inner radii are strongly correlated with the total system luminosity (stellar plus accretion) and consistent with the dust sublimation radius. Transitional disk inner radii show the same trend with luminosity, but are systematically larger. Using rotation diagram fits, we derive, for classical T Tauri disks, emitting areas consistent with a ring of width {approx}0.15 AU located at the CO inner radius; emitting areas for transitional disks are systematically smaller. We also measure lower rotational temperatures for transitional disks, and disks around Herbig Ae/Be stars, than for those around T Tauri stars. Finally, we find that rotational temperatures are similar to, or slightly lower than, the expected temperature of blackbody grains located at the CO inner radius, in contrast to expectations of thermal decoupling between gas and dust.

  20. Scintillation Arcs: Probing Turbulence and Structure in the ISM

    NASA Astrophysics Data System (ADS)

    Stinebring, Daniel R.

    2006-12-01

    Multi-path scattering through inhomogeneities in the interstellar medium causes many related effects. In this review, I concentrate on the phenomenon of scintillation arcs, which are parabolic patterns in the secondary spectrum caused by interference between different angular components of the scatter-broadened image of a pulsar. Scintillation arcs are now fairly well understood. The measured curvature of the arc, together with proper motion and distance information about the pulsar, can be used to determine the location of thin scattering screens along the line of sight to the object. Some recent work of this type is presented. The puzzle of substructure in the power distribution of scintillation arcs is poorly understood, however, and is commented on as an open puzzle. In particular, some inferred physical structures in the ISM are small scale (˜ 1 AU) and over-dense with respect to the background medium. Finally, an application of scintillation arc studies to the correction of high-precision pulsar timing is presented.

  1. Probing structural heterogeneities and conformational fluctuations of biopolymers

    SciTech Connect

    Laurence, T; Kong, X; Jaeger, M; Weiss, S

    2004-12-15

    We study protein and nucleic acid structure and dynamics using single-molecule fluorescence resonance energy transfer measurements with alternating-laser excitation. Freely diffusing molecules are sorted into subpopulations based on stoichiometry, detecting donor and acceptor coincidence for periods over 100 {micro}s-1 ms. Faster (< 100 {micro}s) fluctuating distance distributions are studied within these subpopulations using time-resolved single photon counting measurements. We find that short double-stranded DNA (dsDNA) is more flexible than expected from persistence lengths measured on long dsDNA. We find that the electrostatic portion of the persistence length of single-stranded poly-dT varies as the ionic strength (I) to the -1/2 power (I{sup -1/2}). Lastly, we find that the unfolded protein Chymotrypsin Inhibitor 2 (CI2) is unstructured at high denaturant. However, in the presence of folded CI2 (at lower denaturant), unfolded CI2 is more compact and displays larger distance fluctuations, possibly due to unsuccessful attempts to cross the folding barrier.

  2. Probing the structure and porosity of the lunar highlands crust

    NASA Astrophysics Data System (ADS)

    Soderblom, Jason M.; Evans, Alexander J.; Johnson, Brandon C.; Melosh, H. Jay; Miljković, Katarina; Phillips, Roger J.; Andrews-Hanna, Jeffrey C.; Milbury, Colleen; Neumann, Gregory A.; Nimmo, Francis; Smith, David E.; Solomon, Sean C.; Sori, Michael M.; Thomason, Carver J.; Wieczorek, Mark A.; Zuber, Maria T.

    2015-04-01

    Impact cratering is held to be the primary mechanism responsible for regulating porosity in primordial planetary lithospheres, increasing porosity via fracturing and dilatant bulking and decreasing porosity via localized heating and compaction. Constraints on these processes, however, are limited to gravity profiles of four lunar craters and gravity and seismic observations of ~50 terrestrial craters, many of which have been substantially modified by erosion and weathering. The Gravity Recovery and Interior Laboratory (GRAIL) mission has afforded unprecedented insight into the structure of the lithosphere of the Moon. We use a Bouguer-corrected GRAIL gravity field to investigate the porosity associated with ~1200 complex lunar highlands craters. We find that the Bouguer anomaly (BA) of these craters is generally negative and scales inversely with crater size, implying that larger impacts result in more extensive fracturing and dilatant bulking. The BA of craters larger than ~93 km is independent of crater diameter, indicating that impact-generated porosity is truncated at depth. Considerable variability in the BA of craters is observed. Some craters, in fact, exhibit positive Bouguer anomalies. We find that positive values of the residual BA, the average BA within the crater rim less the average BA within an outer annulus from the outer flank of the rim to two crater radii from the crater center, correlate with high porosity in the surrounding crust. Our analysis shows that, whereas early impacts generally increased crustal porosity, when crustal porosity becomes too high, impacts reduce porosity, leading to the concept of a steady-state porosity, which we estimate to be ~15±1% for the lunar highlands. Knowledge of the extent and variability of crustal porosity is critical to understanding the thermal and geologic evolution of planetary bodies and to the ancient ecology of Earth.

  3. Finite Element Estimation of Meteorite Structural Properties

    NASA Technical Reports Server (NTRS)

    Hart, Kenneth Arthur

    2015-01-01

    The goal of the project titled Asteroid Threat Assessment at NASA Ames Research Center is to develop risk assessment tools. The expertise in atmospheric entry in the Entry Systems and Technology Division is being used to describe the complex physics of meteor breakup in the atmosphere. The breakup of a meteor is dependent on its structural properties, including homogeneity of the material. The present work describes an 11-week effort in which a literature survey was carried for structural properties of meteoritic material. In addition, the effect of scale on homogeneity isotropy was studied using a Monte Carlo approach in Nastran. The properties were then in a static structural response simulation of an irregularly-shape meteor (138-scale version of Asteroid Itokawa). Finally, an early plan was developed for doctoral research work at Georgia Tech. in the structural failure fragmentation of meteors.

  4. Tribological properties of structural ceramics

    NASA Technical Reports Server (NTRS)

    Buckley, Donald H.; Miyoshi, Kazuhisa

    1989-01-01

    The tribological and lubricated behavior of both oxide and nonoxide ceramics are reviewed in this chapter. Ceramics are examined in contact with themselves, other harder materials and metals. Elastic, plastic and fracture behavior of ceramics in solid state contact is discussed. The contact load necessary to initiate fracture in ceramics is shown to be appreciably reduced with tangential motion. Both friction and wear of ceramics are anisotropic and relate to crystal structure as has been observed with metals. Grit size effects in two and three body abrasive wear are observed for ceramics. Both free energy of oxide formation and the d valence bond character of metals are related to the friction and wear characteristics for metals in contact with ceramics. Surface contaminants affect friction and adhesive wear. For example, carbon on silicon carbide and chlorine on aluminum oxide reduce friction while oxygen on metal surfaces in contact with ceramics increases friction. Lubrication increases the critical load necessary to initiate fracture of ceramics both in indentation and with sliding or rubbing. Ceramics compositions both as coatings and in composites are described for the high temperature lubrication of both alloys and ceramics.

  5. Tribological properties of structural ceramics

    NASA Technical Reports Server (NTRS)

    Buckley, D. H.; Miyoshi, K.

    1985-01-01

    The tribological and lubricated behavior of both oxide and nonoxide ceramics are reviewed in this chapter. Ceramics are examined in contact with themselves, other harder materials and metals. Elastic, plastic and fracture behavior of ceramics in solid state contact is discussed. The contact load necessary to initiate fracture in ceramics is shown to be appreciably reduced with tangential motion. Both friction and wear of ceramics are anisotropic and relate to crystal structure as has been observed with metals. Grit size effects in two and three body abrasive wear are observed for ceramics. Both free energy of oxide formation and the d valence bond character of metals are related to the friction and wear characteristics for metals in contact with ceramics. Surface contaminants affect friction and adhesive wear. For example, carbon on silicon carbide and chlorine on aluminum oxide reduce friction while oxygen on metal surfaces in contact with ceramics increases friction. Lubrication increases the critical load necessary to initiate fracture of ceramics both in indentation and with sliding or rubbing. Ceramics compositions both as coatings and in composites are described for the high temperature lubrication of both alloys and ceramics.

  6. Global universe anisotropy probed by the alignment of structures in the cosmic microwave background.

    PubMed

    Wiaux, Y; Vielva, P; Martínez-González, E; Vandergheynst, P

    2006-04-21

    We question the global universe isotropy by probing the alignment of local structures in the cosmic microwave background (CMB) radiation. The original method proposed relies on a steerable wavelet decomposition of the CMB signal on the sphere. The analysis of the first-year Wilkinson Microwave Anisotropy Probe data identifies a mean preferred plane with a normal direction close to the CMB dipole axis, and a mean preferred direction in this plane, very close to the ecliptic poles axis. Previous statistical anisotropy results are thereby synthesized, but further analyses are still required to establish their origin. PMID:16712146

  7. Structural Properties of Barred Galaxies

    NASA Astrophysics Data System (ADS)

    Kim, Taehyun; Gadotti, D. A.; Sheth, K.; Lee, M.; S4G Team

    2014-01-01

    We have performed two-dimensional multicomponent decomposition of 144 local barred spiral galaxies using 3.6 micron images from the Spitzer Survey of Stellar Structure in Galaxies. Our model fit includes up to four components (bulge, disk, bar, and a point source) and, most importantly, takes into account disk breaks. We present that ignoring the disk break and using a single disk scale length in the model fit for Type II (down- bending) disk galaxies can lead to differences of 40% in the disk scale length, 10% in bulge-to-total luminosity ratio (B/T), and 25% in bar-to-total luminosity ratios. We show that for galaxies with B/T > 0.1, the break radius to bar radius, r_br/R_bar, varies between 1 and 3, but as a function of B/T the ratio remains roughly constant. This suggests that in bulge-dominated galaxies the disk break is likely related to the outer Lindblad Resonance (OLR) of the bar, and thus the OLR also moves outwards at the same rate as the bar grows. For galaxies with B/T < 0.1, r_br/R_bar, spans a wide range from 1 to 6. This suggests that the mechanism that produces the break in these galaxies may be different from that in galaxies with more massive bulges. Consistent with previous studies, we conclude that disk breaks in galaxies with small bulges may originate from bar resonances that may be also coupled with the spiral arms, or be related to star formation thresholds. We quantifiy shapes of bar radial surface brightness profiles by measuring their Sersic indices and show that bars in higher B/T galaxies have flatter radial surface brightness profile than bulgeless galaxies do. In particular, bulgeless galaxies mostly have bars with steep profiles. We show that the normalized bar length is correlated with B/T, which is consistent with bars growing longer with time.

  8. Determination of linear viscoelastic properties of an entangled polymer melt by probe rheology simulations

    NASA Astrophysics Data System (ADS)

    Karim, Mir; Indei, Tsutomu; Schieber, Jay D.; Khare, Rajesh

    2016-01-01

    Particle rheology is used to extract the linear viscoelastic properties of an entangled polymer melt from molecular dynamics simulations. The motion of a stiff, approximately spherical particle is tracked in both passive and active modes. We demonstrate that the dynamic modulus of the melt can be extracted under certain limitations using this technique. As shown before for unentangled chains [Karim et al., Phys. Rev. E 86, 051501 (2012), 10.1103/PhysRevE.86.051501], the frequency range of applicability is substantially expanded when both particle and medium inertia are properly accounted for by using our inertial version of the generalized Stokes-Einstein relation (IGSER). The system used here introduces an entanglement length dT, in addition to those length scales already relevant: monomer bead size d , probe size R , polymer radius of gyration Rg, simulation box size L , shear wave penetration length Δ , and wave period Λ . Previously, we demonstrated a number of restrictions necessary to obtain the relevant fluid properties: continuum approximation breaks down when d ≳Λ ; medium inertia is important and IGSER is required when R ≳Λ ; and the probe should not experience hydrodynamic interaction with its periodic images, L ≳Δ . These restrictions are also observed here. A simple scaling argument for entangled polymers shows that the simulation box size must scale with polymer molecular weight as Mw3. Continuum analysis requires the existence of an added mass to the probe particle from the entrained medium but was not observed in the earlier work for unentangled chains. We confirm here that this added mass is necessary only when the thickness LS of the shell around the particle that contains the added mass, LS>d . We also demonstrate that the IGSER can be used to predict particle displacement over a given timescale from knowledge of medium viscoelasticity; such ability will be of interest for designing nanoparticle-based drug delivery.

  9. Resonant ultrasound spectroscopy - a tool to probe magneto-elastic properties of ferromagnetic shape memory alloys

    NASA Astrophysics Data System (ADS)

    Heczko, Oleg; Seiner, Hanuš; Sedlák, Petr; Kopeček, Jaromír; Kopecký, Vít; Landa, Michal

    2013-02-01

    Resonant ultrasound spectroscopy (RUS) was used to investigate the changes of elastic properties induced by magnetic field in magnetic shape memory alloys Ni-Mn-Ga and Co-Ni-Al. In contrast to large magneto-elastic response of Ni2MnGa austenite, there is only very weak response of Co-Ni-Al. This indicates that the austenite phase of Ni-Mn-Ga can have a privileged position and this may be a reason for the existence of magnetic shape memory effect. In contrast to austenite, the magneto-elastic response in Ni-Mn-Ga martensite is very small with large damping due to existence of twin boundaries. The measurement showed that RUS can be a powerful method to probe magneto-elastic properties of shape memory alloys.

  10. Custom-Built Optical Tweezers for Locally Probing the Viscoelastic Properties of Cancer Cells

    NASA Astrophysics Data System (ADS)

    Tavano, Federica; Bonin, Serena; Pinato, Giulietta; Stanta, Giorgio; Cojoc, Dan

    2011-07-01

    We report a home built optical tweezers setup to investigate the mechanism of the membrane tether formation from single cells in vitro. Using an optically trapped microbead as probe, we have determined the force-elongation curve during tether formation and extracted several parameters characterizing the viscoelastic behavior of the cell membrane: tether stiffness, force, and viscosity. Breast cancer MDA-MB-231 cells have been studied in two different conditions, at room and physiological temperatures, showing a strong temperature dependence of the visoelastic properties of the cell membrane. To get detailed inside information about the tether formation mechanism we have extended the analysis of the force-elongation curves fitting them with a Kelvin model. These preliminary results are part of a larger project of whose goal is to compare the viscoelastic properties of several types of cancer cell lines, characterized by different aggressiveness and metastatic potential.

  11. Capturing relativistic wakefield structures in plasmas using ultrashort high-energy electrons as a probe

    PubMed Central

    Zhang, C. J.; Hua, J. F.; Xu, X. L.; Li, F.; Pai, C.-H.; Wan, Y.; Wu, Y. P.; Gu, Y. Q.; Mori, W. B.; Joshi, C.; Lu, W.

    2016-01-01

    A new method capable of capturing coherent electric field structures propagating at nearly the speed of light in plasma with a time resolution as small as a few femtoseconds is proposed. This method uses a few femtoseconds long relativistic electron bunch to probe the wake produced in a plasma by an intense laser pulse or an ultra-short relativistic charged particle beam. As the probe bunch traverses the wake, its momentum is modulated by the electric field of the wake, leading to a density variation of the probe after free-space propagation. This variation of probe density produces a snapshot of the wake that can directly give many useful information of the wake structure and its evolution. Furthermore, this snapshot allows detailed mapping of the longitudinal and transverse components of the wakefield. We develop a theoretical model for field reconstruction and verify it using 3-dimensional particle-in-cell (PIC) simulations. This model can accurately reconstruct the wakefield structure in the linear regime, and it can also qualitatively map the major features of nonlinear wakes. The capturing of the injection in a nonlinear wake is demonstrated through 3D PIC simulations as an example of the application of this new method. PMID:27403561

  12. Capturing relativistic wakefield structures in plasmas using ultrashort high-energy electrons as a probe

    DOE PAGESBeta

    Zhang, C. J.; Hua, J. F.; Xu, X. L.; Li, F.; Pai, C. -H.; Wan, Y.; Wu, Y. P.; Gu, Y. Q.; Mori, W. B.; Joshi, C.; et al

    2016-07-11

    A new method capable of capturing coherent electric field structures propagating at nearly the speed of light in plasma with a time resolution as small as a few femtoseconds is proposed. This method uses a few femtoseconds long relativistic electron bunch to probe the wake produced in a plasma by an intense laser pulse or an ultra-short relativistic charged particle beam. As the probe bunch traverses the wake, its momentum is modulated by the electric field of the wake, leading to a density variation of the probe after free-space propagation. This variation of probe density produces a snapshot of themore » wake that can directly give many useful information of the wake structure and its evolution. Furthermore, this snapshot allows detailed mapping of the longitudinal and transverse components of the wakefield. We develop a theoretical model for field reconstruction and verify it using 3-dimensional particle-in-cell (PIC) simulations. This model can accurately reconstruct the wakefield structure in the linear regime, and it can also qualitatively map the major features of nonlinear wakes. As a result, the capturing of the injection in a nonlinear wake is demonstrated through 3D PIC simulations as an example of the application of this new method.« less

  13. Capturing relativistic wakefield structures in plasmas using ultrashort high-energy electrons as a probe.

    PubMed

    Zhang, C J; Hua, J F; Xu, X L; Li, F; Pai, C-H; Wan, Y; Wu, Y P; Gu, Y Q; Mori, W B; Joshi, C; Lu, W

    2016-01-01

    A new method capable of capturing coherent electric field structures propagating at nearly the speed of light in plasma with a time resolution as small as a few femtoseconds is proposed. This method uses a few femtoseconds long relativistic electron bunch to probe the wake produced in a plasma by an intense laser pulse or an ultra-short relativistic charged particle beam. As the probe bunch traverses the wake, its momentum is modulated by the electric field of the wake, leading to a density variation of the probe after free-space propagation. This variation of probe density produces a snapshot of the wake that can directly give many useful information of the wake structure and its evolution. Furthermore, this snapshot allows detailed mapping of the longitudinal and transverse components of the wakefield. We develop a theoretical model for field reconstruction and verify it using 3-dimensional particle-in-cell (PIC) simulations. This model can accurately reconstruct the wakefield structure in the linear regime, and it can also qualitatively map the major features of nonlinear wakes. The capturing of the injection in a nonlinear wake is demonstrated through 3D PIC simulations as an example of the application of this new method. PMID:27403561

  14. Capturing relativistic wakefield structures in plasmas using ultrashort high-energy electrons as a probe

    NASA Astrophysics Data System (ADS)

    Zhang, C. J.; Hua, J. F.; Xu, X. L.; Li, F.; Pai, C.-H.; Wan, Y.; Wu, Y. P.; Gu, Y. Q.; Mori, W. B.; Joshi, C.; Lu, W.

    2016-07-01

    A new method capable of capturing coherent electric field structures propagating at nearly the speed of light in plasma with a time resolution as small as a few femtoseconds is proposed. This method uses a few femtoseconds long relativistic electron bunch to probe the wake produced in a plasma by an intense laser pulse or an ultra-short relativistic charged particle beam. As the probe bunch traverses the wake, its momentum is modulated by the electric field of the wake, leading to a density variation of the probe after free-space propagation. This variation of probe density produces a snapshot of the wake that can directly give many useful information of the wake structure and its evolution. Furthermore, this snapshot allows detailed mapping of the longitudinal and transverse components of the wakefield. We develop a theoretical model for field reconstruction and verify it using 3-dimensional particle-in-cell (PIC) simulations. This model can accurately reconstruct the wakefield structure in the linear regime, and it can also qualitatively map the major features of nonlinear wakes. The capturing of the injection in a nonlinear wake is demonstrated through 3D PIC simulations as an example of the application of this new method.

  15. Probing liquid surface waves, liquid properties and liquid films with light diffraction

    NASA Astrophysics Data System (ADS)

    Barik, Tarun Kr; Chaudhuri, Partha Roy; Roy, Anushree; Kar, Sayan

    2006-06-01

    Surface waves on liquids act as a dynamical phase grating for incident light. In this paper, we revisit the classical method of probing such waves (wavelengths of the order of mm) as well as inherent properties of liquids and liquid films on liquids, using optical diffraction. A combination of simulation and experiment is proposed to trace out the surface wave profiles in various situations (e.g. for one or more vertical, slightly immersed, electrically driven exciters). Subsequently, the surface tension and the spatial damping coefficient (related to viscosity) of a variety of liquids are measured carefully in order to gauge the efficiency of measuring liquid properties using this optical probe. The final set of results deal with liquid films where dispersion relations, surface and interface modes, interfacial tension and related issues are investigated in some detail, both theoretically and experimentally. On the whole, our observations and analysis seem to support the claim that this simple, low cost apparatus is capable of providing a wealth of information on liquids and liquid surface waves in a non-destructive way.

  16. Probing the topological properties of complex networks modeling short written texts.

    PubMed

    Amancio, Diego R

    2015-01-01

    In recent years, graph theory has been widely employed to probe several language properties. More specifically, the so-called word adjacency model has been proven useful for tackling several practical problems, especially those relying on textual stylistic analysis. The most common approach to treat texts as networks has simply considered either large pieces of texts or entire books. This approach has certainly worked well-many informative discoveries have been made this way-but it raises an uncomfortable question: could there be important topological patterns in small pieces of texts? To address this problem, the topological properties of subtexts sampled from entire books was probed. Statistical analyses performed on a dataset comprising 50 novels revealed that most of the traditional topological measurements are stable for short subtexts. When the performance of the authorship recognition task was analyzed, it was found that a proper sampling yields a discriminability similar to the one found with full texts. Surprisingly, the support vector machine classification based on the characterization of short texts outperformed the one performed with entire books. These findings suggest that a local topological analysis of large documents might improve its global characterization. Most importantly, it was verified, as a proof of principle, that short texts can be analyzed with the methods and concepts of complex networks. As a consequence, the techniques described here can be extended in a straightforward fashion to analyze texts as time-varying complex networks. PMID:25719799

  17. Probing the Topological Properties of Complex Networks Modeling Short Written Texts

    PubMed Central

    Amancio, Diego R.

    2015-01-01

    In recent years, graph theory has been widely employed to probe several language properties. More specifically, the so-called word adjacency model has been proven useful for tackling several practical problems, especially those relying on textual stylistic analysis. The most common approach to treat texts as networks has simply considered either large pieces of texts or entire books. This approach has certainly worked well—many informative discoveries have been made this way—but it raises an uncomfortable question: could there be important topological patterns in small pieces of texts? To address this problem, the topological properties of subtexts sampled from entire books was probed. Statistical analyses performed on a dataset comprising 50 novels revealed that most of the traditional topological measurements are stable for short subtexts. When the performance of the authorship recognition task was analyzed, it was found that a proper sampling yields a discriminability similar to the one found with full texts. Surprisingly, the support vector machine classification based on the characterization of short texts outperformed the one performed with entire books. These findings suggest that a local topological analysis of large documents might improve its global characterization. Most importantly, it was verified, as a proof of principle, that short texts can be analyzed with the methods and concepts of complex networks. As a consequence, the techniques described here can be extended in a straightforward fashion to analyze texts as time-varying complex networks. PMID:25719799

  18. Multi-scale Imaging of Cellular and Sub-cellular Structures using Scanning Probe Recognition Microscopy.

    NASA Astrophysics Data System (ADS)

    Chen, Q.; Rice, A. F.

    2005-03-01

    Scanning Probe Recognition Microscopy is a new scanning probe capability under development within our group to reliably return to and directly interact with a specific nanobiological feature of interest. In previous work, we have successfully recognized and classified tubular versus globular biological objects from experimental atomic force microscope images using a method based on normalized central moments [ref. 1]. In this paper we extend this work to include recognition schemes appropriate for cellular and sub-cellular structures. Globular cells containing tubular actin filaments are under investigation. Thus there are differences in external/internal shapes and scales. Continuous Wavelet Transform with a differential Gaussian mother wavelet is employed for multi- scale analysis. [ref. 1] Q. Chen, V. Ayres and L. Udpa, ``Biological Investigation Using Scanning Probe Recognition Microscopy,'' Proceedings 3rd IEEE Conference on Nanotechnology, vol. 2, p 863-865 (2003).

  19. Amyloid-β probes: Review of structure-activity and brain-kinetics relationships.

    PubMed

    Eckroat, Todd J; Mayhoub, Abdelrahman S; Garneau-Tsodikova, Sylvie

    2013-01-01

    The number of people suffering from Alzheimer's disease (AD) is expected to increase dramatically in the coming years, placing a huge burden on society. Current treatments for AD leave much to be desired, and numerous research efforts around the globe are focused on developing improved therapeutics. In addition, current diagnostic tools for AD rely largely on subjective cognitive assessment rather than on identification of pathophysiological changes associated with disease onset and progression. These facts have led to numerous efforts to develop chemical probes to detect pathophysiological hallmarks of AD, such as amyloid-β plaques, for diagnosis and monitoring of therapeutic efficacy. This review provides a survey of chemical probes developed to date for AD with emphasis on synthetic methodologies and structure-activity relationships with regards to affinity for target and brain kinetics. Several probes discussed herein show particularly promising results and will be of immense value moving forward in the fight against AD. PMID:23766818

  20. Interstellar Silicate Dust Grain Properties in Distant Galaxies Probed by Quasar Absorption Systems

    NASA Astrophysics Data System (ADS)

    Aller, Monique C.; Kulkarni, Varsha P.; York, Donald G.; Welty, Daniel E.; Vladilo, Giovanni; Som, Debopam

    2015-01-01

    Dust grains are a fundamental component of the interstellar medium, and significantly impact many of the physical processes driving galaxy evolution, including star formation, and the heating, cooling and ionization of interstellar material. Using the absorption features produced by dust in the spectra of luminous background quasars, it is possible to study the properties of extragalactic interstellar dust grains. We will present results from an ongoing program utilizing existing Spitzer Space Telescope infrared quasar spectra to probe silicate dust grain properties in z<1.4 quasar absorption systems. In combination with complementary ground-based data on associated gas-phase metal absorption lines, we explore connections between the interstellar dust and gas in the quasar absorption systems. Our project yields clear detections of the 10 micron silicate dust absorption feature in the studied systems, as well as detections of the 18 micron silicate dust absorption feature in sources with adequate spectral coverage. Based on measured variations in the breath, peak wavelength, and substructure of the 10 micron absorption features, there appear to be differences in the silicate dust grain properties from system-to-system. We also show indications of trends between the gas-phase metal properties, such as metallicity and gas velocity spread, with the silicate dust grain absorption properties. Support for this work is provided by NASA through an award issued by JPL/Caltech and through NASA grant NNX14AG74G, and from National Science Foundation grants AST-0908890 and AST-1108830 to the University of South Carolina.

  1. Multi-Scale Mechanical Probing Techniques To Investigate The Stability Of BEOL Layer Stacks With Sub-100 nm Structures

    NASA Astrophysics Data System (ADS)

    Geisler, Holm; Lehr, Matthias U.; Platz, Alexander; Mayer, Ulrich; Hofmann, Petra; Engelmann, Hans-Jürgen

    2011-09-01

    The stress levels induced by chip-package interaction (CPI) impose an increased risk of mechanical failure on advanced backend-of-line (BEOL) layer stacks in microelectronic circuits if they contain fragile ultralow-k (ULK) interlayer dielectric (ILD) films. On the one hand, multilevel finite element modeling is used to assess the potential risk at an early stage of the development of new microelectronic products. On the other hand, the theoretical models need as accurate as possible materials parameters as an input to provide realistic results. Moreover, it is highly desirable to have multi-scale experimental probes available which can provide complementary data to support the modeling calculations. The present paper provides an overview about various mechanical probing techniques which operate on the scale of less than 100 nm up to more than 100 μm. In this way, typical feature sizes are covered which occur from the package level via solder bumps or copper pillars down to small Cu/ULK interconnect structures. The experimental approaches are based on nanoindentation with lateral force detection and in-situ scanning probe microscopy (SPM) imaging capabilities, and they include a novel technique named bump assisted BEOL stability indentation (BABSI) test. Especially, the interrelation between small-scale mechanical properties of ULK dielectric films and stresses acting on larger scales are quantitatively assessed by means of the experimental approaches described here.

  2. Scanning Probe Microscopy Study of Electronic Properties in Alkyl-substituted Oligothiopene-based Field-Effect Transitors

    NASA Astrophysics Data System (ADS)

    Afsharimani, N.; Nysten, B.

    It appeared in the past decades that semi-conducting organic liquid crystals could easily replace the inorganic semi-conductors to manufacture field-effect transistors (FET). They can be easily processed by simple methods such as inkjet printing. These simple and cheap manufacturing methods pave the way to new applications for plastic electronics: electronic tags, biosensors, flexible screens, … The performance of these liquid crystal nanomaterials is due to their specific nanoscale structure. However, one limitation to the improvement of organic electronic devices is an incomplete understanding of their optoelectronic properties at the nanoscale. The organic semiconductor films often contain a combination of many ordered and disordered regions, grain boundaries and localized traps. These features impact charge transport and trapping at the sub-100 nm length scales [1]. Electrical SPM techniques such as STM, KPFM, EFM and CS-AFM have the potential to provide the correlation between the electronic properties directly and local film structure and have already made important contributions to the field of organic electronics. Here we report on the investigation of the structural and electronic properties of p-conductive organic field-effect transistors based on alkyl-substituted oligothiophenes with bottom-contact structure. For this purpose we use atomic force microscopy (AFM) and Kelvin-probe force microscopy (KPFM) in dual frequency mode under ambient conditions. This study helps to determine the local potential in the channel of active OFETs. On the other hand the molecular arrangements of these molecules on the HOPG surface have been studied using scanning tunnelling microscopy (STM) at the liquid-solid interface.

  3. Probing the structure-activity relationship of endogenous histone deacetylase complexes with immobilized peptide-inhibitors.

    PubMed

    Sindlinger, Julia; Bierlmeier, Jan; Geiger, Lydia-Christina; Kramer, Katharina; Finkemeier, Iris; Schwarzer, Dirk

    2016-05-01

    Histone deacetylases (HDACs) are key regulators of numerous cellular proteins by removing acetylation marks from modified lysine residues. Peptide-based HDAC probes containing α-aminosuberic acid ω-hydroxamate have been established as useful tools for investigating substrate selectivity and composition of endogenous HDAC complexes in cellular lysates. Here we report a structure-activity study of potential HDAC-probes containing derivatives of the hydroxamate moieties. While most of these probes did not recruit significant amounts of endogenous HDACs from cellular lysates, peptides containing Nε-acetyl-Nε-hydroxy-L-lysine served as HDAC probe. The recruitment efficiency varied between HDACs and was generally lower than that of α-aminosuberic acid ω-hydroxamate probes, but showed a similar global interaction profile. These findings indicate that Nε-acetyl-Nε-hydroxy-L-lysine might be a useful tool for investigations on HDAC complexes and the development of HDAC inhibitors. Copyright © 2016 European Peptide Society and John Wiley & Sons, Ltd. PMID:27071932

  4. Probing the inner structure of blast furnaces by cosmic-ray muon radiography

    NASA Astrophysics Data System (ADS)

    Nagamine, K.; Tanaka, H. K. M.; Nakamura, S. N.; Ishida, K.; Hashimoto, M.; Shinotake, A.; Naito, M.; Hatanaka, A.

    By using the detection system of the near-horizontal cosmic-ray radiography originally developed for probing inner structure of volcanic mountains, a measurement was conducted to probe the inner structure and its time-dependent change of the blast furnace for iron-making. Precise determination (+/-5 cm) of the thickness of brick used for both base-plate and side-wall was made in 45 days; a crucial information to predict a life-time of the furnace. Also, the local density of iron-rich part was determined in +/-0.2 g/cm2 in 45 days; static structure as well as time-dependent behavior can be monitored for the iron-rich part of the furnace during operation.

  5. Structure Defect Property Relationships in Binary Intermetallics

    NASA Astrophysics Data System (ADS)

    Medasani, Bharat; Ding, Hong; Chen, Wei; Persson, Kristin; Canning, Andrew; Haranczyk, Maciej; Asta, Mark

    2015-03-01

    Ordered intermetallics are light weight materials with technologically useful high temperature properties such as creep resistance. Knowledge of constitutional and thermal defects is required to understand these properties. Vacancies and antisites are the dominant defects in the intermetallics and their concentrations and formation enthalpies could be computed by using first principles density functional theory and thermodynamic formalisms such as dilute solution method. Previously many properties of the intermetallics such as melting temperatures and formation enthalpies were statistically analyzed for large number of intermetallics using structure maps and data mining approaches. We undertook a similar exercise to establish the dependence of the defect properties in binary intermetallics on the underlying structural and chemical composition. For more than 200 binary intermetallics comprising of AB, AB2 and AB3 structures, we computed the concentrations and formation enthalpies of vacancies and antisites in a small range of stoichiometries deviating from ideal stoichiometry. The calculated defect properties were datamined to gain predictive capabilities of defect properties as well as to classify the intermetallics for their suitability in high-T applications. Supported by the US DOE under Contract No. DEAC02-05CH11231 under the Materials Project Center grant (Award No. EDCBEE).

  6. Site-Specific DNA Structural and Dynamic Features Revealed by Nucleotide-Independent Nitroxide Probes

    SciTech Connect

    Popova, Anna; Kalai, Tamas; Hideg, Kalman; Qin, Peter Z.

    2009-09-15

    In site-directed spin labeling, a covalently attached nitroxide probe containing a chemically inert unpaired electron is utilized to obtain information on the local environment of the parent macromolecule. Studies presented here examine the feasibility of probing local DNA structural and dynamic features using a class of nitroxide probes that are linked to chemically substituted phosphorothioate positions at the DNA backbone. Two members of this family, designated as R5 and R5a, were attached to eight different sites of a dodecameric DNA duplex without severely perturbing the native B-form conformation. Measured X-band electron paramagnetic resonance (EPR) spectra, which report on nitroxide rotational motions, were found to vary depending on the location of the label (e.g., duplex center vs termini) and the surrounding DNA sequence. This indicates that R5 and R5a can provide information on the DNA local environment at the level of an individual nucleotide. As these probes can be attached to arbitrary nucleotides within a nucleic acid sequence, they may provide a means to “scan” a given DNA molecule in order to interrogate its local structural and dynamic features.

  7. Elucidating the higher-order structure of biopolymers by structural probing and mass spectrometry: MS3D

    PubMed Central

    Fabris, Daniele; Yu, Eizadora T.

    2010-01-01

    Chemical probing represents a very versatile alternative for studying the structure and dynamics of substrates that are intractable by established high-resolution techniques. The implementation of MS-based strategies for the characterization of probing products has not only extended the range of applicability to virtually all types of biopolymers, but has also paved the way for the introduction of new reagents that would not have been viable with traditional analytical platforms. As the availability of probing data is steadily increasing on the wings of the development of dedicated interpretation aids, powerful computational approaches have been explored to enable the effective utilization of such information to generate valid molecular models. This combination of factors has contributed to making the possibility of obtaining actual 3D structures by MS-based technologies (MS3D) a reality. Although approaches for achieving structure determination of unknown substrates or assessing the dynamics of known structures may share similar reagents and development trajectories, they clearly involve distinctive experimental strategies, analytical concerns, and interpretation paradigms. This Perspective offers a commentary on methods aimed at obtaining distance constraints for the modeling of full-fledged structures, while highlighting common elements, salient distinctions, and complementary capabilities exhibited by methods employed in dynamics studies. We discuss critical factors to be addressed for completing effective structural determinations and expose possible pitfalls of chemical methods. We survey programs developed for facilitating the interpretation of experimental data and discuss possible computational strategies for translating sparse spatial constraints into all-atom models. Examples are provided to illustrate how the concerted application of very diverse probing techniques can lead to the solution of actual biological substrates. PMID:20648672

  8. Visualization of NRAS RNA G-Quadruplex Structures in Cells with an Engineered Fluorogenic Hybridization Probe.

    PubMed

    Chen, Shuo-Bin; Hu, Ming-Hao; Liu, Guo-Cai; Wang, Jin; Ou, Tian-Miao; Gu, Lian-Quan; Huang, Zhi-Shu; Tan, Jia-Heng

    2016-08-24

    The RNA G-quadruplex is an important secondary structure formed by guanine-rich RNA sequences. However, its folding studies have mainly been studied in vitro. Accurate identification of RNA G-quadruplex formation within a sequence of interest remains difficult in cells. Herein, and based on the guanine-rich sequence in the 5'-UTR of NRAS mRNA, we designed and synthesized the first G-quadruplex-triggered fluorogenic hybridization (GTFH) probe, ISCH-nras1, for the unique visualization of the G-quadruplexes that form in this region. ISCH-nras1 is made up of two parts: The first is a fluorescent light-up moiety specific to G-quadruplex structures, and the second is a DNA molecule that can hybridize with a sequence that is adjacent to the guanine-rich sequence in the NRAS mRNA 5'-UTR. Further evaluation studies indicated that ISCH-nras1 could directly and precisely detect the targeted NRAS RNA G-quadruplex structures, both in vitro and in cells. Thus, this GTFH probe was a useful tool for directly investigating the folding of G-quadruplex structures within an RNA of interest and represents a new direction for the design of smart RNA G-quadruplex probes. PMID:27508892

  9. Dopant distributions in n-MOSFET structure observed by atom probe tomography.

    PubMed

    Inoue, K; Yano, F; Nishida, A; Takamizawa, H; Tsunomura, T; Nagai, Y; Hasegawa, M

    2009-11-01

    The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted. PMID:19775815

  10. Probing the structure of ribosome assembly intermediates in vivo using DMS and hydroxyl radical footprinting.

    PubMed

    Hulscher, Ryan M; Bohon, Jen; Rappé, Mollie C; Gupta, Sayan; D'Mello, Rhijuta; Sullivan, Michael; Ralston, Corie Y; Chance, Mark R; Woodson, Sarah A

    2016-07-01

    The assembly of the Escherichia coli ribosome has been widely studied and characterized in vitro. Despite this, ribosome biogenesis in living cells is only partly understood because assembly is coupled with transcription, modification and processing of the pre-ribosomal RNA. We present a method for footprinting and isolating pre-rRNA as it is synthesized in E. coli cells. Pre-rRNA synthesis is synchronized by starvation, followed by nutrient upshift. RNA synthesized during outgrowth is metabolically labeled to facilitate isolation of recent transcripts. Combining this technique with two in vivo RNA probing methods, hydroxyl radical and DMS footprinting, allows the structure of nascent RNA to be probed over time. Together, these can be used to determine changes in the structures of ribosome assembly intermediates as they fold in vivo. PMID:27016143

  11. Complex structural dynamics of nanocatalysts revealed in Operando conditions by correlated imaging and spectroscopy probes

    SciTech Connect

    Li, Y.; Zakharov, D.; Zhao, S.; Tappero, R.; Jung, U.; Elsen, A.; Baumann, Ph.; Nuzzo, R. G.; Stach, E. A.; Frenkel, A. I.

    2015-06-29

    Understanding how heterogeneous catalysts change size, shape and structure during chemical reactions is limited by the paucity of methods for studying catalytic ensembles in working state, that is, in operando conditions. Here by a correlated use of synchrotron X-ray absorption spectroscopy and scanning transmission electron microscopy in operando conditions, we quantitatively describe the complex structural dynamics of supported Pt catalysts exhibited during an exemplary catalytic reaction—ethylene hydrogenation. This work exploits a microfabricated catalytic reactor compatible with both probes. The results demonstrate dynamic transformations of the ensemble of Pt clusters that spans a broad size range throughout changing reaction conditions. Lastly, this method is generalizable to quantitative operando studies of complex systems using a wide variety of X-ray and electron-based experimental probes.

  12. Complex structural dynamics of nanocatalysts revealed in Operando conditions by correlated imaging and spectroscopy probes.

    PubMed

    Li, Y; Zakharov, D; Zhao, S; Tappero, R; Jung, U; Elsen, A; Baumann, Ph; Nuzzo, R G; Stach, E A; Frenkel, A I

    2015-01-01

    Understanding how heterogeneous catalysts change size, shape and structure during chemical reactions is limited by the paucity of methods for studying catalytic ensembles in working state, that is, in operando conditions. Here by a correlated use of synchrotron X-ray absorption spectroscopy and scanning transmission electron microscopy in operando conditions, we quantitatively describe the complex structural dynamics of supported Pt catalysts exhibited during an exemplary catalytic reaction-ethylene hydrogenation. This work exploits a microfabricated catalytic reactor compatible with both probes. The results demonstrate dynamic transformations of the ensemble of Pt clusters that spans a broad size range throughout changing reaction conditions. This method is generalizable to quantitative operando studies of complex systems using a wide variety of X-ray and electron-based experimental probes. PMID:26119246

  13. Complex structural dynamics of nanocatalysts revealed in Operando conditions by correlated imaging and spectroscopy probes

    NASA Astrophysics Data System (ADS)

    Li, Y.; Zakharov, D.; Zhao, S.; Tappero, R.; Jung, U.; Elsen, A.; Baumann, Ph.; Nuzzo, R. G.; Stach, E. A.; Frenkel, A. I.

    2015-06-01

    Understanding how heterogeneous catalysts change size, shape and structure during chemical reactions is limited by the paucity of methods for studying catalytic ensembles in working state, that is, in operando conditions. Here by a correlated use of synchrotron X-ray absorption spectroscopy and scanning transmission electron microscopy in operando conditions, we quantitatively describe the complex structural dynamics of supported Pt catalysts exhibited during an exemplary catalytic reaction--ethylene hydrogenation. This work exploits a microfabricated catalytic reactor compatible with both probes. The results demonstrate dynamic transformations of the ensemble of Pt clusters that spans a broad size range throughout changing reaction conditions. This method is generalizable to quantitative operando studies of complex systems using a wide variety of X-ray and electron-based experimental probes.

  14. Complex structural dynamics of nanocatalysts revealed in Operando conditions by correlated imaging and spectroscopy probes

    PubMed Central

    Li, Y.; Zakharov, D.; Zhao, S.; Tappero, R.; Jung, U.; Elsen, A.; Baumann, Ph.; Nuzzo, R.G.; Stach, E.A.; Frenkel, A.I.

    2015-01-01

    Understanding how heterogeneous catalysts change size, shape and structure during chemical reactions is limited by the paucity of methods for studying catalytic ensembles in working state, that is, in operando conditions. Here by a correlated use of synchrotron X-ray absorption spectroscopy and scanning transmission electron microscopy in operando conditions, we quantitatively describe the complex structural dynamics of supported Pt catalysts exhibited during an exemplary catalytic reaction—ethylene hydrogenation. This work exploits a microfabricated catalytic reactor compatible with both probes. The results demonstrate dynamic transformations of the ensemble of Pt clusters that spans a broad size range throughout changing reaction conditions. This method is generalizable to quantitative operando studies of complex systems using a wide variety of X-ray and electron-based experimental probes. PMID:26119246

  15. Complex structural dynamics of nanocatalysts revealed in Operando conditions by correlated imaging and spectroscopy probes

    DOE PAGESBeta

    Li, Y.; Zakharov, D.; Zhao, S.; Tappero, R.; Jung, U.; Elsen, A.; Baumann, Ph.; Nuzzo, R. G.; Stach, E. A.; Frenkel, A. I.

    2015-06-29

    Understanding how heterogeneous catalysts change size, shape and structure during chemical reactions is limited by the paucity of methods for studying catalytic ensembles in working state, that is, in operando conditions. Here by a correlated use of synchrotron X-ray absorption spectroscopy and scanning transmission electron microscopy in operando conditions, we quantitatively describe the complex structural dynamics of supported Pt catalysts exhibited during an exemplary catalytic reaction—ethylene hydrogenation. This work exploits a microfabricated catalytic reactor compatible with both probes. The results demonstrate dynamic transformations of the ensemble of Pt clusters that spans a broad size range throughout changing reaction conditions. Lastly,more » this method is generalizable to quantitative operando studies of complex systems using a wide variety of X-ray and electron-based experimental probes.« less

  16. Structure, chemistry, and properties of mineral nanoparticles

    SciTech Connect

    Waychunas, G.A.; Zhang, H.; Gilbert, B.

    2008-12-02

    Nanoparticle properties can depart markedly from their bulk analog materials, including large differences in chemical reactivity, molecular and electronic structure, and mechanical behavior. The greatest changes are expected at the smallest sizes, e.g. 10 nm and below, where surface effects are expected to dominate bonding, shape and energy considerations. The precise chemistry at nanoparticle interfaces can have a profound effect on structure, phase transformations, strain, and reactivity. Certain phases may exist only as nanoparticles, requiring transformations in chemistry, stoichiometry and structure with evolution to larger sizes. In general, mineralogical nanoparticles have been little studied.

  17. HOT X-RAY CORONAE AROUND MASSIVE SPIRAL GALAXIES: A UNIQUE PROBE OF STRUCTURE FORMATION MODELS

    SciTech Connect

    Bogdan, Akos; Forman, William R.; Vogelsberger, Mark; Sijacki, Debora; Mazzotta, Pasquale; Kraft, Ralph P.; Jones, Christine; David, Laurence P.; Bourdin, Herve; Gilfanov, Marat; Churazov, Eugene

    2013-08-01

    Luminous X-ray gas coronae in the dark matter halos of massive spiral galaxies are a fundamental prediction of structure formation models, yet only a few such coronae have been detected so far. In this paper, we study the hot X-ray coronae beyond the optical disks of two 'normal' massive spirals, NGC 1961 and NGC 6753. Based on XMM-Newton X-ray observations, hot gaseous emission is detected to {approx}60 kpc-well beyond their optical radii. The hot gas has a best-fit temperature of kT {approx} 0.6 keV and an abundance of {approx}0.1 Solar, and exhibits a fairly uniform distribution, suggesting that the quasi-static gas resides in hydrostatic equilibrium in the potential well of the galaxies. The bolometric luminosity of the gas in the (0.05-0.15)r{sub 200} region (r{sub 200} is the virial radius) is {approx}6 Multiplication-Sign 10{sup 40} erg s{sup -1} for both galaxies. The baryon mass fractions of NGC 1961 and NGC 6753 are f{sub b,NGC1961} {approx} 0.11 and f{sub b,NGC6753} {approx} 0.09, which values fall short of the cosmic baryon fraction. The hot coronae around NGC 1961 and NGC 6753 offer an excellent basis to probe structure formation simulations. To this end, the observations are confronted with the moving mesh code AREPO and the smoothed particle hydrodynamics code GADGET. Although neither model gives a perfect description, the observed luminosities, gas masses, and abundances favor the AREPO code. Moreover, the shape and the normalization of the observed density profiles are better reproduced by AREPO within {approx}0.5r{sub 200}. However, neither model incorporates efficient feedback from supermassive black holes or supernovae, which could alter the simulated properties of the X-ray coronae. With the further advance of numerical models, the present observations will be essential in constraining the feedback effects in structure formation simulations.

  18. The optical properties of a weak probe field in a graphene ensemble under Raman excitation

    NASA Astrophysics Data System (ADS)

    Raheli, Ali; Hamedi, H. R.; Sahrai, M.

    2016-06-01

    We investigate the coherent manipulation of certain optical properties in graphene under Raman excitation by using a density-matrix approach. It is shown that the absorption and dispersion, the group velocity, and the transmission coefficient of the probe field can be efficiently controlled through proper adjustment of the intensity and frequency detuning of the control field. In addition, the optical bistability (OB) behavior is explored for the proposed system. It is found that the bistable threshold intensity and related hysteresis loop of OB can be controlled by the parameters of the system. The results obtained may be used in real experiments for the development of new types of nanoelectronic devices used for the realization of all-optical switching processes.

  19. Probing the photoluminescence properties of gold nanoclusters by fluorescence lifetime correlation spectroscopy

    SciTech Connect

    Yuan, C. T. Lin, T. N.; Shen, J. L.; Lin, C. A.; Chang, W. H.; Cheng, H. W.; Tang, J.

    2013-12-21

    Gold nanoclusters (Au NCs) have attracted much attention for promising applications in biological imaging owing to their tiny sizes and biocompatibility. So far, most efforts have been focused on the strategies for fabricating high-quality Au NCs and then characterized by conventional ensemble measurement. Here, a fusion single-molecule technique combining fluorescence correlation spectroscopy and time-correlated single-photon counting can be successfully applied to probe the photoluminescence (PL) properties for sparse Au NCs. In this case, the triplet-state dynamics and diffusion process can be observed simultaneously and the relevant time constants can be derived. This work provides a complementary insight into the PL mechanism at the molecular levels for Au NCs in solution.

  20. MASPROP- MASS PROPERTIES OF A RIGID STRUCTURE

    NASA Technical Reports Server (NTRS)

    Hull, R. A.

    1994-01-01

    The computer program MASPROP was developed to rapidly calculate the mass properties of complex rigid structural systems. This program's basic premise is that complex systems can be adequately described by a combination of basic elementary structural shapes. Thirteen widely used basic structural shapes are available in this program. They are as follows: Discrete Mass, Cylinder, Truncated Cone, Torus, Beam (arbitrary cross section), Circular Rod (arbitrary cross section), Spherical Segment, Sphere, Hemisphere, Parallelepiped, Swept Trapezoidal Panel, Symmetric Trapezoidal Panels, and a Curved Rectangular Panel. MASPROP provides a designer with a simple technique that requires minimal input to calculate the mass properties of a complex rigid structure and should be useful in any situation where one needs to calculate the center of gravity and moments of inertia of a complex structure. Rigid body analysis is used to calculate mass properties. Mass properties are calculated about component axes that have been rotated to be parallel to the system coordinate axes. Then the system center of gravity is calculated and the mass properties are transferred to axes through the system center of gravity by using the parallel axis theorem. System weight, moments of inertia about the system origin, and the products of inertia about the system center of mass are calculated and printed. From the information about the system center of mass the principal axes of the system and the moments of inertia about them are calculated and printed. The only input required is simple geometric data describing the size and location of each element and the respective material density or weight of each element. This program is written in FORTRAN for execution on a CDC 6000 series computer with a central memory requirement of approximately 62K (octal) of 60 bit words. The development of this program was completed in 1978.

  1. Structure Property Relationships of Carboxylic Acid Isosteres

    PubMed Central

    2016-01-01

    The replacement of a carboxylic acid with a surrogate structure, or (bio)-isostere, is a classical strategy in medicinal chemistry. The general underlying principle is that by maintaining the features of the carboxylic acid critical for biological activity, but appropriately modifying the physicochemical properties, improved analogs may result. In this context, a systematic assessment of the physicochemical properties of carboxylic acid isosteres would be desirable to enable more informed decisions of potential replacements to be used for analog design. Herein we report the structure–property relationships (SPR) of 35 phenylpropionic acid derivatives, in which the carboxylic acid moiety is replaced with a series of known isosteres. The data set generated provides an assessment of the relative impact on the physicochemical properties that these replacements may have compared to the carboxylic acid analog. As such, this study presents a framework for how to rationally apply isosteric replacements of the carboxylic acid functional group. PMID:26967507

  2. Structure-function relationships in the hammerhead ribozyme probed by base rescue.

    PubMed

    Peracchi, A; Matulic-Adamic, J; Wang, S; Beigelman, L; Herschlag, D

    1998-11-01

    We previously showed that the deleterious effects from introducing abasic nucleotides in the hammerhead ribozyme core can, in some instances, be relieved by exogenous addition of the ablated base and that the relative ability of different bases to rescue catalysis can be used to probe functional aspects of the ribozyme structure [Peracchi et al., Proc NatAcad Sci USA 93:11522]. Here we examine rescue at four additional positions, 3, 9, 12 and 13, to probe transition state interactions and to demonstrate the strengths and weaknesses of base rescue as a tool for structure-function studies. The results confirm functional roles for groups previously probed by mutagenesis, provide evidence that specific interactions observed in the ground-state X-ray structure are maintained in the transition state, and suggest formation in the transition state of other interactions that are absent in the ground state. In addition, the results suggest transition state roles for some groups that did not emerge as important in previous mutagenesis studies, presumably because base rescue has the ability to reveal interactions that are obscured by local structural redundancy in traditional mutagenesis. The base rescue results are complemented by comparing the effects of the abasic and phenyl nucleotide substitutions. The results together suggest that stacking of the bases at positions 9, 13 and 14 observed in the ground state is important for orienting other groups in the transition state. These findings add to our understanding of structure-function relationships in the hammerhead ribozyme and help delineate positions that may undergo rearrangements in the active hammerhead structure relative to the ground-state structure. Finally, the particularly efficient rescue by 2-methyladenine at position 13 relative to adenine and other bases suggests that natural base modifications may, in some instance, provide additional stability by taking advantage of hydrophobic interactions in folded RNAs

  3. Structure-function relationships in the hammerhead ribozyme probed by base rescue.

    PubMed Central

    Peracchi, A; Matulic-Adamic, J; Wang, S; Beigelman, L; Herschlag, D

    1998-01-01

    We previously showed that the deleterious effects from introducing abasic nucleotides in the hammerhead ribozyme core can, in some instances, be relieved by exogenous addition of the ablated base and that the relative ability of different bases to rescue catalysis can be used to probe functional aspects of the ribozyme structure [Peracchi et al., Proc NatAcad Sci USA 93:11522]. Here we examine rescue at four additional positions, 3, 9, 12 and 13, to probe transition state interactions and to demonstrate the strengths and weaknesses of base rescue as a tool for structure-function studies. The results confirm functional roles for groups previously probed by mutagenesis, provide evidence that specific interactions observed in the ground-state X-ray structure are maintained in the transition state, and suggest formation in the transition state of other interactions that are absent in the ground state. In addition, the results suggest transition state roles for some groups that did not emerge as important in previous mutagenesis studies, presumably because base rescue has the ability to reveal interactions that are obscured by local structural redundancy in traditional mutagenesis. The base rescue results are complemented by comparing the effects of the abasic and phenyl nucleotide substitutions. The results together suggest that stacking of the bases at positions 9, 13 and 14 observed in the ground state is important for orienting other groups in the transition state. These findings add to our understanding of structure-function relationships in the hammerhead ribozyme and help delineate positions that may undergo rearrangements in the active hammerhead structure relative to the ground-state structure. Finally, the particularly efficient rescue by 2-methyladenine at position 13 relative to adenine and other bases suggests that natural base modifications may, in some instance, provide additional stability by taking advantage of hydrophobic interactions in folded RNAs

  4. Use of acoustic sensors to probe the mechanical properties of liposomes.

    PubMed

    Melzak, Kathryn; Tsortos, Achilleas; Gizeli, Electra

    2009-01-01

    Acoustic sensors probe the response of a thin layer to the mechanical displacement associated with an acoustic wave. Acoustic measurements provide two simultaneous time-resolved signals; one signal is related to the velocity or frequency of the acoustic wave and is mainly a function of adsorbed mass, while the second signal, related to the oscillation amplitude, is associated with energy dissipation and is a function of the viscoelastic properties of the adsorbed layer. The methods described in this chapter explore the relationship between the acoustic measurements of adsorbed liposomes and the mechanical properties of the lipid bilayer. This is carried out using a well-characterized model system consisting of liposomes prepared from an unsaturated phospholipid and a range of mole fractions of cholesterol. Real-time acoustic measurements are shown to be sensitive to changes in the liposome cholesterol content, regardless of the mode of attachment of the liposome to the device surface. This sensitivity is not due to changes in the density of the bilayer, or to changes in the extent of liposome-surface interactions, thus leaving the mechanical properties of the bilayer as the feature that is probably being measured. Some mechanisms by which the acoustic response could be generated are suggested in this chapter. PMID:19913160

  5. Synthesis, structure, and properties of glasses under extreme conditions

    NASA Astrophysics Data System (ADS)

    Guerette, Michael J.

    Anomalous mechanical properties of silica glass include stiffening upon heating, initially softening under pressure, and non-linear elastic response to strains. Through understanding structural changes in silica glass under a broad range of temperature, pressure, and strain conditions and how they influence the mechanical properties, insight was gained for how to change the silica glass network to better suit specific uses in extreme conditions. In this dissertation, pressure-quenching routes were used to effectively change the glass atomic packing and to make densified glass. Applied in the non-rigid state near the glass transition temperature, quench pressures up to 8 GPa have been used to achieve density increase of 25% in silica glass. The resulting structure and properties of as-quenched samples have been investigated using XRD, Raman and Brillouin spectroscopy. In-situ Raman and Brillouin light scattering techniques were developed to study the structure, elastic and dynamic properties of silica glass under high temperature, high pressure and high strain conditions. High temperature measurements were carried out in an optical furnace up to 1500°C, a diamond anvil cell was used to carry out high pressure experiments up to 25 GPa, and a two-point bender was used for measuring glasses in excess of 6% strain in both tensile and compressive regions. Pressure-quenching from the non-rigid state near the glass transition temperature imparts structural signatures to densified silica glass that cannot be accomplished through cold compression at room temperature. The unique structures of pressure-quenched silica glass are reflected in decreased anomalous response of silica glass to external stimuli of high temperature or high pressure, and therefore greater thermo-mechanical stability. The nonlinear elastic behavior of silica glass has been directly probed from the compressive to the tensile side of silica fibers in bend by using in-situ Brillouin light scattering. This

  6. Probing the micro-rheological properties of aerosol particles using optical tweezers

    NASA Astrophysics Data System (ADS)

    Power, Rory M.; Reid, Jonathan P.

    2014-07-01

    The use of optical trapping techniques to manipulate probe particles for performing micro-rheological measurements on a surrounding fluid is well-established. Here, we review recent advances made in the use of optical trapping to probe the rheological properties of trapped particles themselves. In particular, we review observations of the continuous transition from liquid to solid-like viscosity of sub-picolitre supersaturated solution aerosol droplets using optical trapping techniques. Direct measurements of the viscosity of the particle bulk are derived from the damped oscillations in shape following coalescence of two particles, a consequence of the interplay between viscous and surface forces and the capillary driven relaxation of the approximately spheroidal composite particle. Holographic optical tweezers provide a facile method for the manipulation of arrays of particles allowing coalescence to be controllably induced between two micron-sized aerosol particles. The optical forces, while sufficiently strong to confine the composite particle, are several orders of magnitude weaker than the capillary forces driving relaxation. Light, elastically back-scattered by the particle, is recorded with sub-100 ns resolution allowing measurements of fast relaxation (low viscosity) dynamics, while the brightfield image can be used to monitor the shape relaxation extending to times in excess of 1000 s. For the slowest relaxation dynamics studied (particles with the highest viscosity) the presence and line shape of whispering gallery modes in the cavity enhanced Raman spectrum can be used to infer the relaxation time while serving the dual purpose of allowing the droplet size and refractive index to be measured with accuracies of ±0.025% and ±0.1%, respectively. The time constant for the damped relaxation can be used to infer the bulk viscosity, spanning from the dilute solution limit to a value approaching that of a glass, typically considered to be >1012 Pa s, whilst

  7. Spectrophotometric probe

    DOEpatents

    Prather, W.S.; O'Rourke, P.E.

    1994-08-02

    A support structure is described bearing at least one probe for making spectrophotometric measurements of a fluid using a source of light and a spectrophotometer. The probe includes a housing with two optical fibers and a planoconvex lens. A sleeve bearing a mirror surrounds the housing. The lens is separated from the mirror by a fixed distance, defining an interior space for receiving a volume of the fluid sample. A plurality of throughholes extending through the sleeve communicate between the sample volume and the exterior of the probe, all but one hole bearing a screen. A protective jacket surrounds the probe. A hollow conduit bearing a tube is formed in the wall of the probe for venting any air in the interior space when fluid enters. The probe is held at an acute angle so the optic fibers carrying the light to and from the probe are not bent severely on emergence from the probe. 3 figs.

  8. Spectrophotometric probe

    DOEpatents

    Prather, William S.; O'Rourke, Patrick E.

    1994-01-01

    A support structure bearing at least one probe for making spectrophotometric measurements of a fluid using a source of light and a spectrophotometer. The probe includes a housing with two optical fibers and a planoconvex lens. A sleeve bearing a mirror surrounds the housing. The lens is separated from the mirror by a fixed distance, defining an interior space for receiving a volume of the fluid sample. A plurality of throughholes extending through the sleeve communicate between the sample volume and the exterior of the probe, all but one hole bearing a screen. A protective jacket surrounds the probe. A hollow conduit bearing a tube is formed in the wall of the probe for venting any air in the interior space when fluid enters. The probe is held at an acute angle so the optic fibers carrying the light to and from the probe are not bent severely on emergence from the probe.

  9. Source and structure of bursty hot electron enhancements in the tail magnetosheath: Simultaneous two-probe observation by ARTEMIS

    NASA Astrophysics Data System (ADS)

    Wang, Chih-Ping; Xing, Xiaoyan; Nakamura, T. K. M.; Lyons, Larry R.; Angelopoulos, Vassilis

    2014-12-01

    Bursty enhancements of hot electrons (≳0.5 keV) with duration of minutes sometimes occur in the tail magnetosheath. In this study we used the unique simultaneous measurements from the two Acceleration Reconnection Turbulence and Electrodynamics of Moon's Interaction with the Sun probes to investigate the likely sources, spatial structures, and responsible processes for these hot electron enhancements. The enhancements can be seen at any distance across the magnetosheath, but those closer to the magnetopause are more often accompanied by magnetosheath density and flow magnitudes changing to more magnetosphere-like values. From simultaneous measurements with the two probes being on either side of magnetopause or both in the magnetosheath, it is evident that these hot electrons come from the magnetosphere near the current sheet without further energization and that the enhancements are a result of bursty lateral magnetosphere intrusion into the magnetosheath, the enhancements and changes in the magnetosheath properties becoming smaller with increasing outward distance from the intrusion. From limited events having specific separation distances and alignments between the probes, we estimated that a single isolated enhancement can have a thin and elongated structure as narrow as 2 RE wide in the X direction, as long as over 7 RE in the Y direction, and as thin as 1 RE in the Z direction. We propose that Kelvin-Helmholtz perturbations at the magnetopause and subsequent magnetosphere-magnetosheath particle mixing due to reconnection or diffusion can plausibly play an important role in generating the bursty magnetosphere intrusion into the magnetosheath and the hot electron enhancements.

  10. Source and Structure of Bursty Hot Electron Enhancements in the Tail Magnetosheath: Simultaneous Two-Probe Observation By Artemis

    NASA Astrophysics Data System (ADS)

    Wang, C. P.; Xing, X.; Lyons, L. R.; Angelopoulos, V.

    2014-12-01

    Bursty enhancements of hot electrons (~0.5 to 5 keV) with duration of minutes often occur in the tail magnetosheath. Determining the sources and energization of these hot electrons is important to understanding the coupling of the mangetosheath with the bowshock or magnetosphere. In this study we used the unique simultaneous measurements from the two ARTEMIS probes to investigate the likely source locations, spatial structures, and responsible processes for these hot electron enhancements. The enhancements can be seen at any distances across the magnetosheath, but those closer to the magnetopause more often have magnetosheath density and flow magnitudes decreased to more magnetosphere-like values. From simultaneous measurements of these enhancements with the two probes being on either side of magnetopause or both in the magnetosheath, it is evident that these hot electrons come from the magnetosphere near the current sheet without further energization, and that the enhancements are a result of bursty lateral magnetosphere intrusion into the magnetosheath, with weaker enhancements and smaller changes in the magnetosheath properties further outward from the intrusion. Using simultaneous observations having different separation distances and alignments between the probes, we estimated that a single isolated enhancement can have a thin and elongated structure as narrow as 2 RE wide in the X direction, as long as more than 7 RE in the Y direction, and as thin as 1 RE in the Z direction. From observed correlations between the enhancements seen on the magnetosheath side and magnetosheath intrusion seen on the magnetosphere side, we propose that Kelvin-Helmholtz perturbations at the magnetopause and subsequent magnetosphere-magnetosheath particle mixing due to reconnection or diffusion can plausibly explain the bursty magnetosphere intrusion deep into the magnetosheath and the different decreases of magnetosheath density and flow associated with the hot electron

  11. Structural properties of small rhodium clusters

    SciTech Connect

    Soon, Yee Yeen; Yoon, Tiem Leong; Lim, Thong Leng

    2015-04-24

    We report a systematic study of the structural properties of rhodium clusters at the atomistic level. A novel global-minimum search algorithm, known as parallel tempering multicanonical basin hopping plus genetic algorithm (PTMBHGA), is used to obtain the geometrical structures with lowest minima at the semi-empirical level where Gupta potential is used to describe the atomic interaction among the rhodium atoms. These structures are then re-optimized at the density functional theory (DFT) level with exchange-correlation energy approximated by Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA). The structures are optimized for different spin multiplicities. The ones with lowest energies will be taken as ground-state structures. In most cases, we observe only minor changes in the geometry and bond length of the clusters as a result of DFT-level re-optimization. Only in some limited cases, the initial geometries obtained from the PTMBHGA are modified by the re-optimization. The variation of structural properties, such as ground-state geometry, symmetry and binding energy, with respect to the cluster size is studied and agreed well with other results available in the literature.

  12. Method for analyzing nucleic acids by means of a substrate having a microchannel structure containing immobilized nucleic acid probes

    DOEpatents

    Ramsey, J. Michael; Foote, Robert S.

    2002-01-01

    A method and apparatus for analyzing nucleic acids includes immobilizing nucleic probes at specific sites within a microchannel structure and moving target nucleic acids into proximity to the probes in order to allow hybridization and fluorescence detection of specific target sequences.

  13. Method for analyzing nucleic acids by means of a substrate having a microchannel structure containing immobilized nucleic acid probes

    DOEpatents

    Ramsey, J. Michael; Foote, Robert S.

    2003-12-09

    A method and apparatus for analyzing nucleic acids includes immobilizing nucleic probes at specific sites within a microchannel structure and moving target nucleic acids into proximity to the probes in order to allow hybridization and fluorescence detection of specific target sequences.

  14. Explorations of molecular structure-property relationships.

    PubMed

    Seybold, P G

    1999-01-01

    The problem of the relationship between the structure of a molecule and its physical, chemical, and biological properties is one of the most fundamental in chemistry. Three molecular structure-property studies are discussed as illustrations of different approaches to this problem. In the first study the carcinogenic activities of polycyclic aromatic hydrocarbons and their derivatives are examined. Molecular orbital calculations of the presumptive activation steps and species for these compounds (based on the "bay region" theory of activation) are seen to yield a surprisingly good guide to the observed carcinogenic activities. Both activation and deactivation steps are considered. The second study reviews structure-property work on the tissue solubilities of halogenated hydrocarbons. Relatively simple structural descriptors give a good account of the solubilities of these compounds in blood, muscle, fat, and liver tissue. With the aid of principal components analysis it is shown that there are two dominant dimensions to this problem, which can be interpreted in terms of solubilities of the compounds in lipid and saline environments. The final study, which examines the boiling points of aliphatic alcohols, illustrates the value of using more than one descriptor set. The (perhaps surprising) conclusion is that a theoretical model can sometimes be more accurate than the data upon which it is based. Moreover, two models are better than one. PMID:10491848

  15. Fidelity spectrum: A tool to probe the property of a quantum phase

    NASA Astrophysics Data System (ADS)

    Wing, Chi Yu; Shi-Jian, Gu

    2016-03-01

    Fidelity measures the similarity between two states and is widely adapted by the condensed matter community as a probe of quantum phase transitions in many-body systems. Despite its success in witnessing quantum critical points, information about the fine structure of a quantum phase one can get from this approach is still limited. Here, we proposed a scheme called fidelity spectrum. By studying the fidelity spectrum, one can obtain information about the characteristics of a phase. In particular, we investigated the spectra in the one-dimensional transverse-field Ising model and the two-dimensional Kitaev model on a honeycomb lattice. It was found that the spectra have qualitative differences in the critical and non-critical regions of the two models. From the distributions of them, the dominating k modes in a particular phase could also be captured. Project supported by the Earmarked Research Grant from the Research Grants Council of HKSAR, China (Grant No. CUHK 401212).

  16. Protein adsorption properties of OEG monolayers and dense PNIPAM brushes probed by neutron reflectivity

    NASA Astrophysics Data System (ADS)

    Brouette, N.; Xue, C.; Haertlein, M.; Moulin, M.; Fragneto, G.; Leckband, D. E.; Halperin, A.; Sferrazza, M.

    2012-11-01

    The structure of dense poly(N-isopropylacrylamide) (PNIPAM) brushes and oligo(ethylene glycol) (OEG) monolayers has been probed using neutron reflectometry and ellipsometry. The PNIPAM brush is swollen below the Lower Critical Solution Temperature (LCST) of 32 ∘C and is collapsed at 37 ∘C. Neutron reflectivity shows that below the LCST, the brush is described by a two-layer model: an inner dense layer and a hydrated outer layer. Above the LCST the collapsed brush forms a homogenous layer. With a fully deuterated myoglobin protein to increase the neutron scattering length density contrast, the reflectivity data show no detectable primary adsorption on the grafted OEG surface. A bound on the ternary adsorption onto PNIPAM chains forming dense brushes below and above the LCST is obtained.

  17. The 5S rRNA loop E: chemical probing and phylogenetic data versus crystal structure.

    PubMed Central

    Leontis, N B; Westhof, E

    1998-01-01

    A significant fraction of the bases in a folded, structured RNA molecule participate in noncanonical base pairing interactions, often in the context of internal loops or multi-helix junction loops. The appearance of each new high-resolution RNA structure provides welcome data to guide efforts to understand and predict RNA 3D structure, especially when the RNA in question is a functionally conserved molecule. The recent publication of the crystal structure of the "Loop E" region of bacterial 5S ribosomal RNA is such an event [Correll CC, Freeborn B, Moore PB, Steitz TA, 1997, Cell 91:705-712]. In addition to providing more examples of already established noncanonical base pairs, such as purine-purine sheared pairings, trans-Hoogsteen UA, and GU wobble pairs, the structure provides the first high-resolution views of two new purine-purine pairings and a new GU pairing. The goal of the present analysis is to expand the capabilities of both chemical probing and phylogenetic analysis to predict with greater accuracy the structures of RNA molecules. First, in light of existing chemical probing data, we investigate what lessons could be learned regarding the interpretation of this widely used method of RNA structure probing. Then we analyze the 3D structure with reference to molecular phylogeny data (assuming conservation of function) to discover what alternative base pairings are geometrically compatible with the structure. The comparisons between previous modeling efforts and crystal structures show that the intricate involvements of ions and water molecules in the maintenance of non-Watson-Crick pairs render the process of correctly identifying the interacting sites in such pairs treacherous, except in cases of trans-Hoogsteen A/U or sheared A/G pairs for the adenine N1 site. The phylogenetic analysis identifies A/A, A/C, A/U and C/A, C/C, and C/U pairings isosteric with sheared A/G, as well as A/A and A/C pairings isosteric with both G/U and G/G bifurcated pairings

  18. Structural and electronic properties of thallium compounds

    NASA Astrophysics Data System (ADS)

    Paliwal, Neetu; Srivastava, Vipul

    2016-05-01

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a0), bulk modulus (B0), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  19. Acoustical properties of nonwoven fiber network structures

    NASA Astrophysics Data System (ADS)

    Tascan, Mevlut

    Sound insulation is one of the most important issues for the automotive and building industries. Because they are porous fibrous structures, textile materials can be used as sound insulating and sound absorbing materials. Very high-density materials such as steel can insulate sound very effectively but these rigid materials reflect most of the sound back to the environment, causing sound pollution. Additionally, because high-density, rigid materials are also heavy and high cost, they cannot be used for sound insulation for the automotive and building industries. Nonwoven materials are more suitable for these industries, and they can also absorb sound in order to decrease sound pollution in the environment. Therefore, nonwoven materials are one of the most important materials for sound insulation and absorption applications materials. Insulation and absorption properties of nonwoven fabrics depend on fiber geometry and fiber arrangement within the fabric structure. Because of their complex structure, it is very difficult to define the microstructure of nonwovens. The structure of nonwovens only has fibers and voids that are filled by air. Because of the complexity of fiber-void geometry, there is still not a very accurate theory or model that defines the structural arrangement. A considerable amount of modeling has been reported in literature [1--19], but most models are not accurate due to the assumptions made. Voids that are covered by fibers are called pores in nonwoven structures and their geometry is very important, especially for the absorption properties of nonwovens. In order to define the sound absorption properties of nonwoven fabrics, individual pore structure and the number of pores per unit thickness of the fabric should be determined. In this research, instead of trying to define pores, the properties of the fibers are investigated and the number of fibers per volume of fabric is taken as a parameter in the theory. Then the effect of the nonwoven

  20. Structure-property Relationships of Layered Oxypnictides

    NASA Astrophysics Data System (ADS)

    Muir, Sean W.

    Investigating the structure-property relationships of solid state materials can help improve many of the materials we use each day in life. It can also lead to the discovery of materials with interesting and unforeseen properties. In this work the structure property relationships of newly discovered layered oxypnictide phases are presented and discussed. There has generally been worldwide interest in layered oxypnictide materials following the discovery of superconductivity up to 55 K for iron arsenides such as LnFeAsO 1-xFx (where Ln = Lanthanoid). This work presents efforts to understand the structure and physical property changes which occur to LnFeAsO materials when Fe is replaced with Rh or Ir and when As is replaced with Sb. As part of this work the solid solution between LaFeAsO and LaRhAsO was examined and superconductivity is observed for low Rh content with a maximum critical temperature of 16 K. Ln RhAsO and LnIrAsO compositions are found to be metallic; however Ce based compositions display a resistivity temperature dependence which is typical of Kondo lattice materials. At low temperatures a sudden drop in resistivity occurs for both CeRhAsO and CeIrAsO compositions and this drop coincides with an antiferromagnetic transition. The Kondo scattering temperatures and magnetic transition temperatures observed for these materials can be rationalized by considering the expected difference in N(EF) J parameters between them, where N(EF) is the density of states at the Fermi level and J represents the exchange interaction between the Ce 4f1 electrons and the conduction electrons. In addition to studying these 4d and 5d substituted systems the LaFeSbO compositional system was investigated. While LaFeSbO has not been successfully synthesized the transition metal free layered oxypnictide composition La2SbO 2 was discovered and its structural and physical properties have been examined along with the properties of La2BiO2. Density functional theory was used to

  1. The Structure and Properties of Parachute Cloths

    NASA Technical Reports Server (NTRS)

    Mcnicholas, H J; Hedrick, F

    1930-01-01

    The requisite properties of a parachute cloth are discussed and the methods for measuring these properties described. In addition to the structural analysis of the cloths, the properties measured were weight, breaking strength, tear resistance, elasticity, and air permeability. Thirty-six silk cloths of domestic manufacture, not previously used in parachute construction are compared with some silk cloths of foreign manufacture. These foreign cloths were ones proven by trial and extended use to be suitable materials for parachute construction. Contrary to the belief that domestic woven cloths were not suitable materials for parachute construction, it is shown that many domestic silk cloths are satisfactory and in some respects superior to the foreign products. Based on a comparative study of all the cloths, specifications are drawn for the manufacture of silk parachute cloth.

  2. Application and recognition behaviors of TPA-cored probes with subtle structural change.

    PubMed

    Ge, Xinping; Pi, Jingjing; Zhu, Weiju; Gan, Xiaoping; Zheng, Jun; Tang, Xuguang; Yang, Yanchao; Zhou, Hongping; Wu, Jieying; Tian, Yupeng

    2015-12-01

    Two new triphenylamine-cored probes (L1, L2) with different receptor units have been synthesized and fully characterized by IR, NMR and MS spectra. Their photophysical properties have been investigated in detail. The recognition abilities of two probes were evaluated by a series of metal ions, which showed that L1 could recognize Cu(2+) over other metal ions. L2 could respond to Cu(2+), Hg(2+) in a short time, which interferes with a little each other. The Job's plot and (1)H NMR titration of L1 with Cu(2+) and L2 with Cu(2+) (Hg(2+)) in CD3CN verified the coordination mode of complexes L1-Cu(2+), L2-Cu(2+) and L2-Hg(2+), respectively. The limit of detection of L2 for Cu(2+) was lower than that of L1 towards Cu(2+). The results demonstrated that the receptor units in the probes had remarkable effect on recognizing metal ions. Meanwhile, L1 and L2 showed potential application in bio-imaging after mixing with Cu(2+). PMID:26143332

  3. Structure and Electronic Properties of Polycrystalline Dielectrics

    SciTech Connect

    Mckenna, Keith P.; Shluger, AL

    2013-07-07

    We present an overview of the theoretical approaches that can be employed to model polycrystalline oxides along with a discussion of their limitations and associated challenges. We then present results for two metal oxide materials, MgO and HfO2, where theory and experiment have come together to provide insight into the structure and electronic properties of grain boundaries. Finally, we conclude with a discussion and outlook.

  4. Structural properties of hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Ooi, N.; Rajan, V.; Gottlieb, J.; Catherine, Y.; Adams, J. B.

    2006-04-01

    The electronic and structural properties of hexagonal boron nitride (BN) were studied using density functional theory calculations. Three different approximations for the exchange—correlation energy (the local density and two forms of the generalized gradient)—were used to calculate properties such as the bulk modulus, cohesive energy and lattice constants to determine their relative predictive abilities for this system. In general, calculations using the local density approximation produced properties slightly closer to experimental values than calculations with either generalized gradient approximations. Different stackings, or arrangements of one basal plane with respect to another, were examined to determine the equilibrium stacking(s) and it was found that the different stackings have similar cohesive energies and bulk moduli. Energy versus volume curves were calculated for each stacking using two different methods to determine their relative efficacy. Bulk moduli values obtained assuming no pressure dependence were closer to experimental values than those obtained from three common equations of state. Comparisons between the cohesive energies of hexagonal BN and cubic BN show that the cubic phase is more stable. The pressure/volume dependence of the band structure was studied for several different stackings and all showed similar behaviour, specifically a 3-4.5 eV band gap that was nearly independent of pressure in the -500 to +500 kb regime. These calculated results of the pressure/volume dependence of the band structure are the first reports for this system.

  5. Effective structural properties in polycrystalline graphene

    NASA Astrophysics Data System (ADS)

    Hossain, Zubaer

    This talk will discuss effective structural properties in polycrystalline graphene under the presence of atomic scale heterogeneity. Polycrystallinity is ubiquitous in solids, but theories describing their effective behavior remain limited, particularly when heterogeneity is present in the form of nonuniform deformation or composition. Over the decades, exploration of the effective transport and strength properties of heterogeneous systems has been carried out mostly with random distribution of grains or regular periodic structures under various approximations, in translating the underlying physics into a single representative volume element. Although heterogeneity can play a critical role in modulating the basic behavior of low-dimensional materials, it is difficult to capture the local characteristics accurately by these approximations. Taking polycrystalline graphene as an example material, we study the effective structural properties (such as Young's Modulus, Poisson's ratio and Toughness) by using a combination of density functional theory and molecular dynamic simulations. We identify the key mechanisms that govern their effective behavior and exploit the understanding to engineer the behavior by doping with a carefully selected choice of chemical elements.

  6. Could Nano-Structured Materials Enable the Improved Pressure Vessels for Deep Atmospheric Probes?

    NASA Technical Reports Server (NTRS)

    Srivastava, D.; Fuentes, A.; Bienstock, B.; Arnold, J. O.

    2005-01-01

    A viewgraph presentation on the use of Nano-Structured Materials to enable pressure vessel structures for deep atmospheric probes is shown. The topics include: 1) High Temperature/Pressure in Key X-Environments; 2) The Case for Use of Nano-Structured Materials Pressure Vessel Design; 3) Carbon based Nanomaterials; 4) Nanotube production & purification; 5) Nanomechanics of Carbon Nanotubes; 6) CNT-composites: Example (Polymer); 7) Effect of Loading sequence on Composite with 8% by volume; 8) Models for Particulate Reinforced Composites; 9) Fullerene/Ti Composite for High Strength-Insulating Layer; 10) Fullerene/Epoxy Composite for High Strength-Insulating Layer; 11) Models for Continuous Fiber Reinforced Composites; 12) Tensile Strength for Discontinuous Fiber Composite; 13) Ti + SWNT Composites: Thermal/Mechanical; 14) Ti + SWNT Composites: Tensile Strength; and 15) Nano-structured Shell for Pressure Vessels.

  7. Temperature dependent chemical and enzymatic probing of the tRNA-like structure of TYMV RNA.

    PubMed

    van Belkum, A; Verlaan, P; Kun, J B; Pleij, C; Bosch, L

    1988-03-25

    In this paper we report on the thermal unfolding of the tRNA-like structure present at the 3' end of turnip yellow mosaic virus (TYMV) RNA. Diethyl pyrocarbonate (DEP), sodium bisulphite, nuclease S1 and ribonuclease T1 were used as structure probes at a broad range of temperatures. In this way most of the nucleotides present in the tRNA-like moiety were analysed. The melting behaviour of both secondary and tertiary interactions could be followed on the basis of the temperature dependent accessibility of the individual nucleotides or bases towards the various probes. The three-dimensional model of the tRNA-like domain (Dumas et al., J. Biomol. Struct. and Dyn. 4, 707 (1987] was supported by the results to a large extent. The interactions occurring between the T- and D-loop appear to be more complex than proposed in the latter model. Additional evidence for the presence of the RNA pseudoknot (Rietveld et al., Nucleic Acids Res. 10, 1929 (1982] was derived from the fact that the three coaxially stacked helical segments in the aminoacylacceptor arm displayed different melting transitions under certain experimental conditions. Aspects of melting behaviour and thermal stability of double helical regions within the tRNA-like structure are discussed, as well as the applicability of nucleases and modifying reagents at various temperatures in the analysis of RNA structure. PMID:2833723

  8. Temperature dependent chemical and enzymatic probing of the tRNA-like structure of TYMV RNA.

    PubMed Central

    van Belkum, A; Verlaan, P; Kun, J B; Pleij, C; Bosch, L

    1988-01-01

    In this paper we report on the thermal unfolding of the tRNA-like structure present at the 3' end of turnip yellow mosaic virus (TYMV) RNA. Diethyl pyrocarbonate (DEP), sodium bisulphite, nuclease S1 and ribonuclease T1 were used as structure probes at a broad range of temperatures. In this way most of the nucleotides present in the tRNA-like moiety were analysed. The melting behaviour of both secondary and tertiary interactions could be followed on the basis of the temperature dependent accessibility of the individual nucleotides or bases towards the various probes. The three-dimensional model of the tRNA-like domain (Dumas et al., J. Biomol. Struct. and Dyn. 4, 707 (1987] was supported by the results to a large extent. The interactions occurring between the T- and D-loop appear to be more complex than proposed in the latter model. Additional evidence for the presence of the RNA pseudoknot (Rietveld et al., Nucleic Acids Res. 10, 1929 (1982] was derived from the fact that the three coaxially stacked helical segments in the aminoacylacceptor arm displayed different melting transitions under certain experimental conditions. Aspects of melting behaviour and thermal stability of double helical regions within the tRNA-like structure are discussed, as well as the applicability of nucleases and modifying reagents at various temperatures in the analysis of RNA structure. Images PMID:2833723

  9. Structural and dynamical properties of complex networks

    NASA Astrophysics Data System (ADS)

    Ghoshal, Gourab

    Recent years have witnessed a substantial amount of interest within the physics community in the properties of networks. Techniques from statistical physics coupled with the widespread availability of computing resources have facilitated studies ranging from large scale empirical analysis of the worldwide web, social networks, biological systems, to the development of theoretical models and tools to explore the various properties of these systems. Following these developments, in this dissertation, we present and solve for a diverse set of new problems, investigating the structural and dynamical properties of both model and real world networks. We start by defining a new metric to measure the stability of network structure to disruptions, and then using a combination of theory and simulation study its properties in detail on artificially generated networks; we then compare our results to a selection of networks from the real world and find good agreement in most cases. In the following chapter, we propose a mathematical model that mimics the structure of popular file-sharing websites such as Flickr and CiteULike and demonstrate that many of its properties can solved exactly in the limit of large network size. The remaining part of the dissertation primarily focuses on the dynamical properties of networks. We first formulate a model of a network that evolves under the addition and deletion of vertices and edges, and solve for the equilibrium degree distribution for a variety of cases of interest. We then consider networks whose structure can be manipulated by adjusting the rules by which vertices enter and leave the network. We focus in particular on degree distributions and show that, with some mild constraints, it is possible by a suitable choice of rules to arrange for the network to have any degree distribution we desire. In addition we define a simple local algorithm by which appropriate rules can be implemented in practice. Finally, we conclude our

  10. Microsurgery-aided in-situ force probing reveals extensibility and viscoelastic properties of individual stress fibers

    PubMed Central

    Labouesse, Céline; Gabella, Chiara; Meister, Jean-Jacques; Vianay, Benoît; Verkhovsky, Alexander B.

    2016-01-01

    Actin-myosin filament bundles (stress fibers) are critical for tension generation and cell shape, but their mechanical properties are difficult to access. Here we propose a novel approach to probe individual peripheral stress fibers in living cells through a microsurgically generated opening in the cytoplasm. By applying large deformations with a soft cantilever we were able to fully characterize the mechanical response of the fibers and evaluate their tension, extensibility, elastic and viscous properties. PMID:27025817

  11. Structural Properties of Defects in Glassy Liquids.

    PubMed

    Cubuk, Ekin D; Schoenholz, Samuel S; Kaxiras, Efthimios; Liu, Andrea J

    2016-07-01

    At zero temperature a disordered solid corresponds to a local minimum in the energy landscape. As the temperature is raised or the system is driven with a mechanical load, the system explores different minima via dynamical events in which particles rearrange their relative positions. We have shown recently that the dynamics of particle rearrangements are strongly correlated with a structural quantity associated with each particle, "softness", which we can identify using supervised machine learning. Particles of a given softness have a well-defined energy scale that governs local rearrangements; because of this property, softness greatly simplifies our understanding of glassy dynamics. Here we investigate the correlation of softness with other commonly used structural quantities, such as coordination number and local potential energy. We show that although softness strongly correlates with these properties, its predictive power for rearrangement dynamics is much higher. We introduce a useful metric for quantifying the quality of structural quantities as predictors of dynamics. We hope that, in the future, authors introducing new structural measures of dynamics will compare their proposals quantitatively to softness using this metric. We also show how softness correlations give insight into rearrangements. Finally, we explore the physical meaning of softness using unsupervised dimensionality reduction and reduced curve-fitting models, and show that softness can be recast in a form that is amenable to analytical treatment. PMID:27092716

  12. Probing the clumping structure of giant molecular clouds through the spectrum, polarisation and morphology of X-ray reflection nebulae

    NASA Astrophysics Data System (ADS)

    Molaro, Margherita; Khatri, Rishi; Sunyaev, Rashid A.

    2016-04-01

    We introduce a new method for probing global properties of clump populations in giant molecular clouds (GMCs) in the case where these act as X-ray reflection nebulae (XRNe), based on the study of the clumping's overall effect on the reflected X-ray signal, in particular on the Fe K-α line's shoulder. We consider the particular case of Sgr B2, one of the brightest and most massive XRN in the Galactic center (GC) region. We parametrise the gas distribution inside the cloud using a simple clumping model with theslope of the clump mass function (α), the minimum clump mass (mmin), the fraction of the cloud's mass contained in clumps (fDGMF), and the mass-size relation of individual clumps as free parameters, and investigate how these affect the reflected X-ray spectrum. In the case of very dense clumps, similar to those presently observed in Sgr B2, these occupy a small volume of the cloud and present a small projected area to the incoming X-ray radiation. We find that these contribute negligibly to the scattered X-rays. Clump populations with volume-filling factors of >10-3 do leave observational signatures, that are sensitive to the clump model parameters, in the reflected spectrum and polarisation. Future high angular resolution X-ray observations could therefore complement the traditional optical and radio observations of these GMCs, and prove to be a powerful probe in the study of their internal structure. Clumps in GMCs should further be visible both as bright spots and regions of heavy absorption in high resolution X-ray observations. We therefore also study the time-evolution of the X-ray morphology, under illumination by a transient source, as a probe of the 3D distribution and column density of individual clumps by future X-ray observatories.

  13. Scanning probe microscopy investigations of the electrical properties of chemical vapor deposited graphene grown on a 6H-SiC substrate.

    PubMed

    Gajewski, Krzysztof; Kopiec, Daniel; Moczała, Magdalena; Piotrowicz, Adam; Zielony, Michał; Wielgoszewski, Grzegorz; Gotszalk, Teodor; Strupiński, Włodek

    2015-01-01

    Sublimated graphene grown on SiC is an attractive material for scientific investigations. Nevertheless the self limiting process on the Si face and its sensitivity to the surface quality of the SiC substrates may be unfavourable for later microelectronic processes. On the other hand, chemical vapor deposited (CVD) graphene does not posses such disadvantages, so further experimental investigation is needed. In this paper CVD grown graphene on 6H-SiC (0001) substrate was investigated using scanning probe microscopy (SPM). Electrical properties of graphene were characterized with the use of: scanning tunnelling microscopy, conductive atomic force microscopy (C-AFM) with locally performed C-AFM current-voltage measurements and Kelvin probe force microscopy (KPFM). Based on the contact potential difference data from the KPFM measurements, the work function of graphene was estimated. We observed conductance variations not only on structural edges, existing surface corrugations or accidental bilayers, but also on a flat graphene surface. PMID:25203361

  14. Effects of axial heat conduction and material properties on the performance characteristics of a thermal transient anemometer probe

    SciTech Connect

    Bailey, J.L.; Page, R.J.; Acharya, M.

    1995-07-01

    This paper describes an investigation of the axial heat transfer within a thermal transient anemometer probe. A previous study, evaluated the performance characteristics of a thermal transient anemometer system. The study revealed discrepancies between a simplified theory and test results in the development of a universal calibration curve for probes of varying diameters. Although the cause of these discrepancies were left uncertain due to an inadequate theoretical model, the study suggested that axial conduction within the probe could account for the deviations. In this paper, computer simulations are used to further investigate axial heat conduction within the probes. The effect on calibration of axial variations of material properties along the probes is also discussed. Results from the computer simulation are used in lieu of the theoretical model used in the previous study to develop a satisfactory universal calibration curve. The computer simulations provide evidence that there is significant axial heat conduction within the probes, and that this was the cause of the discrepancies noted in the previous study.

  15. Probing Interstellar Silicate Dust Grain Properties in Quasar Absorption Systems at Redshifts z<1.4

    NASA Astrophysics Data System (ADS)

    Aller, M.; Kulkarni, V. P.; York, D. G.; Welty, D. E.; Vladilo, G.; Som, D.

    Absorption lines in the spectra of distant quasars whose sightlines serendipitously pass through foreground galaxies provide a valuable tool to simultaneously probe the dust and gas compositions of the interstellar medium (ISM) in galaxies. In particular, the damped and sub-damped Lyman- α (DLA/sub-DLA) absorbers trace gas-rich galaxies, independent of the intrinsic luminosities or star-formation rates of the associated galaxy stellar populations. The first evidence of silicate dust in a quasar absorption system was provided through our detection of the 10 µ m silicate feature in the z=0.52 DLA absorber toward the quasar AO 0235+164. We present results from 2 follow-up programs using archival Spitzer Space Telescope infrared spectra to study the interstellar silicate dust grain properties in a total of 13 quasar absorption systems at 0.1 < z < 1.4. We find clear detections of the 10 µ m silicate feature in the quasar absorption systems studied. In addition, we also detect the 18 µ m silicate feature in the sources with adequate spectral coverage. We find variations in the breadth, peak wavelength, and substructure of the 10 µ m interstellar silicate absorption features among the absorbers. This suggests that the silicate dust grain properties in these distant galaxies may differ relative to one another, and relative to those in the Milky Way. We also find suggestions in several sources, based on comparisons with laboratory-derived profiles from the literature, that the silicate dust grains may be significantly more crystalline than those in the amorphous Milky Way ISM. This is particularly evident in the z=0.89 absorber toward the quasar PKS 1830-211, where substructure near 10 µ m is consistent with a crystalline olivine composition. If confirmed, these grain property variations may have implications for both dust and galaxy evolution over the past 9 Gyrs, and for the commonly-made assumption that highredshift dust is similar to local dust. We also discuss

  16. VIBRATIONALLY EXCITED HCN AROUND AFGL 2591: A PROBE OF PROTOSTELLAR STRUCTURE

    SciTech Connect

    Veach, Todd J.; Groppi, Christopher E.; Hedden, Abigail

    2013-03-10

    Vibrationally excited molecules with submillimeter rotational transitions are potentially excellent probes of physical conditions near protostars. This study uses observations of the v = 1 and v = 2 ro-vibrational modes of HCN (4-3) to probe this environment. The presence or absence and relative strengths of these ro-vibrational lines probe the gas excitation mechanism and physical conditions in warm, dense material associated with protostellar disks. We present pilot observations from the Heinrich Hertz Submillimeter Telescope and follow-up observations from the Submillimeter Array. All vibrationally excited HCN (4-3) v = 0, v = 1, and v = 2 lines were observed. The existence of the three v = 2 lines at approximately equal intensity imply collisional excitation with a density of greater than (10{sup 10} cm{sup -3}) and a temperature of >1000 K for the emitting gas. This warm, high-density material should directly trace structures formed in the protostellar envelope and disk environment. Further, the line shapes of the v = 2 emission may suggest a Keplerian disk. This Letter demonstrates the utility of this technique which is of particular interest due to the recent inauguration of the Atacama Large Millimeter Array.

  17. Structural Properties of the Native Ligamentum Teres

    PubMed Central

    Philippon, Marc J.; Rasmussen, Matthew T.; Turnbull, Travis Lee; Trindade, Christiano A.C.; Hamming, Mark G.; Ellman, Michael B.; Harris, Matthew; LaPrade, Robert F.; Wijdicks, Coen A.

    2014-01-01

    Background: A majority of studies investigating the role of the ligamentum teres (LT) have focused primarily on anatomical and histological descriptions. To date, however, the structural properties of the LT have yet to be fully elucidated. Purpose: To investigate the structural properties of the native LT in a human cadaveric model. Study Design: Descriptive laboratory study. Methods: A total of 12 human cadaveric hemipelvises (mean age, 53.6 years; range, 34-63 years) were dissected free of all extra-articular soft tissues to isolate the LT and its acetabular and femoral attachments. A dynamic tensile testing machine distracted each femur in line with the fibers of the LT at a displacement-controlled rate of 0.5 mm/s. The anatomic dimensions, structural properties, and modes of failure were recorded. Results: The LT achieved a mean yield load of 75 N and ultimate failure load of 204 N. The LT had mean lengths of 38.0 and 53.0 mm at its yield and failure points, respectively. The most common (75% of specimens) mechanism of failure was tearing at the fovea capitis. On average, the LT had a linear stiffness of 16 N/mm and elastic modulus of 9.24 MPa. The mean initial length and cross-sectional area were 32 mm and 59 mm2, respectively. Conclusion: The human LT had a mean ultimate failure load of 204 N. Therefore, the results of this investigation, combined with recent biomechanical and outcomes studies, suggest that special consideration should be given to preserving the structural and corresponding biomechanical integrity of the LT during surgical intervention. Clinical Relevance: The LT may be more important as a static stabilizer of the hip joint than previously recognized. Further studies are recommended to investigate the appropriate indications to perform surgical repair or reconstruction of the LT for preservation of hip stability and function. PMID:26535290

  18. Transmission X-ray scattering as a probe for complex liquid-surface structures

    DOE PAGESBeta

    Fukuto, Masafumi; Yang, Lin; Nykypanchuk, Dmytro; Kuzmenko, Ivan

    2016-01-28

    The need for functional materials calls for increasing complexity in self-assembly systems. As a result, the ability to probe both local structure and heterogeneities, such as phase-coexistence and domain morphologies, has become increasingly important to controlling self-assembly processes, including those at liquid surfaces. The traditional X-ray scattering methods for liquid surfaces, such as specular reflectivity and grazing-incidence diffraction, are not well suited to spatially resolving lateral heterogeneities due to large illuminated footprint. A possible alternative approach is to use scanning transmission X-ray scattering to simultaneously probe local intermolecular structures and heterogeneous domain morphologies on liquid surfaces. To test the feasibilitymore » of this approach, transmission small- and wide-angle X-ray scattering (TSAXS/TWAXS) studies of Langmuir films formed on water meniscus against a vertically immersed hydrophilic Si substrate were recently carried out. First-order diffraction rings were observed in TSAXS patterns from a monolayer of hexagonally packed gold nanoparticles and in TWAXS patterns from a monolayer of fluorinated fatty acids, both as a Langmuir monolayer on water meniscus and as a Langmuir–Blodgett monolayer on the substrate. The patterns taken at multiple spots have been analyzed to extract the shape of the meniscus surface and the ordered-monolayer coverage as a function of spot position. These results, together with continual improvement in the brightness and spot size of X-ray beams available at synchrotron facilities, support the possibility of using scanning-probe TSAXS/TWAXS to characterize heterogeneous structures at liquid surfaces.« less

  19. Transmission X-ray scattering as a probe for complex liquid-surface structures.

    PubMed

    Fukuto, Masafumi; Yang, Lin; Nykypanchuk, Dmytro; Kuzmenko, Ivan

    2016-03-01

    The need for functional materials calls for increasing complexity in self-assembly systems. As a result, the ability to probe both local structure and heterogeneities, such as phase-coexistence and domain morphologies, has become increasingly important to controlling self-assembly processes, including those at liquid surfaces. The traditional X-ray scattering methods for liquid surfaces, such as specular reflectivity and grazing-incidence diffraction, are not well suited to spatially resolving lateral heterogeneities due to large illuminated footprint. A possible alternative approach is to use scanning transmission X-ray scattering to simultaneously probe local intermolecular structures and heterogeneous domain morphologies on liquid surfaces. To test the feasibility of this approach, transmission small- and wide-angle X-ray scattering (TSAXS/TWAXS) studies of Langmuir films formed on water meniscus against a vertically immersed hydrophilic Si substrate were recently carried out. First-order diffraction rings were observed in TSAXS patterns from a monolayer of hexagonally packed gold nanoparticles and in TWAXS patterns from a monolayer of fluorinated fatty acids, both as a Langmuir monolayer on water meniscus and as a Langmuir-Blodgett monolayer on the substrate. The patterns taken at multiple spots have been analyzed to extract the shape of the meniscus surface and the ordered-monolayer coverage as a function of spot position. These results, together with continual improvement in the brightness and spot size of X-ray beams available at synchrotron facilities, support the possibility of using scanning-probe TSAXS/TWAXS to characterize heterogeneous structures at liquid surfaces. PMID:26917140

  20. Probing the solution structure of Factor H using hydroxyl radical protein footprinting and cross-linking.

    PubMed

    Baud, Anna; Gonnet, Florence; Salard, Isabelle; Le Mignon, Maxime; Giuliani, Alexandre; Mercère, Pascal; Sclavi, Bianca; Daniel, Régis

    2016-06-15

    The control protein Factor H (FH) is a crucial regulator of the innate immune complement system, where it is active on host cell membranes and in the fluid phase. Mutations impairing the binding capacity of FH lead to severe autoimmune diseases. Here, we studied the solution structure of full-length FH, in its free state and bound to the C3b complement protein. To do so, we used two powerful techniques, hydroxyl radical protein footprinting (HRPF) and chemical cross-linking coupled with mass spectrometry (MS), to probe the structural rearrangements and to identify protein interfaces. The footprint of C3b on the FH surface matches existing crystal structures of C3b complexed with the N- and C-terminal fragments of FH. In addition, we revealed the position of the central portion of FH in the protein complex. Moreover, cross-linking studies confirmed the involvement of the C-terminus in the dimerization of FH. PMID:27099340

  1. Probing of electronic structures of La@C82 superatoms upon clustering realized using glycine nanocavities

    NASA Astrophysics Data System (ADS)

    Taninaka, Atsushi; Ochiai, Takahiro; Kanazawa, Ken; Takeuchi, Osamu; Shigekawa, Hidemi

    2015-12-01

    We have succeeded in the first direct probe of the change in the electronic structures of La@C82 superatoms upon clustering by scanning tunneling microscopy/spectroscopy (STM/STS). An array of ∼1.3-nm-diameter glycine nanocavities self-assembled on a Cu(111) surface was used as a template. Isolated La@C82 superatoms were stably observed on terraces without diffusion to step edges, which enabled us to observe the change in the electronic structures associated with single, dimer, and clustered La@C82. A cluster with four La@C82 superatoms showed electronic structures similar to those obtained for thin films in previous works.

  2. Pump-probe imaging of laser-induced periodic surface structures after ultrafast irradiation of Si

    SciTech Connect

    Murphy, Ryan D.; Torralva, Ben; Adams, David P.; Yalisove, Steven M.

    2013-09-30

    Ultrafast pump-probe microscopy has been used to investigate laser-induced periodic surface structure (LIPSS) formation on polished Si surfaces. A crater forms on the surface after irradiation by a 150 fs laser pulse, and a second, subsequent pulse forms LIPSS within the crater. Sequentially delayed images show that LIPSS with a periodicity slightly less than the fundamental laser wavelength of 780 nm appear on Si surfaces ∼50 ps after arrival of the second pump laser pulse, well after the onset of melting. LIPSS are observed on the same timescale as material removal, suggesting that their formation involves material ejection.

  3. Resolving the temporal-spatial ambiguity with the Auroral Spatial Structures Probe

    NASA Astrophysics Data System (ADS)

    Farr, Daniel

    The Auroral Spatial Structures Probe (ASSP) is a National Aeronautics and Space Administration (NASA) sounding rocket mission to measure small scale temporal and spatial variations in the Earth's electric and magnetic fields during breakup aurora conditions. Multiple time-separated measurements of the same spatial location must be made in order to resolve the temporal-spatial ambiguity. ASSP achieves multipoint measurements by ejecting a constellation of six subpayloads from the main payload. This thesis develops a method for identifying the optimal ejection vector, propose an automated test plan for calibrating the seven payloads, and discuss several challenges relating to the interpretation of ASSP data.

  4. Use of Venom Peptides to Probe Ion Channel Structure and Function*

    PubMed Central

    Dutertre, Sébastien; Lewis, Richard J.

    2010-01-01

    Venoms of snakes, scorpions, spiders, insects, sea anemones, and cone snails are complex mixtures of mostly peptides and small proteins that have evolved for prey capture and/or defense. These deadly animals have long fascinated scientists and the public. Early studies isolated lethal components in the search for cures and understanding of their mechanisms of action. Ion channels have emerged as targets for many venom peptides, providing researchers highly selective and potent molecular probes that have proved invaluable in unraveling ion channel structure and function. This minireview highlights molecular details of their toxin-receptor interactions and opportunities for development of peptide therapeutics. PMID:20189991

  5. Probing internal structure of {Lambda}(1405) in meson-baryon dynamics with chiral symmetry

    SciTech Connect

    Sekihara, Takayasu; Hyodo, Tetsuo; Jido, Daisuke

    2011-10-21

    The internal structure of the resonant {Lambda}(1405) state is investigated based on meson-baryon coupled-channels chiral dynamics, by evaluating density distributions obtained from the form factors of the {Lambda}(1405) state. The form factors are extracted from current-coupled scattering amplitudes in which the current is coupled to the constituent hadrons inside {Lambda}(1405). Using several probe interactions and channel decomposition, we find that the resonant {Lambda}(1405) state is dominantly composed of widely spread K-bar around N, with a small fraction of the escaping {pi}{Sigma} component.

  6. Probing zeolite internal structures using very low temperature {sup 129}Xe NMR

    SciTech Connect

    Labouriau, A.; Crawford, S.N.; Earl, W.L.; Pietrass, T.; Weber, W.A.; Panjabi, G.; Gates, B.C.

    1998-08-01

    In recent years, probing pore structure with {sup 129}Xe NMR has received a bad reputation. This is due to the fact that the method is more complex than was originally suggested so the data is somewhat difficult to interpret. The authors find that the use of a wide temperature range (40--350 K) allows them to interpret {sup 129}Xe chemical shifts in terms of van der Waals attraction between the xenon atom and oxygen in zeolite walls. Using rather simple models from the literature, they can extract useful pore size information as well as the van der Waals potential energy.

  7. Probing the Inner Structure of Polar Broad Absorption-Line Quasars

    NASA Astrophysics Data System (ADS)

    Ghosh, Kajal

    2008-10-01

    We have discovered a sample of polar broad absorption-line quasars (BALQSOs). We know their inclination angles with reasonable certainty. Thus, these are the ideal objects to probe their inner structure through the X-ray studies. However, to date, we do not have a reasonably good signal-to-noise ratio X-ray spectrum of any of these objects. Here, we propose deep XMM-Newton observations of four polar BALQSOs to study the physical processes responsible for the X-ray emission, distribution of BAL clouds, wind driven mechanism, jet entrainment, etc. Finally, all these results will be used to constrain our time-dependent hydrodynamical simulations.

  8. ZnO(0001) surfaces probed by scanning tunneling spectroscopy: Evidence for an inhomogeneous electronic structure

    NASA Astrophysics Data System (ADS)

    Dumont, J.; Hackens, B.; Faniel, S.; Mouthuy, P.-O.; Sporken, R.; Melinte, S.

    2009-09-01

    The stability of the polar Zn-terminated ZnO surface is probed by low-temperature scanning tunneling microscopy and scanning tunneling spectroscopy (STS). Surface states in the bandgap of ZnO are evidenced by STS and their presence is correlated with the local surface corrugation. Very defective surface regions are characterized by a bulk electronic structure showing a wide bandgap while nanometer-scale defect free regions exhibit a narrower bandgap and surface states. We also image atomically resolved (√3 ×√3 )R30° reconstructions on the defect-free areas.

  9. Ultrafast pump-probe ellipsometry setup for the measurement of transient optical properties during laser ablation.

    PubMed

    Rapp, Stephan; Kaiser, Michael; Schmidt, Michael; Huber, Heinz P

    2016-08-01

    Ultrashort pulsed lasers offer a high potential in precise and efficient material processing and deep understanding of the fundamental laser-material interaction aspects is of great importance. The transient pulse reflectivity in conjunction with the transient absorption influences decisively the laser-material interaction. Direct measurements of the absorption properties by ultrafast time-resolved ellipsometry are missing to date. In this work, a unique pump-probe ellipsometry microscope is presented allowing the determination of the transient complex refractive index with a sub-ps temporal resolution. Measurements on molybdenum show ultrafast optical penetration depth changes of -6% to + 77% already within the first 10 ps after the laser pulse impact. This indicates a significant absorption variation of the pump pulse or subsequent pulses irradiating the sample on this timescale and paves the road towards a better understanding of pulse duration dependent laser ablation efficiency, double or burst mode laser ablation and lattice modifications in the first ps after the laser pulse impact. PMID:27505728

  10. Pilot model expansion tunnel test flow properties obtained from velocity, pressure, and probe measurements

    NASA Technical Reports Server (NTRS)

    Friesen, W. J.; Moore, J. A.

    1973-01-01

    Velocity-profile, pitot-pressure, and supplemental probe measurements were made at the nozzle exist of an expansion tunnel (a modification to the Langley pilot model expansion tube) for a nozzle net condition of a nitrogen test sample with a velocity of 4.5 km/sec and a density 0.005 times the density of nitrogen at standard conditions, both with the nozzle initially immersed in a helium atmosphere and with the nozzle initially evacuated. The purpose of the report is to present the results of these measurements and some of the physical properties of the nitrogen test sample which can be inferred from the measured results. The main conclusions reached are that: the velocity profiles differ for two nozzle conditions; regions of the flow field can be found where the velocity is uniform to within 5 percent and constant for several hundred microseconds; the velocity of the nitrogen test sample is reduced due to passage through the nozzle; and the velocity profiles do not significantly reflect the large variations which occur in the inferred density profiles.

  11. Probing the Local Bubble with Diffuse Interstellar Bands. II. The DIB Properties in the Northern Hemisphere

    NASA Astrophysics Data System (ADS)

    Farhang, Amin; Khosroshahi, Habib G.; Javadi, Atefeh; van Loon, Jacco Th.; Bailey, Mandy; Molaeinezhad, Alireza; Tavasoli, Saeed; Habibi, Farhang; Kourkchi, Ehsan; Rezaei, Sara; Saberi, Maryam; Hardy, Liam

    2015-02-01

    We present a new high signal-to-noise ratio spectroscopic survey of the Northern hemisphere to probe the Local Bubble and its surroundings using the λ5780 Å and λ5797 Å diffuse interstellar bands (DIBs). We observed 432 sightlines to a distance of 200 pc over a duration of three years. In this study, we establish the λ5780 and λ5797 correlations with Na I, Ca II and E B-V, for both inside and outside the Local Bubble. The correlations show that among all neutral and ionized atoms, the correlation between Ca II and λ5780 is stronger than its correlation with λ5797, suggesting that λ5780 is more associated with regions where Ca+ is more abundant. We study the λ5780 correlation with λ5797, which shows a tight correlation within and outside the Local Bubble. In addition, we investigate the DIB properties in UV irradiated and UV shielded regions. We find that, within and beyond the Local Bubble, λ5797 is located in denser parts of clouds, protected from UV irradiation, while λ5780 is located in the low-density regions of clouds.

  12. Using Nadir and Directional Emissivity as a Probe of Particle Microphysical Properties

    NASA Astrophysics Data System (ADS)

    Pitman, Karly M.; Wolff, Michael J.; Bandfield, Joshua L.; Clayton, Geoffrey C.

    Real surfaces are not expected to be diffuse emitters, thus observed emissivity values of surface dust deposits are a function of viewing geometry. Attempts to model infrared emission spectral profiles of surface dust deposits at nadir have not yet matured to match the sophistication of astrophysical dust radiative transfer codes. In the absence of strong thermal gradients, directional emissivity may be obtained theoretically via a combination of reciprocity and Kirchhoff's Law. Owing to a lack of laboratory data on directional emissivity for comparison, theorists have not explored the potential utility of directional emissivity as a direct probe of surface dust microphysical properties. Motivated by future analyses of MGS/TES emission phase function (EPF) sequences and the upcoming Mars Exploration Rover mini-TES dataset, we explore the effects of dust particle size and composition on observed radiances at nadir and off-nadir geometries in the TES spectral regime using a combination of multiple scattering radiative transfer and Mie scattering algorithms. Comparisons of these simulated spectra to laboratory spectra of standard mineral assemblages will also be made. This work is supported through NASA grant NAGS-9820 (MJW) and LSU Board of Regents (KMP).

  13. PROBING THE LOCAL BUBBLE WITH DIFFUSE INTERSTELLAR BANDS. II. THE DIB PROPERTIES IN THE NORTHERN HEMISPHERE

    SciTech Connect

    Farhang, Amin; Khosroshahi, Habib G.; Javadi, Atefeh; Molaeinezhad, Alireza; Tavasoli, Saeed; Habibi, Farhang; Kourkchi, Ehsan; Rezaei, Sara; Saberi, Maryam; Van Loon, Jacco Th.; Bailey, Mandy; Hardy, Liam

    2015-02-10

    We present a new high signal-to-noise ratio spectroscopic survey of the Northern hemisphere to probe the Local Bubble and its surroundings using the λ5780 Å and λ5797 Å diffuse interstellar bands (DIBs). We observed 432 sightlines to a distance of 200 pc over a duration of three years. In this study, we establish the λ5780 and λ5797 correlations with Na I, Ca II and E {sub B-V}, for both inside and outside the Local Bubble. The correlations show that among all neutral and ionized atoms, the correlation between Ca II and λ5780 is stronger than its correlation with λ5797, suggesting that λ5780 is more associated with regions where Ca{sup +} is more abundant. We study the λ5780 correlation with λ5797, which shows a tight correlation within and outside the Local Bubble. In addition, we investigate the DIB properties in UV irradiated and UV shielded regions. We find that, within and beyond the Local Bubble, λ5797 is located in denser parts of clouds, protected from UV irradiation, while λ5780 is located in the low-density regions of clouds.

  14. Probing electric properties at the boundary of planar 2D heterostructure

    NASA Astrophysics Data System (ADS)

    Park, Jewook

    The quest for novel two-dimensional (2D) materials has led to the discovery of hybridized 2D atomic crystals. Especially, planar 2D heterostructure provides opportunities to explore fascinating electric properties at abrupt one-dimensional (1D) boundaries reminiscent to those seen in the 2D interfaces of complex oxides. By implementing the concept of epitaxy to 2D space, we developed a new growth technique to epitaxially grow hexagonal boron nitride (hBN) from the edges of graphene, forming a coherent planar heterostructure. At the interface of hBN and graphene, a polar-on-nonpolar 1D boundary can be formed which is expected to possess peculiar electronic states associated with the polarity of hBN and edge states of graphene Scanning tunneling microscopy and spectroscopy (STM/S) measurements revealed an abrupt 1D zigzag oriented boundary, with boundary states about 0.6 eV below or above the Fermi level depending on the termination of the hBN at the boundary. The boundary states are extended along the boundary and exponentially decay into the bulk of graphene and hBN. Combined STM/S and first-principles theory study not only disclose spatial and energetic distribution of interfacial state but also reveal the origin of boundary states and the effect of the polarity discontinuity at the interface By probing electric properties at the boundary in the atomic scale, planar 2D heterostructure is demonstrated as a promising platform for discovering emergent phenomena at the 1D interface in 2D materials. This research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility.

  15. Structure-property relationships of bismaleimides

    NASA Astrophysics Data System (ADS)

    Tenteris-Noebe, Anita Diane

    The purpose of this research was to control and systematically vary the network topology of bismaleimides through cure temperature and chemistry (addition of various coreactants) and subsequently attempt to determine structure-mechanical property relationships. Characterization of the bismaleimide structures by dielectric, rheological, and thermal analyses, and density measurements was subsequently correlated with mechanical properties such as modulus, yield strength, fracture energy, and stress relaxation. The model material used in this investigation was 4,4sp'-bismaleimidodiphenyl methane (BMI). BMI was coreacted with either 4,4sp'-methylene dianiline (MDA), o,osp'-diallyl bisphenol A (DABA) from Ciba Geigy, or diamino diphenyl sulfone (DDS). Three cure paths were employed: a low-temperature cure of 140sp°C where chain extension should predominate, a high-temperature cure of 220sp°C where both chain extension and crosslinking should occur simultaneously, and a low-temperature (140sp°C) cure followed immediately by a high-temperature (220sp°C) cure where the chain extension reaction or amine addition precedes BMI homopolymerization or crosslinking. Samples of cured and postcured PMR-15 were also tested to determine the effects of postcuring on the mechanical properties. The low-temperature cure condition of BMI/MDA exhibited the highest modulus values for a given mole fraction of BMI with the modulus decreasing with decreasing concentration of BMI. The higher elastic modulus is the result of steric hindrance by unreacted BMI molecules in the glassy state. The moduli values for the high- and low/high-temperature cure conditions of BMI/MDA decreased as the amount of diamine increased. All the moduli values mimic the yield strength and density trends. For the high-temperature cure condition, the room-temperature modulus remained constant with decreasing mole fraction of BMI for the BMI/DABA and BMI/DDS systems. Postcuring PMR-15 increases the modulus over that

  16. Structure-Property Relationships of Bismaleimides

    NASA Technical Reports Server (NTRS)

    Tenteris-Noebe, Anita D.

    1997-01-01

    The purpose of this research was to control and systematically vary the network topology of bismaleimides through cure temperature and chemistry (addition of various coreactants) and subsequently attempt to determine structure-mechanical property relationships. Characterization of the bismaleimide structures by dielectric, rheological, and thermal analyses, and density measurements was subsequently correlated with mechanical properties such as modulus, yield strength, fracture energy, and stress relaxation. The model material used in this investigation was 4,4'-BismaleiMidodIphenyl methane (BMI). BMI was coreacted with either 4,4'-Methylene Dianiline (MDA), o,o'-diallyl bisphenol A (DABA) from Ciba Geigy, or Diamino Diphenyl Sulfone (DDS). Three cure paths were employed: a low- temperature cure of 140 C where chain extension should predominate, a high-temperature cure of 220 C where both chain extension and crosslinking should occur simultaneously, and a low-temperature (140 C) cure followed immediately by a high-temperature (220 C) cure where the chain extension reaction or amine addition precedes BMI homopolymerization or crosslinking. Samples of cured and postcured PMR-15 were also tested to determine the effects of postcuring on the mechanical properties. The low-temperature cure condition of BMI/MDA exhibited the highest modulus values for a given mole fraction of BMI with the modulus decreasing with decreasing concentration of BMI. The higher elastic modulus is the result of steric hindrance by unreacted BMI molecules in the glassy state. The moduli values for the high- and low/high-temperature cure conditions of BMI/MDA decreased as the amount of diamine increased. All the moduli values mimic the yield strength and density trends. For the high-temperature cure condition, the room- temperature modulus remained constant with decreasing mole fraction of BMT for the BMI/DABA and BMI/DDS systems. Postcuring PMR-15 increases the modulus over that of the cured

  17. Structural properties of impact ices accreted on aircraft structures

    NASA Technical Reports Server (NTRS)

    Scavuzzo, R. J.; Chu, M. L.

    1987-01-01

    The structural properties of ice accretions formed on aircraft surfaces are studied. The overall objectives are to measure basic structural properties of impact ices and to develop finite element analytical procedures for use in the design of all deicing systems. The Icing Research Tunnel (IRT) was used to produce simulated natural ice accretion over a wide range of icing conditions. Two different test apparatus were used to measure each of the three basic mechanical properties: tensile, shear, and peeling. Data was obtained on both adhesive shear strength of impact ices and peeling forces for various icing conditions. The influences of various icing parameters such as tunnel air temperature and velocity, icing cloud drop size, material substrate, surface temperature at ice/material interface, and ice thickness were studied. A finite element analysis of the shear test apparatus was developed in order to gain more insight in the evaluation of the test data. A comparison with other investigators was made. The result shows that the adhesive shear strength of impact ice typically varies between 40 and 50 psi, with peak strength reaching 120 psi and is not dependent on the kind of substrate used, the thickness of accreted ice, and tunnel temperature below 4 C.

  18. Electronic structure and optical properties of resin

    NASA Astrophysics Data System (ADS)

    Rao, Zhi-Fan; Zhou, Rong-Feng

    2013-03-01

    We used the density of functional theory (DFT) to study the electronic structure and density of states of resin by ab initio calculation. The results show the band gap of resin is 1.7 eV. The covalent bond is combined C/O atoms with H atoms. The O 2p orbital is the biggest effect near the Fermi level. The results of optical properties show the reflectivity is low, and the refractive index is 1.7 in visible light range. The highest absorption coefficient peak is in 490 nm and the value is 75,000.

  19. Nanostructured lead sulfide: synthesis, structure and properties

    NASA Astrophysics Data System (ADS)

    Sadovnikov, S. I.; Gusev, A. I.; Rempel, A. A.

    2016-07-01

    The theoretical and experimental results of recent studies dealing with nanostructured lead sulfide are summarized and analyzed. The key methods for the synthesis of nanostructured lead sulfide are described. The crystal structure of PbS in nanopowders and nanofilms is discussed. The influence of the size of nanostructure elements on the optical and thermal properties of lead sulfide is considered. The dependence of the band gap of PbS on the nanoparticle (crystallite) size for powders and films is illustrated. The bibliography includes 222 references.

  20. Structure and properties of a beryllium dilayer

    SciTech Connect

    Boettger, J.C.; Trickey, S.B.

    1985-07-15

    All-electron, density-functional calculations on an hcp Be dilayer find c/a at equilibrium to be 1.69 +- 0.03, a = 4.20 +- 0.02 a.u. (Kohn, Sham, Gaspar) or c/a = 1.69 +- 0.02, a = 4.10 +- 0.03 a.u. (Hedin and Lundqvist). In either case there is very weak interplanar bonding. While these structural properties are noticeably different from those of the bulk crystal, the dilayer work function (Hedin and Lundqvist) is essentially identical to the experimental bulk value.

  1. Structure and properties of a beryllium dilayer

    NASA Astrophysics Data System (ADS)

    Boettger, J. C.; Trickey, S. B.

    1985-07-01

    All-electron, density-functional calculations on an hcp Be dilayer find c/a at equilibrium to be 1.69+/-0.03, a=4.20+/-0.02 a.u. (Kohn, Sham, Gaspar) or c/a=1.69+/-0.02, a=4.10+/-0.03 a.u. (Hedin and Lundqvist). In either case there is very weak interplanar bonding. While these structural properties are noticeably different from those of the bulk crystal, the dilayer work function (Hedin and Lundqvist) is essentially identical to the experimental bulk value.

  2. Chiral Vibrational Structures of Proteins at Interfaces Probed by Sum Frequency Generation Spectroscopy

    PubMed Central

    Fu, Li; Wang, Zhuguang; Yan, Elsa C.Y.

    2011-01-01

    We review the recent development of chiral sum frequency generation (SFG) spectroscopy and its applications to study chiral vibrational structures at interfaces. This review summarizes observations of chiral SFG signals from various molecular systems and describes the molecular origins of chiral SFG response. It focuses on the chiral vibrational structures of proteins and presents the chiral SFG spectra of proteins at interfaces in the C-H stretch, amide I, and N-H stretch regions. In particular, a combination of chiral amide I and N-H stretches of the peptide backbone provides highly characteristic vibrational signatures, unique to various secondary structures, which demonstrate the capacity of chiral SFG spectroscopy to distinguish protein secondary structures at interfaces. On the basis of these recent developments, we further discuss the advantages of chiral SFG spectroscopy and its potential application in various fields of science and technology. We conclude that chiral SFG spectroscopy can be a new approach to probe chiral vibrational structures of protein at interfaces, providing structural and dynamic information to study in situ and in real time protein structures and dynamics at interfaces. PMID:22272140

  3. Charge carrier transport properties in layer structured hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Doan, T. C.; Li, J.; Lin, J. Y.; Jiang, H. X.

    2014-10-01

    Due to its large in-plane thermal conductivity, high temperature and chemical stability, large energy band gap (˜ 6.4 eV), hexagonal boron nitride (hBN) has emerged as an important material for applications in deep ultraviolet photonic devices. Among the members of the III-nitride material system, hBN is the least studied and understood. The study of the electrical transport properties of hBN is of utmost importance with a view to realizing practical device applications. Wafer-scale hBN epilayers have been successfully synthesized by metal organic chemical deposition and their electrical transport properties have been probed by variable temperature Hall effect measurements. The results demonstrate that undoped hBN is a semiconductor exhibiting weak p-type at high temperatures (> 700 °K). The measured acceptor energy level is about 0.68 eV above the valence band. In contrast to the electrical transport properties of traditional III-nitride wide bandgap semiconductors, the temperature dependence of the hole mobility in hBN can be described by the form of μ ∝ (T/T0)-α with α = 3.02, satisfying the two-dimensional (2D) carrier transport limit dominated by the polar optical phonon scattering. This behavior is a direct consequence of the fact that hBN is a layer structured material. The optical phonon energy deduced from the temperature dependence of the hole mobility is ħω = 192 meV (or 1546 cm-1), which is consistent with values previously obtained using other techniques. The present results extend our understanding of the charge carrier transport properties beyond the traditional III-nitride semiconductors.

  4. Probing the graphite band structure with resonant soft-x-ray fluorescence

    SciTech Connect

    Carlisle, J.A.; Shirley, E.L.; Hudson, E.A.

    1997-04-01

    Soft x-ray fluorescence (SXF) spectroscopy using synchrotron radiation offers several advantages over surface sensitive spectroscopies for probing the electronic structure of complex multi-elemental materials. Due to the long mean free path of photons in solids ({approximately}1000 {angstrom}), SXF is a bulk-sensitive probe. Also, since core levels are involved in absorption and emission, SXF is both element- and angular-momentum-selective. SXF measures the local partial density of states (DOS) projected onto each constituent element of the material. The chief limitation of SXF has been the low fluorescence yield for photon emission, particularly for light elements. However, third generation light sources, such as the Advanced Light Source (ALS), offer the high brightness that makes high-resolution SXF experiments practical. In the following the authors utilize this high brightness to demonstrate the capability of SXF to probe the band structure of a polycrystalline sample. In SXF, a valence emission spectrum results from transitions from valence band states to the core hole produced by the incident photons. In the non-resonant energy regime, the excitation energy is far above the core binding energy, and the absorption and emission events are uncoupled. The fluorescence spectrum resembles emission spectra acquired using energetic electrons, and is insensitive to the incident photon`s energy. In the resonant excitation energy regime, core electrons are excited by photons to unoccupied states just above the Fermi level (EF). The absorption and emission events are coupled, and this coupling manifests itself in several ways, depending in part on the localization of the empty electronic states in the material. Here the authors report spectral measurements from highly oriented pyrolytic graphite.

  5. Structural and optical properties of nanostructured nickel

    NASA Astrophysics Data System (ADS)

    Singh, J.; Pandey, J.; Gupta, R.; Kaurav, N.; Tripathi, J.

    2016-05-01

    Metal nanoparticles are attractive because of their special structure and better optical properties. Nickel nanoparticles (Ni-Np) have been synthesized successfully by thermal decomposition method in the presence of trioctyl phosphine (TOP) and oleylamine (OAm). The samples were characterized by X-ray diffraction (XRD), Zetapotential measurement and Fourier transforms infrared (FTIR) spectroscopy. The size of Ni nanoparticles can be readily tuned from 13.86 nm. As-synthesized Ni nanoparticles have hexagonal closed pack (hcp) cubic structure as characterized by power X-ray diffraction (XRD) prepared at 280°C. The possible formation mechanism has also been phenomenological proposed for as synthesized Ni-Np. The value of Zeta potential was found 12.25 mV.

  6. Properties of multilayer nonuniform holographic structures

    SciTech Connect

    Pen, E F; Rodionov, Mikhail Yu

    2010-12-09

    Experimental results and analysis of properties of multilayer nonuniform holographic structures formed in photopolymer materials are presented. The theoretical hypotheses is proved that the characteristics of angular selectivity for the considered structures have a set of local maxima, whose number and width are determined by the thicknesses of intermediate layers and deep holograms and that the envelope of the maxima coincides with the selectivity contour of a single holographic array. It is also experimentally shown that hologram nonuniformities substantially distort shapes of selectivity characteristics: they become asymmetric, the local maxima differ in size and the depths of local minima reduce. The modelling results are made similar to experimental data by appropriately choosing the nonuniformity parameters. (imaging and image processing. holography)

  7. Giant radio galaxies as effective probes of X-ray gas in large-scale structure

    NASA Astrophysics Data System (ADS)

    Saripalli, Lakshmi; Subrahmanyan, Ravi; Malarecki, Jurek; Jones, Heath; Staveley-Smith, Lister

    2015-08-01

    Giant radio galaxies are AGNs with relativistic jets that dynamically evolve into Mpc scale synchrotron lobes around the host elliptical. The thermal gas environment influences the jet advance and lobe formation. Since the host ellipticals are in filamentary low-density galaxy environments, the ambient gas for the Mpc-scale radio structures is likely the warm-hot X-ray gas inhabiting the intergalactic medium. We have, therefore, used large radio galaxies as probes of the distribution of hot and tenuous gas on mega-parsec scales in these relatively low density large-scale structures.For a sample of 19 giant radio galaxies we obtained radio continuum images of the synchrotron structures, and redshifts of a total of nearly 9000 galaxies in their vicinity. The 2-degree field redshift data traces the large-scale galaxy structure around the radio sources. The radio-optical data allows an estimation of the pressure, temperature and distribution of hot thermal gas associated with the large-scale structure in the vicinity of the radio AGN (Malarecki, Staveley-Smith, Saripalli, Subrahmanyan, Jones, Duffy, Rioja 2013, MNRAS 432, 200).Strong correspondence between radio galaxy lobes and galaxy distribution is observed. The data suggests that galaxies trace gas, and that radio jets and lobes of giant radio galaxies are sensitive tracers of gas on mega-parsec scales and may be used as effective probes of the difficult-to-detect IGM (Malarecki, Jones, Saripalli, Stavele-Smith, Subrahmanyan, 2015, MNRAS in press; arXiv150203954).

  8. Extraordinary electronic properties in uncommon structure types

    NASA Astrophysics Data System (ADS)

    Ali, Mazhar Nawaz

    In this thesis I present the results of explorations into several uncommon structure types. In Chapter 1 I go through the underlying idea of how we search for new compounds with exotic properties in solid state chemistry. The ideas of exploring uncommon structure types, building up from the simple to the complex, using chemical intuition and thinking by analogy are discussed. Also, the history and basic concepts of superconductivity, Dirac semimetals, and magnetoresistance are briefly reviewed. In chapter 2, the 1s-InTaS2 structural family is introduced along with the discovery of a new member of the family, Ag0:79VS2; the synthesis, structure, and physical properties of two different polymorphs of the material are detailed. Also in this chapter, we report the observation of superconductivity in another 1s structure, PbTaSe2. This material is especially interesting due to it being very heavy (resulting in very strong spin orbit coulping (SOC)), layered, and noncentrosymmetric. Electronic structure calculations reveal the presence of a bulk 3D Dirac cone (very similar to graphene) that is gapped by SOC originating from the hexagonal Pb layer. In Chapter 3 we show the re-investigation of the crystal structure of the 3D Dirac semimetal, Cd3As2. It is found to be centrosymmetric, rather than noncentrosymmetric, and as such all bands are spin degenerate and there is a 4-fold degenerate bulk Dirac point at the Fermi level, making Cd3As2 a 3D electronic analog to graphene. Also, for the first time, scanning tunneling microscopy experiments identify a 2x2 surface reconstruction in what we identify as the (112) cleavage plane of single crystals; needle crystals grow with a [110] long axis direction. Lastly, in chapter 4 we report the discovery of "titanic" (sadly dubbed ⪉rge, nonsaturating" by Nature editors and given the acronym XMR) magnetoresistance (MR) in the non-magnetic, noncentrosymmetric, layered transition metal dichalcogenide WTe2; over 13 million% at 0.53 K in

  9. 'Trunk-like' ion structures observed by the Van Allen Probes

    NASA Astrophysics Data System (ADS)

    Zhang, J.; Kistler, L. M.; Spence, H.; Wolf, R.; Reeves, G. D.; Skoug, R. M.; Funsten, H. O.; Larsen, B.; Niehof, J. T.; MacDonald, E.; Friedel, R. H.

    2013-12-01

    Dynamic ion spectral features in the inner magnetosphere are the observational signatures of ion acceleration, transport, and loss in the global magnetosphere. In this study, we report 'trunk-like' ion structures observed in situ by the Van Allen Probes on 2 November 2012. The trunk structures are present in heavy ions but not in H+. For the particular event, ion energies in the He+ trunks, located at L = 3.7-2.6, MLT = 8.8-10.3, and MLAT = -2.0-0.03°, vary monotonically from 3.5 to 0.04 keV. It is suggested that the trunk phenomenon is due to a combination of 1) deeper ion injections from storm activity, 2) the longer charge exchange lifetimes of heavy ions than H+, 3) the separation of a narrow layer of ions around the Alfvén layer from other convecting ions, and 4) the trajectory of the Van Allen Probes (i.e., an orbital effect). Both observation analysis and numerical modeling are utilized in the study.

  10. Modifications of the structure of the pericellular matrix measured via optical force probe microscopy

    NASA Astrophysics Data System (ADS)

    McLane, Louis; Kramer, Anthony; Chang, Patrick; Curtis, Jennifer

    2013-03-01

    The pericellular matrix is a large protein and polysaccharide rich polymer layer attached to the surface of many cells, and which often extends several microns out from the cell surface into the surrounding extracellular space. Here we study the intrinsic nature and modifications of the structure of the pericellular coat on rat chondrocytes with the use of optical force probe microscopy. Optical force probe studies allow us to make both dynamic force measurements as well as equilibrium force measurements throughout the coat. These force measurements are used to observe the structural change in the coat with the addition of exogenous aggrecan. Not only does addition of exogenous aggrecan dramatically swell our coat to well over twice in size, our analysis indicates that the addition of exogenous aggrecan decreases the mesh size throughout the coat. We speculate that the added aggrecan binds to available binding sites along the hyaluronan chain, both enlarging the coat's size as well as tightening up the opening within the coat. We further suggest that the available binding sites for the exogenous aggrecan are abundant in the outer edges of the coat, as both the dynamic and equilibrium forces in this region are changed. Here, both force measurements show that forces closest to the cell membrane remain relatively unchanged, while the forces in the outer region of the coat are increased. These results are consistent with those obtained with complementary measurements using quantitative particle exclusion assays.

  11. Structural properties of reduced Upton montmorillonite

    NASA Astrophysics Data System (ADS)

    Gates, W. P.; Stucki, J. W.; Kirkpatrick, R. J.

    1996-12-01

    Reduction of octahedral Fe in the crystalline structure of smectites influences, possibly controls, surface-sensitive physical and chemical properties. The purpose of this study was to investigate if reduction of structural Fe by Na-dithionite or bacteria affects the chemical environment of constituent cations in montmorillonite, employing solid state multinuclear (29Si and 27Al) magic angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy. Reduction of structural Fe resulted in a positive (down field) chemical shift of the main Si Q3 (Q3(0Al)) site which was strongly correlated with Fe(II) content and inferred that distortions in Si-OT (T=Si, Al) bond angles and Si-O bond lengths occur with increasing layer charge. The line width (W) of the 29Si Q3 signal also increased with increasing levels of reduction. No change occurred in the position of the peak maximum for the octahedral Al (27AlVI) signal; however, an increased W was observed for this peak with increasing Fe(II) content. These results are attributed to decreases in Si-O-T bond angles and Si-O bond distances, corresponding to a better fit between the tetrahedral and octahedral sheets brought about by the presence of Fe(II) in the clay structure. The increased 27AlVI signal width (W) may also be due to a lessening of the paramagnetic influence of Fe(III) nuclei and enhancement of 27AlVI signals with different quadrupole coupling constants (QCC). Multinuclear MAS NMR analyses of dithioniteand microbially-reduced montmorillonite indicate that reduction of structural Fe caused reversible changes in the smectite structure, at least as far as this method could discern.

  12. Use of fluorescent probes that form intramolecular excimers to monitor structural changes in model and biological membranes.

    PubMed Central

    Melnick, R L; Haspel, H C; Goldenberg, M; Greenbaum, L M; Weinstein, S

    1981-01-01

    1,3-dipyrenylpropane (PC3P) and bis(4-biphenylmethyl)ether, two molecules that form intramolecular excimers, were embedded in phospholipid vesicles and biological membranes to monitor dynamic properties of membrane lipids. Excimer formation was evaluated from determinations of excimer to monomer emission intensity ratios (ID/IM). ID/IM values of PC3P and bis(4-biphenylmethyl)ether were reduced when cholesterol was added to egg lecithin vesicles. PC3P was sensitive to the temperature-induced crystalline to liquid-crystalline phase transition in dimyristoyl phosphatidylcholine vesicles. For studies of cellular membranes, membranes, PC3P was used exclusively, because of the fluorescence of tryptophan residues of membrane proteins interferes with the responses bis(4-biphenylmethyl)ether. Microviscosities of membrane interiors were calculated from standard curves of IM/ID plotted against solvent viscosity. Microviscosity values of egg lecithin vesicles and biological membranes, especially those obtained with PC3P, were more than an order of magnitude lower than values obtained by other techniques. We concluded that the intramolecular process leading to the formation of the excimer is influenced differently in isotropic solvents than in anisotropic environments, such as lipid bilayers. Although distinguishable ID/IM ratios can be obtained for different biological membranes (mitochondrial, microsomal, and plasma membranes were studied), this parameter may be phenomenological and not simply related to membrane microviscosity. As such, fluorescent probes that form intramolecular excimers are of value in making qualitative comparisons of different membranes and in studying the relative effects of physical changes and chemical agents on membrane structure. These probes may also be valuable for studying structural anisotropy of biological membranes. PMID:7248471

  13. Structural properties of autoclaved aerated concrete masonry

    SciTech Connect

    Matthys, J.H.; Nelson, R.L.

    1999-07-01

    Autoclaved aerated concrete masonry units are manufactured from portland cement, quartz sand, water, lime, gypsum and a gas forming agent. The units are steam cured under pressure in an autoclave transforming the material into a hard calcium silicate. The autoclaved aerated concrete masonry units are large-size solid rectangular prisms which are laid using thin-bed mortar layers into masonry assemblages. The system and product are not new--patented in 1924 by Swedish architect Johan Eriksson. Over a period of 60 years this product has been used in all areas of residential and industrial construction and in virtually all climates. However, the principal locations of application have been generally outside the US Little information in the US is available on the structural properties of this product. Due to the interest in use of this product in the construction industry and the construction of production plants in the US, the Construction Research Center at the University of Texas at Arlington and Robert L. Nelson & Associates conducted a series of tests to determine some of the basic structural properties of this product. This paper presents the findings of those investigations.

  14. Repair material properties for effective structural application

    SciTech Connect

    Mangat, P.S.; Limbachiya, M.C.

    1997-04-01

    Strength and engineering properties of three generic repair materials which are likely to influence long-term performance of repaired concrete structures were studied. Measured properties include strength, stiffness, shrinkage and creep deformations, together with the complete compressive stress-strain characteristics including post-cracking behavior. The repair materials considered in this investigation are commercially available and widely used. These included a high performance non-shrinkable concrete, a mineral based cementitious material with no additives or coarse aggregate size particles, and a cementitious mortar containing styrene acrylic copolymer with fiber additives. Performance comparisons are also made between these materials and plain concrete mixes of similar strength and stiffness, suitable for repair applications. The results show that shrinkage of the repair materials was significantly greater than the shrinkage of normal concrete. Moreover, the shrinkage of those modified with a polymer admixture was found to be very sensitive to the relative humidity of the exposure compared to normal concrete. The post-peak strain capacity of the material modified with a polymer admixture was markedly improved leading to a more pronounced falling branch of stress-strain curve. The ultimate stress level (at a maximum load) of specially formulated repair materials varies significantly, the lowest ultimate stress being recorded for the porous mineral-based material. The inclusion of aggregates improves the mechanical properties and dimensional stability of repair materials.

  15. Frequency Methods Applied to the Characterization of the Thermophysical Properties of a Granular Material with a Cylindrical Probe

    NASA Astrophysics Data System (ADS)

    Carpentier, Olivier; Defer, Didier; Antczak, Emmanuel; Chartier, Thierry

    2012-01-01

    In many fields, such as in the agri-food industry or in the building industry, it is important to be able to monitor the thermophysical properties of granular materials. Regular thermal probes allow for the determination of one or several thermophysical factors. The success of the method used depends in part on the nature of the signal sent, on the type of physical model applied and eventually on the type of probe used and its implantation in the material. Although efficacious for most applications, regular thermal probes do present some limitations. It is the case, for example, when one has to know precisely the thermal contact resistance or the nature of the signal sent. In this article is presented a characterization method based on thermal impedance formalism. This method allows for the determination of the thermal conductivity, the thermal diffusivity, and the contact thermal resistance in one single test. The application of this method requires the use of a specific probe developed to enable measurement of heat flux and temperature at the interface of the probe and the studied material. Its practical application is presented for dry sand.

  16. A transient molecular probe for characterizing the surface properties of TiO II nanoparticle in colloidal solution

    NASA Astrophysics Data System (ADS)

    Weng, Yu-Xiang; Du, Lu-Chao; Zhang, Qing-Li

    2006-08-01

    A transient molecular probe for characterization of the surface properties of TiO II nanoparticles in colloidal solution has been developed recently in our laboratory. The probe molecule is all-trans-retinoic acid (ATRA) adsorbed on the TiO2 nanoparticle surface. After photoexcitation, the photoinduced interfacial charge recombination would generate ATRA triplet state (ATRA T) with a substantial quantum yield. While the quantum yield of triplet ATRA generated in the solution phase is substantially low, which renders the interfacial-charge-recombination generated triplet ATRA being a transient probe molecule specific only to the interface. It is found that the triplet-triplet absorption spectrum of ATRA adsorbed molecule is sensitive to its binding form with the surface Ti atom through the carboxylic group, as well as to the polarity of the medium. Especially the apparent lifetime of ATRA T at the TiO II surface changes substantially when the local polarity around the TiO II nanoparticle changes. We found that the ATRAT monolayer adsorbed at the TiO II surface can be used as a transient molecular probe for the surface binding forms, coordination state of the surface Ti atoms and the light-induced wettability change of the TiO II nanoparticle. TiO II nanoparticle, all-trans-retinoic acid, molecular probe, interfacial charge recombination, surface binding form, light-induced wettability change.

  17. Probing the structure of complex solids using a distributed computing approach-Applications in zeolite science

    SciTech Connect

    French, Samuel A.; Coates, Rosie; Lewis, Dewi W.; Catlow, C. Richard A.

    2011-06-15

    We demonstrate the viability of distributed computing techniques employing idle desktop computers in investigating complex structural problems in solids. Through the use of a combined Monte Carlo and energy minimisation method, we show how a large parameter space can be effectively scanned. By controlling the generation and running of different configurations through a database engine, we are able to not only analyse the data 'on the fly' but also direct the running of jobs and the algorithms for generating further structures. As an exemplar case, we probe the distribution of Al and extra-framework cations in the structure of the zeolite Mordenite. We compare our computed unit cells with experiment and find that whilst there is excellent correlation between computed and experimentally derived unit cell volumes, cation positioning and short-range Al ordering (i.e. near neighbour environment), there remains some discrepancy in the distribution of Al throughout the framework. We also show that stability-structure correlations only become apparent once a sufficiently large sample is used. - Graphical Abstract: Aluminium distributions in zeolites are determined using e-science methods. Highlights: > Use of e-science methods to search configurationally space. > Automated control of space searching. > Identify key structural features conveying stability. > Improved correlation of computed structures with experimental data.

  18. Probing Cytoskeletal Structures by Coupling Optical Superresolution and AFM Techniques for a Correlative Approach

    PubMed Central

    Chacko, Jenu Varghese; Zanacchi, Francesca Cella; Diaspro, Alberto

    2013-01-01

    In this article, we describe and show the application of some of the most advanced fluorescence superresolution techniques, STED AFM and STORM AFM microscopy towards imaging of cytoskeletal structures, such as microtubule filaments. Mechanical and structural properties can play a relevant role in the investigation of cytoskeletal structures of interest, such as microtubules, that provide support to the cell structure. In fact, the mechanical properties, such as the local stiffness and the elasticity, can be investigated by AFM force spectroscopy with tens of nanometers resolution. Force curves can be analyzed in order to obtain the local elasticity (and the Young's modulus calculation by fitting the force curves from every pixel of interest), and the combination with STED/STORM microscopy integrates the measurement with high specificity and yields superresolution structural information. This hybrid modality of superresolution-AFM working is a clear example of correlative multimodal microscopy. PMID:24027190

  19. Scanning Probe Microscopy for Identifying the Component Materials of a Nanostripe Structure

    NASA Astrophysics Data System (ADS)

    Mizuno, Akira; Ando, Yasuhisa

    2010-08-01

    The authors prepared a nanostripe structure in which two types of metal are arranged alternately, and successfully identified the component materials using scanning probe microscopy (SPM) to measure the lateral force distribution image. The nanostripe structure was prepared using a new method developed by the authors and joint development members. The lateral force distribution image was measured in both friction force microscopy (FFM) and lateral modulation friction force microscopy (LM-FFM) modes. In FFM mode, the effect of slope angle appeared in the lateral force distribution image; therefore, no difference in the type of material was observed. On the other hand, in LM-FFM mode, the effect of surface curvature was observed in the lateral force distribution image. A higher friction force on chromium than on gold was identified, enabling material identification.

  20. Gamma-ray pulsar light curves as probes of magnetospheric structure

    NASA Astrophysics Data System (ADS)

    Harding, A. K.

    2016-06-01

    > The large number of -ray pulsars discovered by the Fermi Gamma-Ray Space Telescope since its launch in 2008 dwarfs the handful that were previously known. The variety of observed light curves makes possible a tomography of both the ensemble-averaged field structure and the high-energy emission regions of a pulsar magnetosphere. Fitting the -ray pulsar light curves with model magnetospheres and emission models has revealed that most of the high-energy emission, and the particles acceleration, takes place near or beyond the light cylinder, near the current sheet. As pulsar magnetosphere models become more sophisticated, it is possible to probe magnetic field structure and emission that are self-consistently determined. Light curve modelling will continue to be a powerful tool for constraining the pulsar magnetosphere physics.

  1. Directed self-assembly of quantum structures by nanomechanical stamping using probe tips.

    PubMed

    Taylor, Curtis; Marega, Euclydes; Stach, Eric A; Salamo, Gregory; Hussey, Lindsay; Muñoz, Martin; Malshe, Ajay

    2008-01-01

    We demonstrate that nanomechanically stamped substrates can be used as templates to pattern and direct the self-assembly of epitaxial quantum structures such as quantum dots. Diamond probe tips are used to indent or stamp the surface of GaAs(100) to create nanoscale volumes of dislocation-mediated deformation, which alter the growth surface strain. These strained sites act to bias nucleation, hence allowing for selective growth of InAs quantum dots. Patterns of quantum dots are observed to form above the underlying nanostamped template. The strain state of the patterned structures is characterized by micro-Raman spectroscopy. The potential of using nanoprobe tips as a quantum dot nanofabrication technology are discussed. PMID:21730527

  2. 21-cm radiation: a new probe of variation in the fine-structure constant.

    PubMed

    Khatri, Rishi; Wandelt, Benjamin D

    2007-03-16

    We investigate the effect of variation in the value of the fine-structure constant (alpha) at high redshifts (recombination > z > 30) on the absorption of the cosmic microwave background (CMB) at 21 cm hyperfine transition of the neutral atomic hydrogen. We find that the 21 cm signal is very sensitive to the variations in alpha and it is so far the only probe of the fine-structure constant in this redshift range. A change in the value of alpha by 1% changes the mean brightness temperature decrement of the CMB due to 21 cm absorption by >5% over the redshift range z < 50. There is an effect of similar magnitude on the amplitude of the fluctuations in the brightness temperature. The redshift of maximum absorption also changes by approximately 5%. PMID:17501040

  3. Electronic structure and spectral properties of RCuSi (R=Nd,Gd) compounds

    NASA Astrophysics Data System (ADS)

    Knyazev, Yu. V.; Lukoyanov, A. V.; Kuz'min, Yu. I.; Gupta, Sachin; Suresh, K. G.

    2016-04-01

    We report a joint experimental and theoretical investigation of optical properties and electronic structure of NdCuSi and GdCuSi compounds. Optical characteristics have been studied employing ellipsometry in a spectral range 0.22-15 μm. Spin-polarized calculations of the electronic structure have been performed using LSDA+U method accounting for electronic correlations in the 4f shell of rare earth elements. Additionally, we probe our electronic structures by calculating the interband optical conductivities and comparing them with spectral measurement. We find that all main features of the experimental curves have been qualitative interpreted using the calculated densities of states.

  4. Maria Goeppert-Mayer Award Talk: Probing the structure and dynamics of biological networks

    NASA Astrophysics Data System (ADS)

    Albert, Reka

    2011-03-01

    The relationship between the structure and dynamics of networks is one of the central topics in network science. In the context of biological regulatory networks at the molecular to cellular level, the dynamics in question is often thought of as information propagation through the network. Quantitative dynamic models help to achieve an understanding of this process, but are difficult to construct and validate because of the scarcity of known mechanistic details and kinetic parameters. Structural and qualitative analysis is emerging as a feasible and useful alternative for interpreting biological signal transduction, and at the same time probing the structure-function relation of these networks. This analysis, however, necessitates the extension of current graph theoretical frameworks to incorporate features such as the positive or negative nature of interactions and synergistic behaviors among multiple components. This talk will present a method for structural analysis in an augmented graph framework that can probe the dynamics of information transfer. The first step is to expand the network to a richer representation that incorporates negative and synergistic regulation by the addition of pseudo-nodes and new edges. Our method simulates both knockout and constitutive activation of components as node disruptions, and takes into account the possible cascading effects of a node's disruption. We introduce the concept of elementary signaling mode (ESM), as the minimal set of nodes that can perform signal transduction independently. As a first application of this method we ranked the importance of signaling components by the effects of their perturbation on the ESMs of the network. Validation on various regulatory networks shows that this method can effectively uncover the essentiality of components mediating a signal transduction process and agrees with dynamic simulation results and experimental observations. Future applications include determining the ESMs that (do

  5. Roles of Atomic Injection Rate and External Magnetic Field on Optical Properties of Elliptical Polarized Probe Light

    NASA Astrophysics Data System (ADS)

    Karimi, R.; Asadpour, S. H.; Batebi, S.; Rahimpour Soleimani, H.

    2016-01-01

    In this paper we investigate the optical properties of an open four-level tripod atomic system driven by an elliptically polarized probe field in the presence of the external magnetic field and compare its properties with the corresponding closed system. Our result reveals that absorption, dispersion and group velocity of probe field can be manipulated by adjusting the phase difference between the two circularly polarized components of a single coherent field, magnetic field and cavity parameters i.e. the atomic exit rate from cavity and atomic injection rates. We show that the system can exhibit multiple electromagnetically induced transparency windows in the presence of the external magnetic field. The numerical result shows that the probe field in the open system can be amplified by appropriate choice of cavity parameters, while in the closed system with introduce appropriate phase difference between fields the probe field can be enhanced. Also it is shown that the group velocity of light pulse can be controlled by external magnetic field, relative phase of applied fields and cavity parameters. By changing the parameters the group velocity of light pulse changes from subluminal to superluminal light propagation and vice versa.

  6. RNA structure analysis using methidiumpropyl-EDTA.Fe(II): a base-pair-specific RNA structure probe.

    PubMed Central

    Vary, C P; Vournakis, J N

    1984-01-01

    Methidiumpropyl-EDTA.Fe(II) [MPE.Fe(II)] in the presence of dithiothreitol, is shown to cleave phenylalanine-accepting tRNA (tRNAPhe) in a structure-specific fashion. Molar ratios of MPE.Fe(II) to tRNAPhe of less than 1 preferentially cleave phosphodiester bonds known to occur in double-stranded regions of the tRNAPhe molecule. Microdensitometric analysis of autoradiograms of MPE.Fe(II) cleavage products following gel electrophoresis reveals a correspondence between preferred sites of MPE.Fe(II) cleavage and sites in tRNAPhe most sensitive to cobra venom ribonuclease, a double-strand-specific endoribonuclease. Conversely, sites of cleavage by the single-strand-specific S1 nuclease correspond to those nucleotides that are least susceptible to MPE.Fe(II) hydrolysis. Sensitive helical regions in tRNAPhe include the dihydrouracil and the "T psi C" stems, which cannot be detected by cobra venom ribonuclease because of steric constraints. Phosphodiester bonds within the T psi C and dihydrouracil loop regions, which are not detected by S1 nuclease under rigorously controlled digestion conditions, are revealed by inference from their relative insensitivity to MPE.Fe(II). These results demonstrate the utility of MPE.Fe(II) as a general small molecular weight probe of RNA structure, having a greater accessibility to base-paired regions than do the more bulky enzymic probes. Images PMID:6209709

  7. Structure-property evolution during polymer crystallization

    NASA Astrophysics Data System (ADS)

    Arora, Deepak

    The main theme of this research is to understand the structure-property evolution during crystallization of a semicrystalline thermoplastic polymer. A combination of techniques including rheology, small angle light scattering, differential scanning calorimetry and optical microscopy are applied to follow the mechanical and optical properties along with crystallinity and the morphology. Isothermal crystallization experiments on isotactic poly-1-butene at early stages of spherulite growth provide quantitative information about nucleation density, volume fraction of spherulites and their crystallinity, and the mechanism of connecting into a sample spanning structure. Optical microscopy near the fluid-to-solid transition suggests that the transition, as determined by time-resolved mechanical spectroscopy, is not caused by packing/jamming of spherulites but by the formation of a percolating network structure. The effect of strain, Weissenberg number (We ) and specific mechanical work (w) on rate of crystallization (nucleation followed by growth) and on growth of anisotropy was studied for shear-induced crystallization of isotactic poly-1-butene. The samples were sheared for a finite strain at the beginning of the experiment and then crystallized without further flow (Janeschitz-Kriegl protocol). Strain requirements to attain steady state/leveling off of the rate of crystallization were found to be much larger than the strain needed to achieve steady state of flow. The large strain and We>1 criteria were also observed for morphological transition from spherulitic growth to oriented growth. An apparatus for small angle light scattering (SALS) and light transmission measurements under shear was built and tested at the University of Massachusetts Amherst. As a new development, the polarization direction can be rotated by a liquid crystal polarization rotator (LCPR) with a short response time of 20 ms. The experiments were controlled and analyzed with a LabVIEW(TM) based

  8. Probing Structure in Cold Gas at z <~ 1 with Gravitationally Lensed Quasar Sightlines

    NASA Astrophysics Data System (ADS)

    Kulkarni, Varsha

    2014-10-01

    Absorption lines in quasar spectra offer a powerful tool to study distant galaxies and intergalactic matter (IGM). The strongest of these absorbers, the damped Lyman-alpha (DLA) and sub-DLA absorbers constitute a large fraction of the neutral gas in galaxies. Galaxies located in front of gravitationally lensed quasars (GLQs) are probed by multiple sightlines; so DLA/sub-DLAs in these sightlines can probe the internal structure of interstellar material (ISM) and/or the environment of these galaxies. From the lens galaxy images, impact parameters of the absorbing regions from the galaxy centers can be obtained accurately. Unfortunately, very little information exists on the neutral gas and metal content of DLA/sub-DLAs located in front of GLQs with confirmed lens galaxies. This is because at low redshift where lens galaxies are well-imaged, the H I and key metal lines lie in the UV. Here we propose to study 6 GLQs with known lens redshifts and a total of 14 closely separated double or quadruple images, that show candidate DLA/sub-DLAs along multiple sightlines. Our goal is to measure H I Lyman-alpha absorption in these sightlines. Many of these absorbers are at the lens redshift, with impact parameters 0.6-5.8 kpc. Our observations will therefore allow us to constrain gradients in H I column density and metallicity (combining H I with ground-based metal line measurements) within these galaxies. Our data will also help to constrain the sizes of DLA/sub-DLA absorbing regions by increasing the existing sample of DLA/sub-DLAs probed at < 10 kpc separations by a factor of ~3. HST is essential because of the need for both UV coverage and high spatial resolution.

  9. Structural formation of huntingtin-like aggregates probed by small-angle neutron scattering

    SciTech Connect

    Stanley, Christopher B; Perevozchikova, Tatiana; Berthelier-Jung, Valerie M

    2011-01-01

    In several neurodegenerative disorders, including Huntington s disease (HD), aspects concerning the earliest of protein structures that form along the aggregation pathway have increasingly gained attention since these particular species are likely to be neurotoxic. We used time-resolved small-angle neutron scattering (SANS) to probe in solution these transient structures formed by peptides having the N-terminal sequence context of mutant huntingtin (Htt) exon 1. We obtained snapshots of the formed aggregates as the kinetic reaction ensued to yield quantitative information on their size and mass. At the early stage, small precursor species with an initial radius of gyration (Rg) of 16.1 5.9 and average mass of a dimer to trimer were monitored. Structural growth was treated as two modes with a transition from three-dimensional early aggregate formation to two-dimensional fibril growth and association. Our SANS results on the internal structure of the mature fibrils demonstrate loose packing with about 1 peptide per 4.75 -sheet repeat distance, which is shown to be quantitatively consistent with a -helix model. This research provides new insights into the structures forming along the pathway of Htt exon 1 aggregation and should assist in determining the role that precursors play in neuronal toxicity.

  10. MUPUS - a thermal and mechanical properties probe for the Rosetta Lander Philae

    NASA Astrophysics Data System (ADS)

    Knollenberg, Jörg; Spohn, Tilman; Seiferlin, Karsten; Hagermann, Axel; Ball, Andrew; Banaszkiewicz, Marek; Grygorczuk, Jerzy; Grott, Matthias; Kargl, Günter; Kuehrt, Ekkehard; Koemle, Norbert; Marczewski, Wojciech

    2014-05-01

    MUPUS, the multi purpose sensor package onboard the Rosetta lander PHILAE, will measure the energy balance and the thermophysical and mechnical parameters in the near-surface layers - up to about 30 cm depth- of the nucleus of Rosetta's target comet Churyumov-Gerasimenko. Moreover it will monitor changes in these parameters over time as the comet approaches the Sun. The data should increase our knowledge of how comets work, and how the coma gases form. The data may also be used to constrain the microstructure of the nucleus material. Changes with time of physical properties will reveal timescales and possibly the nature of processes that modify the material close to the surface. Thereby, the data will indicate how pristine cometary matter sampled and analysed by other experiments on PHILAE really is. The MUPUS package consists of three major parts, the penetrator MUPUS PEN with ist sub-systems, the radiometer MUPUS TM, and the anchor sensors MUPUS ANC. the PEN is equipped with 16 RTD-type sensors along the penetrator tube aimed at measuring the temperature profile. Furthermore, they can also be actively heated in order to be used as a thermal conductivity probe. TM uses 4 thermopile sensors and different filters covering the wavelength range from 6-25 µm to measure the emitted flux from the comets surface. Both anchors are equipped with an accelerometer (ANC-M) and a Pt-100 temperature sensor to determine the hardness profile at the landing site and the thermal diffusivity at the final depth. An update of the status of the instrument after about 10 years in space with emphasis on the results of the latest tests performed during the post-hibernation commissioning will be given. Furthermore, an overview of related modelling efforts as well as supporting laboratory work in preparation of the data analysis will be provided.

  11. Photophysical properties of hydroxyphenyl benzazoles and their applications as fluorescent probes to study local environment in DNA, protein and lipid.

    PubMed

    Sulaiman, Saba A J; Al-Rasbi, Ghalia S; Abou-Zied, Osama K

    2016-05-01

    Fluorescence techniques have drawn increasing attention because they provide crucial information about molecular interactions in protein-ligand systems beyond that obtained by other methods. The advantage of fluorescence spectroscopy stems from the fact that the majority of molecules in biological systems do not exhibit fluorescence, making fluorescent probes useful with high sensitivity. Also, the fluorescence emission is highly sensitive to the local environment, providing a valuable tool to investigate the nature of binding sites in macromolecules. In this review, we discuss some of the important applications of a class of molecules that have been used as fluorescent probes in a variety of studies. Hydroxyphenyl benzazoles (HBXs) show distinct spectroscopic features that make them suitable probes for the study of certain biological mechanisms in DNA, protein and lipid. In particular, the complex photophysics of 2-(2'-hydroxyphenyl)benzoxazole (HBO) and the distinguished fluorescence signatures of its different tautomeric forms make this molecule a useful probe in several applications. Among these are probing the DNA local environment, study of the flexibility and specificity of protein-binding sites, and detecting the heterogeneity and ionization ability of the head groups of different lipidic phases. The spectroscopy of HBX molecules and some of their chemically modified structures is also reviewed. PMID:26910188

  12. The properties of the cool circumgalactic gas probed with the SDSS, WISE, and GALEX surveys

    SciTech Connect

    Lan, Ting-Wen; Ménard, Brice; Zhu, Guangtun

    2014-11-01

    We explore the distribution of cool (∼10{sup 4} K) gas around galaxies and its dependence on galaxy properties. By cross-correlating about 50,000 Mg II absorbers with millions of sources from the SDSS (optical), WISE (IR), and GALEX (UV) surveys we effectively extract about 2000 galaxy-absorber pairs at z ∼ 0.5 and probe relations between absorption strength and galaxy type, impact parameter and azimuthal angle. We find that cool gas traced by Mg II absorbers exists around both star-forming and passive galaxies with a similar incidence rate on scales greater than 100 kpc but each galaxy type exhibits a different behavior on smaller scales: Mg II equivalent width does not correlate with the presence of passive galaxies whereas stronger Mg II absorbers tend to be found in the vicinity of star-forming galaxies. This effect is preferentially seen along the minor axis of these galaxies, suggesting that some of the gas is associated with outflowing material. In contrast, the distribution of cool gas around passive galaxies is consistent with being isotropic on the same scales. We quantify the average excess Mg II equivalent width 〈δW{sub 0}{sup Mg} {sup II}〉 as a function of galaxy properties and find 〈δW{sub 0}{sup Mg} {sup II}〉∝SFR{sup 1.2}, sSFR{sup 0.5}, and M{sub ∗}{sup 0.4} for star-forming galaxies. This work demonstrates that the dichotomy between star-forming and passive galaxies is reflected in the circumgalactic medium traced by low-ionized gas. We also measure the covering fraction of Mg II absorption and find it to be about 2-10 times higher for star-forming galaxies than passive ones within 50 kpc. We estimate the amount of neutral gas in the halo of (log M {sub *}/M {sub ☉}) ∼ 10.8 galaxies to be a few × 10{sup 9} M {sub ☉} for both types of galaxies. Finally, we find that correlations between absorbers and sources detected in the UV and IR lead to physical trends consistent with those measured in the optical.

  13. The elastase-PK101 structure: Mechanism of an ultrasensitive activity-based probe revealed

    SciTech Connect

    Lechtenberg, Bernhard C.; Robinson, Howard R.; Kasperkiewicz, Paulina; Drag, Marcin; Riedl, Stefan J.

    2015-01-22

    Human neutrophil elastase (HNE) plays a central role in neutrophil host defense, but its broad specificity makes HNE a difficult target for both inhibitor and probe development. Recently, we identified the unnatural amino acid containing activity-based probe PK101, which exhibits astounding sensitivity and selectivity for HNE, yet completely lacks mechanistic explanation for its unique characteristics. Here, we present the crystal structure of the HNE-PK101 complex which not only reveals the basis for PK101 ultrasensitivity but also uncovers so far unrecognized HNE features. Strikingly, the Nle(O-Bzl) function in the P4 position of PK101 reveals and leverages an “exo-pocket” on HNE as a critical factor for selectivity. Furthermore, the PK101 P3 position harbors a methionine dioxide function, which mimics a post-translationally oxidized methionine residue and forms a critical hydrogen bond to the backbone amide of Gly219 of HNE. Gly219 resides in a Gly–Gly motif that is unique to HNE, yet compulsory for this interaction. Consequently, this feature enables HNE to accommodate substrates that have undergone methionine oxidation, which constitutes a hallmark post-translational modification of neutrophil signaling.

  14. The elastase-PK101 structure: Mechanism of an ultrasensitive activity-based probe revealed

    DOE PAGESBeta

    Lechtenberg, Bernhard C.; Robinson, Howard R.; Kasperkiewicz, Paulina; Drag, Marcin; Riedl, Stefan J.

    2015-01-22

    Human neutrophil elastase (HNE) plays a central role in neutrophil host defense, but its broad specificity makes HNE a difficult target for both inhibitor and probe development. Recently, we identified the unnatural amino acid containing activity-based probe PK101, which exhibits astounding sensitivity and selectivity for HNE, yet completely lacks mechanistic explanation for its unique characteristics. Here, we present the crystal structure of the HNE-PK101 complex which not only reveals the basis for PK101 ultrasensitivity but also uncovers so far unrecognized HNE features. Strikingly, the Nle(O-Bzl) function in the P4 position of PK101 reveals and leverages an “exo-pocket” on HNE asmore » a critical factor for selectivity. Furthermore, the PK101 P3 position harbors a methionine dioxide function, which mimics a post-translationally oxidized methionine residue and forms a critical hydrogen bond to the backbone amide of Gly219 of HNE. Gly219 resides in a Gly–Gly motif that is unique to HNE, yet compulsory for this interaction. Consequently, this feature enables HNE to accommodate substrates that have undergone methionine oxidation, which constitutes a hallmark post-translational modification of neutrophil signaling.« less

  15. Structure and Properties of Tactic Hydrogenated Polynorbornenes

    NASA Astrophysics Data System (ADS)

    Burns, Adam B.; Register, Richard A.

    Tacticity is one of the most important structural parameters for determining the physical properties of a polymer. A high degree of steroregularity typically promotes crystallization, with different tacticities giving rise to differences in crystal structure, melting point, and degree of crystallinity. In polynorbornene (PN) made by ring-opening metathesis polymerization (ROMP), tacticity is determined by the relative configuration of the nonplanar cyclopentylene rings enchained in the backbone. Traditional ROMP initiators yield atactic polymers (aPN); however, recent advances in catalyst design have produced both isotactic and syndiotactic PN. Newly reported cis,isotactic- and cis,syndiotactic-PNs were catalytically hydrogenated (abbreviated ihPN and shPN, respectively) without altering the tacticity. The thermal and structural characteristics of ihPN and shPN were studied by differential scanning calorimetry (DSC) and wide-angle x-ray scattering (WAXS) and compared to that of ahPN. Remarkably, all three polymers are semicrystalline, each with a distinct crystal structure. ihPN has a nominal melting point of 165 C, more than 20 C above that of ahPN. WAXS patterns of melt-drawn fibers of ihPN show few strong reflections indicative of either a highly symmetric unit cell or poor long-range order. ihPN fibers also exhibit a crystal-crystal transition near 130 C, which is not fully reversible on subsequent cooling. On the other hand, shPN has a nominal melting point some 15 C below that of ahPN, and shPN fibers show no evidence of polymorphism.

  16. Melt Structure and Properties: Progress and Prognoses

    NASA Astrophysics Data System (ADS)

    Stebbins, J. F.

    2004-12-01

    Recent advances in quantitative determinations of silicate glass structure are beginning to place important constraints on models of the physical and chemical properties of melts, but much remains to be done before such models can become entirely based on structure. For example, models of free energy and major component activities generally assume (lacking better constraints) that network species (e.g. Al, Si, "Qn" groups) and network modifiers (e.g. Na, Ca, K, Mg) each mix randomly. However, recent spectroscopic studies demonstrate strong ordering in the network (significant if incomplete Al avoidance; preference of Al for "Q4" groups, etc.) and between modifier cations differing greatly in field strength (e.g. K+, Mg2+). Solution models thus may need substantial revision, unless new studies of temperature effects on such ordering indicate approach to randomness at magmatic temperatures. Such studies are ongoing, facilitated by recent developments in hyper-quenching technology. On the other hand, discovery of such low-T ordering provides a likely (and long-suspected) mechanism for at least some of the configurational entropy in multicomponent melts, which in turn is a critical part of models of viscosity: at least in systems with high Al/Si ratios, for example, increase in Al/Si disorder with increasing T will a major part of this term. In many systems, however, the structural origins of Sconf remain mysterious. For both major and minor components, considerable information now exists to constrain models both of activity and of transport processes, but progress awaits development of useful model forms. Examples include new information on the local coordination of anions such as fluoride and chloride, which again show strong chemical ordering. Similarly, we now know a great deal about the concentration of minor "defect" species, that have been considered to be important to viscosity and diffusion (e.g. AlO5, SiO5, "excess" NBO). However, going from speculative

  17. Structure-property relationships of carbon aerogels

    SciTech Connect

    Pekala, R.W.; Alviso, C.T.; Kong, F.M.

    1993-12-01

    Of the organic reactions in sol-gel polymerizations, the most studied reaction is the aqueous polycondensation of resorcinol with formaldehyde; the resulting crosslinked gels are supercritically dried from CO{sub 2} to give resorcinol-formaldehyde (RF) aerogels. These aerogels can be pyrolyzed to form vitreous carbon monoliths with black color, high porosity, ultrafine cell/pore size, high surface area, and interconnected particles of the organic precursor. The structure and properties of the carbon aerogels depend on R/C (resorcinol/catalyst) ratio of starting solution, pyrolysis temperature, and chemical activation. Each variable is discussed. Carbon aerogels provide an almost ideal electrode material (in double-layer capacitors) owing to low electrical resistivity (<40 mohm-cm), controllable pore size distribution (5--500 {angstrom}), and high volumetric surface areas ({approximately}500 m{sup 2}/cm{sup 3}).

  18. Structure Property Studies for Additively Manufactured Parts

    SciTech Connect

    Milenski, Helen M; Schmalzer, Andrew Michael; Kelly, Daniel

    2015-08-17

    Since the invention of modern Additive Manufacturing (AM) processes engineers and designers have worked hard to capitalize on the unique building capabilities that AM allows. By being able to customize the interior fill of parts it is now possible to design components with a controlled density and customized internal structure. The creation of new polymers and polymer composites allow for even greater control over the mechanical properties of AM parts. One of the key reasons to explore AM, is to bring about a new paradigm in part design, where materials can be strategically optimized in a way that conventional subtractive methods cannot achieve. The two processes investigated in my research were the Fused Deposition Modeling (FDM) process and the Direct Ink Write (DIW) process. The objectives of the research were to determine the impact of in-fill density and morphology on the mechanical properties of FDM parts, and to determine if DIW printed samples could be produced where the filament diameter was varied while the overall density remained constant.

  19. Structural properties of spatially embedded networks

    NASA Astrophysics Data System (ADS)

    Kosmidis, K.; Havlin, S.; Bunde, A.

    2008-05-01

    We study the effects of spatial constraints on the structural properties of networks embedded in one- or two-dimensional space. When nodes are embedded in space, they have a well-defined Euclidean distance r between any pair. We assume that nodes at distance r have a link with probability p(r)~r-δ. We study the mean topological distance l and the clustering coefficient C of these networks and find that they both exhibit phase transitions for some critical value of the control parameter δ depending on the dimensionality d of the embedding space. We have identified three regimes. When δ2d the networks are "large" worlds l~N1/d with high clustering. Our results indicate that spatial constrains have a significant impact on the network properties, a fact that should be taken into account when modeling complex networks.

  20. Titanium local structure in tektite probed by X-ray absorption fine structure spectroscopy.

    PubMed

    Wang, Ling; Yoshiasa, Akira; Okube, Maki; Takeda, Takashi

    2011-11-01

    The local structure of titanium in tektites from six strewn fields was studied by Ti K-edge X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) in order to provide quantitative data on Ti-O distance and Ti coordination number. The titanium in tektites possessed different coordination environment types. XANES spectra patterns revealed resemblance to high-temperature TiO(2)-SiO(2) glass and TiO(2) anatase. All samples showed that the valence of Ti is 4+. Based on the Ti-O distances, coordination numbers and radial distribution function determined by EXAFS analyses, the tektites were classified into three types: type I, Ti occupies a four-coordinated tetrahedral site with Ti-O distances of 1.84-1.79 Å; type II, Ti occupies a five-coordinated trigonal bipyramidal or tetragonal pyramidal site with Ti-O distances of 1.92-1.89 Å; type III, Ti occupies a six-coordinated octahedral site with Ti-O distances of 2.00-1.96 Å. Although Ti occupies the TiO(6) octahedral site in most titanium minerals under ambient conditions, some tektites have four- and five-coordinated Ti. This study indicated that the local structure of Ti might change in impact events and the following stages. PMID:21997913

  1. Probing Retroviral and Retrotransposon Genome Structures: The “SHAPE” of Things to Come

    PubMed Central

    Sztuba-Solinska, Joanna; Le Grice, Stuart F. J.

    2012-01-01

    Understanding the nuances of RNA structure as they pertain to biological function remains a formidable challenge for retrovirus research and development of RNA-based therapeutics, an area of particular importance with respect to combating HIV infection. Although a variety of chemical and enzymatic RNA probing techniques have been successfully employed for more than 30 years, they primarily interrogate small (100–500 nt) RNAs that have been removed from their biological context, potentially eliminating long-range tertiary interactions (such as kissing loops and pseudoknots) that may play a critical regulatory role. Selective 2′ hydroxyl acylation analyzed by primer extension (SHAPE), pioneered recently by Merino and colleagues, represents a facile, user-friendly technology capable of interrogating RNA structure with a single reagent and, combined with automated capillary electrophoresis, can analyze an entire 10,000-nucleotide RNA genome in a matter of weeks. Despite these obvious advantages, SHAPE essentially provides a nucleotide “connectivity map,” conversion of which into a 3-D structure requires a variety of complementary approaches. This paper summarizes contributions from SHAPE towards our understanding of the structure of retroviral genomes, modifications to which technology that have been developed to address some of its limitations, and future challenges. PMID:22685659

  2. Effects of skeleton structure on necrosis targeting and clearance properties of radioiodinated dianthrones.

    PubMed

    Zhang, Dongjian; Jiang, Cuihua; Yang, Shengwei; Gao, Meng; Huang, Dejian; Wang, Xiaoning; Shao, Haibo; Feng, Yuanbo; Sun, Ziping; Ni, Yicheng; Zhang, Jian; Yin, Zhiqi

    2016-07-01

    Necrosis avid agents (NAAs) can be used for diagnose of necrosis-related diseases, evaluation of therapeutic responses and targeted therapeutics of tumor. In order to probe into the effects of molecular skeleton structure on necrosis targeting and clearance properties of radioiodinated dianthrones, four dianthrone compounds with the same substituents but different skeletal structures, namely Hypericin (Hyp), protohypericin (ProHyp), emodin dianthrone mesomer (ED-1) and emodin dianthrone raceme (ED-2) were synthesized and radioiodinated. Then radioiodinated dianthrones were evaluated in vitro for their necrosis avidity in A549 lung cancer cells untreated and treated with H2O2. Their biodistribution and pharmacokinetic properties were determined in rat models of induced necrosis. In vitro cell assay revealed that destruction of rigid skeleton structure dramatically reduced their necrosis targeting ability. Animal studies demonstrated that destruction of rigid skeleton structure dramatically reduced the necrotic tissue uptake and speed up the clearance from the most normal tissues for the studied compounds. Among these (131)I-dianthrones, (131)I-Hyp exhibited the highest uptake and persistent retention in necrotic tissues. Hepatic infarction could be clearly visualized by SPECT/CT using (131)I-Hyp as an imaging probe. The results suggest that the skeleton structure of Hyp is the lead structure for further structure optimization of this class of NAAs. PMID:26586010

  3. Investigation of electrical, optical and structural properties of sputtered indium tin oxide thin film

    NASA Astrophysics Data System (ADS)

    Hasan, Md. Tanvir; Bhalla, Amar; Guo, Ruyan

    2015-09-01

    Transparent and conductive Indium Tin Oxide (ITO) films were grown on borosilicate glass substrate by radio frequency (RF) magnetron sputtering process. The effects of sputtering parameters e.g. substrate temperature and RF power levels on electrical, optical and structural properties were examined. The crystallinity, conductivity and optical transparency of the films were evaluated by X-ray diffraction, four-point probe measurement, laser ellipsometry, and optical spectroscopy. The surface roughness and grain size of the films were also investigated using scanning probe microscopy. This paper reports the non-monotonical dependence of substrate temperature on the nanostructure and phases and the complex impact of RF power levels to the conductivities and the optical properties. The critical role of oxygen partial pressure on the energy bandgaps is also inferred.

  4. Probing structural variation and multifunctionality in niobium doped bismuth vanadate materials.

    PubMed

    Saithathul Fathimah, Sameera; Prabhakar Rao, Padala; James, Vineetha; Raj, Athira K V; Chitradevi, G R; Leela, Sandhyakumari

    2014-11-14

    Multifunctional materials are developed in BiV1-xNbxO4 solid solutions via structural variations. A citrate gel route has been employed to synthesize these materials followed by calcination at various temperatures leading to fine particles. The effects of niobium doping over the structural variation and its influence on the optical properties are assessed by powder X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and UV-Vis-NIR spectroscopy. These solid solutions exhibit superior coloristic properties which are comparable to commercially available yellow pigments. These materials also show remarkable reflectance in the NIR region which makes them potential candidates for cool roof applications. A notable methylene blue dye degradation property is observed in Nb(5+) doped BiVO4 under sunlight irradiation. PMID:25223954

  5. High-pressure structural properties of tetramethylsilane

    NASA Astrophysics Data System (ADS)

    Zhen-Xing, Qin; Xiao-Jia, Chen

    2016-02-01

    High-pressure structural properties of tetramethylsilane are investigated by synchrotron powder x-ray diffraction at pressures up to 31.1 GPa and room temperature. A phase with the space group of Pnma is found to appear at 4.2 GPa. Upon compression, the compound transforms to two following phases: the phase with space groups of P21/c at 9.9 GPa and the phase with P2/m at 18.2 GPa successively via a transitional phase. The unique structural character of P21/c supports the phase stability of tetramethylsilane without possible decomposition upon heavy compression. The appearance of the P2/m phase suggests the possible realization of metallization for this material at higher pressure. Project supported by the Cultivation Fund of the Key Scientific and Technical Innovation Project from Ministry of Education of China (Grant No. 708070), the Fundamental Research Funds for the Central Universities, South China University of Technology (Grant No. 2014ZZ0069), the National Natural Science Foundation of China (Grant No. 51502189), and the Doctoral Project of Taiyuan University of Science and Technology, China (Grant No. 20132010).

  6. Modeling and Measurements by Hall probes of Magnetic Structures of Undulators HU256

    SciTech Connect

    Batrakov, A.; Churkin, I.; Ilyin, I.; Steshov, A.; Vobly, P.; Briquez, F.; Chubar, O.; Dael, A.; Roux, G.; Valleau, M.

    2007-01-19

    The magnetic calculations of the individual dipoles and dipoles in 'undulator environment' were executed by means of Mermaid 3D Code and these results were confirmed by magnetic measurements of the individual dipoles and the assembled undulators. The magnetic parameters of all dipoles were estimated on basis of the mechanical measurement of the dipole characteristics (pole gap, yoke width, coil position) and the main dependences obtained from magnetic calculations and measurements. These parameters were used for optimal placing of the dipoles in undulators (sorting). The special Hall probe system was designed and manufactured for magnetic measurements of the undulators. It allowed us to observe the inner structure of the magnetic fields. At a magnetic field measurement accuracy of {+-} 15 {mu}T the accuracy of the 1st integral calculated on the basis of the measured magnetic fields is {approx} 50 {mu}Tm. All three undulators were magnetically measured at BINP and are being re-measured at Soleil after transportation.

  7. Modeling and Measurements by Hall probes of Magnetic Structures of Undulators HU256

    NASA Astrophysics Data System (ADS)

    Batrakov, A.; Briquez, F.; Chubar, O.; Dael, A.; Churkin, I.; Ilyin, I.; Roux, G.; Steshov, A.; Valleau, M.; Vobly, P.

    2007-01-01

    The magnetic calculations of the individual dipoles and dipoles in "undulator environment" were executed by means of Mermaid 3D Code and these results were confirmed by magnetic measurements of the individual dipoles and the assembled undulators. The magnetic parameters of all dipoles were estimated on basis of the mechanical measurement of the dipole characteristics (pole gap, yoke width, coil position) and the main dependences obtained from magnetic calculations and measurements. These parameters were used for optimal placing of the dipoles in undulators (sorting). The special Hall probe system was designed and manufactured for magnetic measurements of the undulators. It allowed us to observe the inner structure of the magnetic fields. At a magnetic field measurement accuracy of ± 15 μT the accuracy of the 1st integral calculated on the basis of the measured magnetic fields is ˜ 50 μTm. All three undulators were magnetically measured at BINP and are being re-measured at Soleil after transportation.

  8. Optimization of a low noise detection circuit for probing the structure of damage cascades with IBIC

    SciTech Connect

    Auden, Elizabeth C.; Doyle, Barney L.; Bielejec, Edward; Vizkelethy, Gyorgy; Wampler, William R.

    2015-06-18

    Optimal detector / pre-amplifier combinations have been identified for the use of light ion IBIC (ion beam induced charge) to probe the physical structure of electrically active defects in damage cascades caused by heavy ion implantation. The ideal detector must have a sufficiently thin dead layer that incident ions will produce the majority of damage cascades in the depletion region of the detector rather than the dead layer. Detector and circuit noise must be low enough to detect the implantation of a single heavy ion as well as the decrease in the light ion IBIC signal caused by Shockley-Read-Hall recombination when the beam scans regions of the detector damaged by the heavy ion. The IBIC signals from three detectors irradiated with 750 keV He⁺ ions are measured with commercial and bespoke charge sensitive pre-amplifiers to identify the combination with the lowest noise.

  9. Optimization of a low noise detection circuit for probing the structure of damage cascades with IBIC

    DOE PAGESBeta

    Auden, Elizabeth C.; Doyle, Barney L.; Bielejec, Edward; Vizkelethy, Gyorgy; Wampler, William R.

    2015-06-18

    Optimal detector / pre-amplifier combinations have been identified for the use of light ion IBIC (ion beam induced charge) to probe the physical structure of electrically active defects in damage cascades caused by heavy ion implantation. The ideal detector must have a sufficiently thin dead layer that incident ions will produce the majority of damage cascades in the depletion region of the detector rather than the dead layer. Detector and circuit noise must be low enough to detect the implantation of a single heavy ion as well as the decrease in the light ion IBIC signal caused by Shockley-Read-Hall recombinationmore » when the beam scans regions of the detector damaged by the heavy ion. The IBIC signals from three detectors irradiated with 750 keV He⁺ ions are measured with commercial and bespoke charge sensitive pre-amplifiers to identify the combination with the lowest noise.« less

  10. Potential structure of discharge plasma inside liquid directly measured by an electrostatic probe

    SciTech Connect

    Chen, Qiang; Hatakeyama, Rikizo; Kaneko, Toshiro

    2013-06-17

    Potential structures of a discharge plasma inside a liquid are investigated by an electrostatic probe measurement. The time evolution of radial profiles of the floating potential for the plasma inside liquid reveals that the dominant negative charges in the plasma are the negative ion species such as OH{sup -} and O{sub 2}{sup -} rather than electrons. In addition, a positive potential gradient exists at the plasma-liquid interface due to the presence of an electrical double layer which is caused by the separation of low-mass positive ion of H{sup +} and high-mass negative ions of OH{sup -} and O{sub 2}{sup -} near the plasma-liquid interface.

  11. Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement

    PubMed Central

    2014-01-01

    The DOT1L lysine methyltransferase has emerged as a validated therapeutic target in MLL-rearranged (MLLr) acute leukemias. Although S-adenosylmethionine competitive inhibitors have demonstrated pharmacological proof-of-principle in MLLr-leukemia, these compounds require further optimization to improve cellular potency and pharmacokinetic stability. Limiting DOT1L inhibitor discovery and ligand optimization have been complex biochemical methods often using radionucleotides and cellular methods requiring prolonged culture. We therefore developed a new suite of assay technologies that allows comparative assessment of chemical tools for DOT1L in a miniaturized format. Coupling these assays with structural information, we developed new insights into DOT1L ligand binding and identified several functionalized probes with increased cellular potency (IC50 values ∼10 nM) and excellent selectivity for DOT1L. Together these assay technologies define a platform capability for discovery and optimization of small-molecule DOT1L inhibitors. PMID:25397901

  12. Optimization of a Low Noise Detection Circuit for Probing the Structure of Damage Cascades with IBIC

    NASA Astrophysics Data System (ADS)

    Auden, Elizabeth C.; Doyle, Barney L.; Bielejec, Edward; Vizkelethy, Gyorgy; Wampler, William R.

    Optimal detector / pre-amplifier combinations have been identified for the use of light ion IBIC (ion beam induced charge) to probe the physical structure of electrically active defects in damage cascades caused by heavy ion implantation. The ideal detector must have a sufficiently thin dead layer that incident ions will produce the majority of damage cascades in the depletion region of the detector rather than the dead layer. Detector and circuit noise must be low enough to detect the implantation of a single heavy ion as well as the decrease in the light ion IBIC signal caused by Shockley-Read-Hall recombination when the beam scans regions of the detector damaged by the heavy ion. The IBIC signals from three detectors irradiated with 750 keV He+ ions are measured with commercial and bespoke charge sensitive pre-amplifiers to identify the combination with the lowest noise.

  13. Structure-guided DOT1L probe optimization by label-free ligand displacement.

    PubMed

    Yi, Joanna S; Federation, Alexander J; Qi, Jun; Dhe-Paganon, Sirano; Hadler, Michael; Xu, Xiang; St Pierre, Roodolph; Varca, Anthony C; Wu, Lei; Marineau, Jason J; Smith, William B; Souza, Amanda; Chory, Emma J; Armstrong, Scott A; Bradner, James E

    2015-03-20

    The DOT1L lysine methyltransferase has emerged as a validated therapeutic target in MLL-rearranged (MLLr) acute leukemias. Although S-adenosylmethionine competitive inhibitors have demonstrated pharmacological proof-of-principle in MLLr-leukemia, these compounds require further optimization to improve cellular potency and pharmacokinetic stability. Limiting DOT1L inhibitor discovery and ligand optimization have been complex biochemical methods often using radionucleotides and cellular methods requiring prolonged culture. We therefore developed a new suite of assay technologies that allows comparative assessment of chemical tools for DOT1L in a miniaturized format. Coupling these assays with structural information, we developed new insights into DOT1L ligand binding and identified several functionalized probes with increased cellular potency (IC50 values ∼10 nM) and excellent selectivity for DOT1L. Together these assay technologies define a platform capability for discovery and optimization of small-molecule DOT1L inhibitors. PMID:25397901

  14. Probing the electrochemical properties of biopolymer modified EMD nanoflakes through electrodeposition for high performance alkaline batteries.

    PubMed

    Biswal, Avijit; Minakshi, Manickam; Tripathy, Bankim Chandra

    2016-04-01

    In the present work, a novel biopolymer approach has been made to electrodeposit manganese dioxide from manganese sulphate in a sulphuric acid bath containing chitosan in the absence and presence of glutaraldehyde as a cross-linking agent. Galvanostatically synthesised electrolytic manganese dioxide (EMD) nanoflakes were used as electrode materials and their electrochemical properties with the influence of biopolymer chitosan were systematically characterized. The structural determination, surface morphology and porosity of nanostructured EMD were evaluated using X-ray diffraction, Fourier transform infrared spectroscopy, field emission scanning electron microscopy and nitrogen adsorption-desorption techniques. The results obtained were compared with that of blank EMD (polymer free). The results indicated that the EMD having chitosan cross-linked with glutaraldehyde possesses a reduced particle size and more porous structure than the blank and EMDs synthesized in the presence of chitosan but without glutaraldehyde. The results revealed that chitosan was unable to play any significant role on its own but chitosan in the presence of glutaraldehyde forms a cross-linking structure, which in turn influences the nucleation and growth of the EMDs during electrodeposition. EMDs obtained in the presence of chitosan (1 g dm(-3)) and glutaraldehyde (1% glutaraldehyde) exhibited a reversible and better discharge capacity upon cycling than the blank which showed its typical capacity fading behaviour with cycling. In addition, EMD synthesized in the presence of 1 g dm(-3) chitosan and 2% glutaraldehyde exhibited a superior electrochemical performance than the blank and lower amounts (1%; 1.5%) of glutaraldehyde, showing a stable discharge capacity of 60 mA h g(-1) recorded up to 40 cycles in alkaline KOH electrolyte for a Zn-MnO2 system. Our results demonstrate the potential of using polymer modified EMDs as a new generation of alkaline battery materials. The XPS data show that

  15. An integrated fiber-optic probe combined with support vector regression for fast estimation of optical properties of turbid media.

    PubMed

    Zhou, Yang; Fu, Xiaping; Ying, Yibin; Fang, Zhenhuan

    2015-06-23

    A fiber-optic probe system was developed to estimate the optical properties of turbid media based on spatially resolved diffuse reflectance. Because of the limitations in numerical calculation of radiative transfer equation (RTE), diffusion approximation (DA) and Monte Carlo simulations (MC), support vector regression (SVR) was introduced to model the relationship between diffuse reflectance values and optical properties. The SVR models of four collection fibers were trained by phantoms in calibration set with a wide range of optical properties which represented products of different applications, then the optical properties of phantoms in prediction set were predicted after an optimal searching on SVR models. The results indicated that the SVR model was capable of describing the relationship with little deviation in forward validation. The correlation coefficient (R) of reduced scattering coefficient μ'(s) and absorption coefficient μ(a) in the prediction set were 0.9907 and 0.9980, respectively. The root mean square errors of prediction (RMSEP) of μ'(s) and μ(a) in inverse validation were 0.411 cm(-1) and 0.338 cm(-1), respectively. The results indicated that the integrated fiber-optic probe system combined with SVR model were suitable for fast and accurate estimation of optical properties of turbid media based on spatially resolved diffuse reflectance. PMID:26092344

  16. PROBING FINE-SCALE IONOSPHERIC STRUCTURE WITH THE VERY LARGE ARRAY RADIO TELESCOPE

    SciTech Connect

    Cohen, A. S.; Roettgering, H. J. A.

    2009-08-15

    High-resolution ({approx}1 arcmin) astronomical imaging at low frequency ({<=}150 MHz) has only recently become practical with the development of new calibration algorithms for removing ionospheric distortions. In addition to opening a new window in observational astronomy, the process of calibrating the ionospheric distortions also probes ionospheric structure in an unprecedented way. Here we explore one aspect of this new type of ionospheric measurement: the differential refraction of celestial source pairs as a function of their angular separation. This measurement probes variations in the spatial gradient of the line-of-sight total electron content (TEC) to {approx}10{sup -3} TECU km{sup -1} (1 TECU = 10{sup 12} cm{sup -2}) accuracy over spatial scales of under 10 km to over 100 km. We use data from the VLA Low-frequency Sky Survey (VLSS), a nearly complete 74 MHz survey of the entire sky visible to the VLA telescope in Socorro, New Mexico. These data comprise over 500 hr of observations, all calibrated in a standard way. While ionospheric spatial structure varies greatly from one observation to the next, when analyzed over hundreds of hours, statistical patterns become apparent. We present a detailed characterization of how the median differential refraction depends on source pair separation, elevation, and time of day. We find that elevation effects are large, but geometrically predictable and can be 'removed' analytically using a 'thin-shell' model of the ionosphere. We find significantly greater ionospheric spatial variations during the day than at night. These diurnal variations appear to affect the larger angular scales to a greater degree indicating that they come from disturbances on relatively larger spatial scales (hundreds of kilometers, rather than tens of kilometers)

  17. Melt Structure and Properties: a Spectroscopic Perspective

    NASA Astrophysics Data System (ADS)

    Stebbins, J.

    2006-12-01

    Entropy, volume, and their P/T derivatives are at the heart of models of the thermodynamics of silicate melts and magmas. Quantitative characterization of glass structure is leading to important new insights into the links from "Microscopic to Macroscopic" that can at least guide interpretations of data and in some cases even have predictive power. A few recent examples will be discussed here. The often-large configurational components to heat capacities, thermal expansivities, and compressibilities of melts strongly indicate that structural changes with temperature and pressure are of key importance. At least some aspects of thermal increases in configurational (as opposed to vibrational) disorder are amenable to spectroscopic detection, either with in situ methods or on glasses with varying quench rates and thus varying fictive temperatures. In some systems, such changes are now clear, and can be shown to make significant contributions to properties. These include network cation coordination in systems such as borate liquids (BO4 to BO3 at higher T), and Al-Si disordering in aluminosilicates. In general, however, progress in this rich problem has only begun. It has long been suspected from thermodynamic analyses (and theoretical simulations) that configurational changes in melts play a key role in volume compression at high pressure, over and above that which can be expressed in "normal" equations of state or from those expected from bond compression and bending. Scattering and spectroscopic studies have revealed some of the important aspects of pressure-induced structural changes, but again we are just at the beginning of full understanding. For example, binary silicate glasses quenched from high-P melts clearly record some systematic increases in Si coordination, while aluminosilicates record systematic pressure and compositional (modifier cation field strength) effects on Al coordination in recovered samples with large, quenched-in density increases

  18. How does a probe inserted into the discharge influence the plasma structure?

    NASA Astrophysics Data System (ADS)

    Yordanov, D.; Lishev, St.; Shivarova, A.

    2016-05-01

    Shielding the bias applied to the probe by the sheath formed around it and determination of parameters of unperturbed plasmas are in the basis of the probe diagnostics. The results from a two-dimensional model of a discharge with a probe inserted in it show that the probe influences the spatial distribution of the plasma parameters in the entire discharge. The increase (although slight) in the electron temperature, due to the increased losses of charged particles on the additional wall in the discharge (mainly the probe holder), leads to redistribution of the plasma density and plasma potential, as shown by the results obtained at the floating potential of the probe. The deviations due to the bias applied to the probe tip are stronger in the ion saturation region of the probe characteristics. The pattern of the spatial redistribution of the plasma parameters advances together with the movement of the probe deeper in the discharge. Although probe sheaths and probe characteristics resulting from the model are shown, the study does not aim at discussions on the theories for determination of the plasma density from the ion saturation current. Regardless of the modifications in the plasma behavior in the entire discharge, the deviations of the plasma parameters at the position of the probe tip and, respectively, the uncertainty which should be added as an error when the accuracy of the probe diagnostics is estimated do not exceed 10%. Consequently, the electron density and temperature obtained, respectively, at the position of the plasma potential on the probe characteristics and from its transition region are in reasonable agreement with the results from the model of the discharge without a probe. Being in the scope of research on a source of negative hydrogen ions with the design of a matrix of small radius inductive discharges, the model is specified for a low-pressure hydrogen discharge sustained in a small-radius tube.

  19. Probing Quark-Gluon Structure of Matter with e-p and e-A Reactions

    SciTech Connect

    Jian-Ping Chen

    2011-11-01

    Understanding the strong interaction (QCD) in the truly strong ('non-perturbative') region remains a major challenge in modern physics. Nucleon and nuclei provide natural laboratories to study the strong interaction. The quark-gluon structure of the nucleon and nuclei are important by themselves since they are the main (>99%) part of the visible world. With electroweak interaction well-understood, e-p and e-A are clean means to probe the nucleon and nuclear structure and to study the strong interaction (QCD). Inclusive Deep-Inelastic Scattering (DIS) experiments have provided us with the most extensive information on the unpolarized and longitudinally-polarized parton (quark and gluon) distributions (PDFs). It has becoming clear that transverse spin and transverse structure (both transverse spatial structure via generalized parton distributions (GPDs) and transverse momentum structure via transverse- momentum-dependent distributions (TMDs)) study are crucial for a more complete understanding of the nucleon structure and the dynamics of the strong interaction(QCD). The transverse spin, GPDs and TMDs have been the subjects of increasingly intense theoretical and experimental study recently. With 12 GeV energy upgrade, Jefferson Lab (JLab) will provide the most precise multi-dimensional map of the TMDs and GPDs in the valence quark region through Semi-Inclusive DIS (SIDIS) and Deep-Exclusive experiments, providing a 3-d partonic picture of the nucleon in momentum and spatial spaces. The precision information on TMDs and GPDs will provide access to the quark orbital angular momentum and its correlation with the quark and the nucleon spins. The planned future Electron-Ion Collider (EIC) will enable a precision study of the TMDs and GPDs of the sea quarks and gluons, in addition to completing the study in the valence region. The EIC will also open a new window to study the role of gluons in nuclei.

  20. Structural properties, phase stability, elastic properties and electronic structures of Cu-Ti intermetallics

    NASA Astrophysics Data System (ADS)

    Chen, Shuai; Duan, Yong-Hua; Huang, Bo; Hu, Wen-Cheng

    2015-11-01

    The structural properties, phase stabilities, anisotropic elastic properties and electronic structures of Cu-Ti intermetallics have been systematically investigated using first principles based on the density functional theory. The calculated equilibrium structural parameters agree well with available experimental data. The ground-state convex hull of formation enthalpies as a function of Cu content is slightly symmetrical at CuTi with a minimal formation enthalpy (-13.861 kJ/mol of atoms), which indicates that CuTi is the most stable phase. The mechanical properties, including elastic constants, polycrystalline moduli and anisotropic indexes, were evaluated. G/B is more pertinent to hardness than to the shear modulus G due to the high power indexes of 1.137 for G/B. The mechanical anisotropy was also characterized by describing the three-dimensional (3D) surface constructions. The order of elastic anisotropy is Cu4Ti3 > Cu3Ti2 > α-Cu4Ti > Cu2Ti > CuTi > β-Cu4Ti > CuTi2. Finally, the electronic structures were discussed and Cu2Ti is a semiconductor.

  1. Improved prediction of RNA secondary structure by integrating the free energy model with restraints derived from experimental probing data

    PubMed Central

    Wu, Yang; Shi, Binbin; Ding, Xinqiang; Liu, Tong; Hu, Xihao; Yip, Kevin Y.; Yang, Zheng Rong; Mathews, David H.; Lu, Zhi John

    2015-01-01

    Recently, several experimental techniques have emerged for probing RNA structures based on high-throughput sequencing. However, most secondary structure prediction tools that incorporate probing data are designed and optimized for particular types of experiments. For example, RNAstructure-Fold is optimized for SHAPE data, while SeqFold is optimized for PARS data. Here, we report a new RNA secondary structure prediction method, restrained MaxExpect (RME), which can incorporate multiple types of experimental probing data and is based on a free energy model and an MEA (maximizing expected accuracy) algorithm. We first demonstrated that RME substantially improved secondary structure prediction with perfect restraints (base pair information of known structures). Next, we collected structure-probing data from diverse experiments (e.g. SHAPE, PARS and DMS-seq) and transformed them into a unified set of pairing probabilities with a posterior probabilistic model. By using the probability scores as restraints in RME, we compared its secondary structure prediction performance with two other well-known tools, RNAstructure-Fold (based on a free energy minimization algorithm) and SeqFold (based on a sampling algorithm). For SHAPE data, RME and RNAstructure-Fold performed better than SeqFold, because they markedly altered the energy model with the experimental restraints. For high-throughput data (e.g. PARS and DMS-seq) with lower probing efficiency, the secondary structure prediction performances of the tested tools were comparable, with performance improvements for only a portion of the tested RNAs. However, when the effects of tertiary structure and protein interactions were removed, RME showed the highest prediction accuracy in the DMS-accessible regions by incorporating in vivo DMS-seq data. PMID:26170232

  2. Local structure of Titanium in natural glasses probed by X-ray absorption fine structure

    NASA Astrophysics Data System (ADS)

    Wang, L.; Yoshiasa, A.; Okube, M.; Nakatani, T.; Hayasaka, Y.; Isobe, H.

    2013-04-01

    Synchrotron radiation has been used to collect titanium K-edge absorption spectra of a suite of natural glasses (tektites, impact glasses, fault rocks and volcanic glasses). XANES and XAFS analysis provided the qualitative and quantitative information of Ti oxidation state, Ti-O distance and site geometry. Tektites possess four-, five-, six-coordinated Ti, whereas fault rock-pseudotachylite, volcanic glasses and impact glass only presented five- and six-coordinated Ti. This study indicated that different petrogenesis of natural glasses has different local structures of titanium.

  3. Probing Novel Properties of Nucleons and Nuclei via Parity Violating Electron Scattering

    SciTech Connect

    Mercado, Luis

    2012-05-01

    This thesis reports on two experiments conducted by the HAPPEx (Hall A Proton Parity Experiment) collaboration at the Thomas Jefferson National Accelerator Facility. For both, the weak neutral current interaction (WNC, mediated by the Z0 boson) is used to probe novel properties of hadronic targets. The WNC interaction amplitude is extracted by measuring the parity-violating asymmetry in the elastic scattering of longitudinally polarized electrons o unpolarized target hadrons. HAPPEx-III, conducted in the Fall of 2009, used a liquid hydrogen target at a momentum transfer of Q2 = 0.62 GeV2. The measured asymmetry was used to set new constraints on the contribution of strange quark form factors (GsE,M ) to the nucleon electromagnetic form factors. A value of APV = -23.803±} 0.778 (stat)± 0.359 (syst) ppm resulted in GsE + 0.517GsM = 0.003± 0.010 (stat)± 0.004 (syst)± 0.009 (FF). PREx, conducted in the Spring of 2010, used a polarized electron beam on a 208Pb target at a momentum transfer of Q2 = 0.009 GeV2. This parity-violating asymmetry can be used to obtain a clean measurement of the root-mean-square radius of the neutrons in the 208Pb nucleus. The Z0 boson couples mainly to neutrons; the neutron weak charge is much larger than that of the proton. The value of this asymmetry is at the sub-ppm level and has a projected experimental fractional precision of 3%. We will describe the accelerator setup used to set controls on helicity-correlated beam asymmetries and the analysis methods for finding the raw asymmetry for HAPPEx-III. We will also discuss in some detail the preparations to meet the experimental challenges associated with measuring such a small asymmetry with the degree of precision required for PREx.

  4. Probing the electronic properties of atomically thin graphitic layers with optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Mak, Kin Fai

    Since its discovery, graphene (a mono-layer of graphitic layer) has attracted tremendous attention from the physics community. Being one-atom thick, Single Layer Graphene (SLG) is an ideal model for fundamental studies of 2-Dimensional (2D) systems. One of the most interesting aspects of SLG is the resemblance of its electronic structure to an important class of particles in high energy physics, the Dirac massless Fermions, i.e., massless Fermions with 4 flavors. Such an electronic structure leads to many peculiar phenomena in fundamental physics and many desirable properties for technological applications of this new material. Therefore, a basic understanding of the electronic properties of SLG is of the greatest importance in this field. In this thesis, the electronic structure of single- and few-layer graphene is investigated with optical spectroscopic techniques. In the first part, the optical absorption spectrum of SLG is measured. In the mid/near infrared range, the absorbance is a universal constant equal to pialpha = 2.29%, a being the fine structure constant, independent of photon energies, the particular sample characteristics and all parameters describing the band structure of SLG. This reflects a fundamental fact that the charge carriers in SLG indeed behave as 2D Dirac massless Fermions at low energies. Since each Fermionic species absorbs by pialpha/4, the 4 spin-nodal flavors of Fermions in SLG gives an absorbance of pialpha. On the other hand, strong modifications of optical absorption in the visible/UV range due to many body interactions are observed. Such effects give rise to a breakdown of the universal absorbance and experimental signatures of saddle point excitons. In the second part, the electronic structure of Bi-Layer Graphene (BLG) is studied in the presence of strong applied electric fields. In contrast to SLG, the low-energy electrons in BLG are described as chiral massive Fermions. The linearly dispersing bands in SLG are replaced by

  5. Probing tertiary structure of proteins using single Trp mutations with circular dichroism at low temperature.

    PubMed

    Gasymov, Oktay K; Abduragimov, Adil R; Glasgow, Ben J

    2014-01-30

    Trp is the most spectroscopically informative aromatic amino acid of proteins. However, the near-UV circular dichroism (CD) spectrum of Trp is complicated because the intensity and sign of (1)La and (1)Lb bands vary independently. To resolve vibronic structure and gain site-specific information from complex spectra, deconvolution was combined with cooling and site-directed tryptophan substitution. Low temperature near-UV CD was used to probe the local tertiary structure of a loop and α-helix in tear lipocalin. Upon cooling, the enhancement of the intensities of the near-UV CD was not uniform, but depends on the position of Trp in the protein structure. The most enhanced (1)Lb band was observed for Trp at position 124 in the α-helix segment matching the known increased conformational mobility during ligand binding. Some aspects of the CD spectra of W28 and W130 were successfully linked to specific rotamers of Trp previously obtained from fluorescence lifetime measurements. The discussion was based on a framework that the magnitude of the energy differences in local conformations governs the changes in the CD intensities at low temperature. The Trp CD spectral classification of Strickland was modified to facilitate the recognition of pseudo peaks. Near-UV CD spectra harbor abundant information about the conformation of proteins that site directed Trp CD can report. PMID:24404774

  6. Probing Tertiary Structure of Proteins Using Single Trp Mutations with Circular Dichroism at Low Temperature

    PubMed Central

    2015-01-01

    Trp is the most spectroscopically informative aromatic amino acid of proteins. However, the near-UV circular dichroism (CD) spectrum of Trp is complicated because the intensity and sign of 1La and 1Lb bands vary independently. To resolve vibronic structure and gain site-specific information from complex spectra, deconvolution was combined with cooling and site-directed tryptophan substitution. Low temperature near-UV CD was used to probe the local tertiary structure of a loop and α-helix in tear lipocalin. Upon cooling, the enhancement of the intensities of the near-UV CD was not uniform, but depends on the position of Trp in the protein structure. The most enhanced 1Lb band was observed for Trp at position 124 in the α-helix segment matching the known increased conformational mobility during ligand binding. Some aspects of the CD spectra of W28 and W130 were successfully linked to specific rotamers of Trp previously obtained from fluorescence lifetime measurements. The discussion was based on a framework that the magnitude of the energy differences in local conformations governs the changes in the CD intensities at low temperature. The Trp CD spectral classification of Strickland was modified to facilitate the recognition of pseudo peaks. Near-UV CD spectra harbor abundant information about the conformation of proteins that site directed Trp CD can report. PMID:24404774

  7. Non-interacting molecules as innate structural probes in surface plasmon resonance.

    PubMed

    Schoch, Rafael L; Lim, Roderick Y H

    2013-03-26

    Determining the structural parameters of a molecular layer remains an unresolved problem in surface plasmon resonance (SPR). Given that molecular form and function are intimately coupled, a breakthrough in this area could be of considerable benefit to the study of protein and/or polymer-decorated material interfaces that are ubiquitous in biology and technology. Here, we describe how noninteracting molecules function as innate structural probes that "feel" the intrinsic exclusion volume of a surface-tethered molecular layer in SPR. Importantly, this is noninvasive and provides a means to bypass the refractive index (RI) constraint that convolutes and hinders SPR thickness measurements. To show proof-of-concept, we use BSA molecules in solution to measure the thicknesses of polyethylene glycol (PEG) molecular brushes as a function of molecular weight. The SPR-acquired brush thicknesses scale with PEG hydrodynamic diameter and are in good agreement with atomic force microscopy force-distance measurements. Theoretical treatments that account for changes in the evanescent field decay length at the metal-dielectric interface indicate that the method is most appropriate for low RI layers with an estimated maximal error of ±15% in the thickness due to the RI constraint. Such in situ thickness measurements can be easily incorporated into routine SPR binding assays for investigating mesoscopic structure-function correlations of diverse molecular layers (i.e., biointerfaces). PMID:23437874

  8. Mod-seq: A High-Throughput Method for Probing RNA Secondary Structure.

    PubMed

    Lin, Yizhu; May, Gemma E; Joel McManus, C

    2015-01-01

    It has become increasingly clear that large RNA molecules, especially long noncoding RNAs, function in almost all gene regulatory processes (Cech & Steitz, 2014). Many large RNAs appear to be structural scaffolds for assembly of important RNA/protein complexes. However, the structures of most large cellular RNA molecules are currently unknown (Hennelly & Sanbonmatsu, 2012). While chemical probing can reveal single-stranded regions of RNA, traditional approaches to identify sites of chemical modification are time consuming. Mod-seq is a high-throughput method used to map chemical modification sites on RNAs of any size, including complex mixtures of RNA. In this protocol, we describe preparation of Mod-seq high-throughput sequencing libraries from chemically modified RNA. We also describe a software package "Mod-seeker," which is a compilation of scripts written in Python, for the analysis of Mod-seq data. Mod-seeker returns statistically significant modification sites, which can then be used to aid in secondary structure prediction. PMID:26068740

  9. Probing models of Dirac neutrino masses via the flavor structure of the mass matrix

    NASA Astrophysics Data System (ADS)

    Kanemura, Shinya; Sakurai, Kodai; Sugiyama, Hiroaki

    2016-07-01

    We classify models of the Dirac neutrino mass by concentrating on flavor structures of the mass matrix. The advantage of our classification is that we do not need to specify detail of models except for Yukawa interactions because flavor structures can be given only by products of Yukawa matrices. All possible Yukawa interactions between leptons (including the right-handed neutrino) are taken into account by introducing appropriate scalar fields. We also take into account the case of Yukawa interactions of leptons with the dark matter candidate. Then, we see that flavor structures can be classified into seven groups. The result is useful for the efficient test of models of the neutrino mass. One of seven groups can be tested by measuring the absolute neutrino mass. Other two can be tested by probing the violation of the lepton universality in ℓ →ℓ‧ ν ν ‾. In order to test the other four groups, we can rely on searches for new scalar particles at collider experiments.

  10. Alkyl CH Stretch Vibrations as a Probe of Local Environment and Structure

    NASA Astrophysics Data System (ADS)

    Sibert, Edwin; Tabor, Daniel P.; Kidwell, Nathanael; Dean, Jacob C.; Zwier, Timothy S.

    2015-06-01

    The CH stretch region is a good candidate as a probe of structure and local environment. The functional groups are ubiquitous and their vibration spectra exhibit a surprising sensitivity to molecular structure. In this talk we briefly review our theoretical model Hamiltonian [J. Chem. Phys. 138 064308 (2013)] for describing vibrational spectra associated with the CH stretch of CH_2 groups and then describe an extension of it to molecules containing methyl and methoxy groups. Results are compared to the infrared spectroscopy of four molecules studied under supersonic expansion cooling in gas phase conditions. The molecules include 1,1-diphenylethane, 1,1-diphenylpropane, 2-methoxyphenol (guaiacol), and 1,3-dimethoxy-2-hydroxybenzene (syringol). The curvilinear local-mode Hamiltonian predicts most of the major spectral features considered in this study and provides insights into mode mixing. We conclude by returning to CH_2 groups and explain both why the CH stretch spectrum of cyclohexane is substantially modified when it forms a complex with an alkali metal and what these spectra tell us about the structure of the complex.

  11. Synthesis, Structure, Properties, and Bioimaging of a Fluorescent Nitrogen-Linked Bisbenzothiadiazole.

    PubMed

    Mota, Alberto A R; Corrêa, José R; Carvalho, Pedro H P R; de Sousa, Núbia M P; de Oliveira, Heibbe C B; Gatto, Claudia C; da Silva Filho, Demétrio A; de Oliveira, Aline L; Neto, Brenno A D

    2016-04-01

    This paper describes the synthesis, structure, photophysical properties, and bioimaging application of a novel 2,1,3-benzothiadiazole (BTD)-based rationally designed fluorophore. The capability of undergoing efficient stabilizing processes from the excited state allowed the novel BTD derivative to be used as a stable probe for bioimaging applications. No notable photobleaching effect or degradation could be observed during the experimental time period. Before the synthesis, the molecular architecture of the novel BTD derivative was evaluated by means of DFT calculations to validate the chosen design. Single-crystal X-ray analysis revealed the nearly flat characteristics of the structure in a syn conformation. The fluorophore was successfully tested as a live-cell-imaging probe and efficiently stained MCF-7 breast cancer cell lineages. PMID:26930300

  12. Miniature probe for mechanical properties of vascular lesions using acoustic radiation force optical coherence elastography (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Qu, Yueqiao; Ma, Teng; He, Youmin; Yu, Mingyue; Li, Rui; Zhu, Jiang; Dai, Cuixia; Piao, Zhonglie; Shung, K. Kirk; Zhou, Qifa; Chen, Zhongping

    2016-03-01

    Changes in tissue biomechanical properties often signify the onset and progression of diseases, such as in determining the vulnerability of atherosclerotic plaques. Acoustic radiation force optical coherence elastography (ARF-OCE) has been used in the detection of tissue elasticity to obtain high-resolution elasticity maps. We have developed a probe-based ARF-OCE technology that utilizes a miniature 10 MHz ring ultrasonic transducer for excitation and Doppler optical coherence tomography (OCT) for detection. The transducer has a small hole in the center for the OCT light to propagate through. This allows for a confocal stress field and light detection within a small region for high sensitivity and localized excitation. This device is a front-facing probe that is only 3.5 mm in diameter and it is the smallest ARF-OCE catheter to the best of our knowledge. We have tested the feasibility of the probe by measuring the point displacement of an agarose tissue-mimicking phantom using different ARF excitation voltages. Small displacement values ranging from 30 nm to 90 nm have been detected and are shown to be directly proportional to the excitation voltage as expected. We are currently working on obtaining 2D images using a scanning mechanism. We will be testing to capture 2D elastograms of phantoms to further verify feasibility, and eventually characterize the mechanical properties of cardiovascular tissue. With its high portability and sensitivity, this novel technology can be applied to the diagnosis and characterization of vulnerable atherosclerotic plaques.

  13. A near-infrared multifunctional fluorescent probe with an inherent tumor-targeting property for bioimaging.

    PubMed

    Zhao, Xu; Li, Yang; Jin, Di; Xing, Yuzhi; Yan, Xilong; Chen, Ligong

    2015-07-25

    A mitochondria-targeting probe, by conjugating a quaternary ammonium cation with glucosamine modified pH-activated cyanine, was designed and synthesized. This probe has excellent selectivity and sensitivity toward pH, stability, cellular membrane permeability and low cytotoxicity. Owing to the acidic feature of tumors and the more negative mitochondrial membrane potential of tumor cells than that of normal cells, this probe can selectively accumulate in tumor cells and light up its fluorescence. It has been successfully applied for in vivo tumor imaging with a high signal-to-noise ratio. Moreover, this multifunctional switchable sensor was also employed for the fluorescent imaging of the fluctuation of intracellular pH in HeLa cells. PMID:26104217

  14. Probing the structural dynamics of the SNARE recycling machine based on coarse-grained modeling.

    PubMed

    Zheng, Wenjun

    2016-08-01

    Membrane fusion in eukaryotes is driven by the formation of a four-helix bundle by three SNARE proteins. To recycle the SNARE proteins, they must be disassembled by the ATPase NSF and four SNAP proteins which together form a 20S supercomplex. Recently, the first high-resolution structures of the NSF (in both ATP and ADP state) and 20S (in four distinct states termed I, II, IIIa, and IIIb) were solved by cryo-electron microscopy (cryo-EM), which have paved the way for structure-driven studies of the SNARE recycling mechanism. To probe the structural dynamics of SNARE disassembly at amino-acid level of details, a systematic coarse-grained modeling based on an elastic network model and related analyses were performed. Our normal mode analysis of NSF, SNARE, and 20S predicted key modes of collective motions that partially account for the observed structural changes, and illuminated how the SNARE complex can be effectively destabilized by untwisting and bending motions of the SNARE complex driven by the amino-terminal domains of NSF in state II. Our flexibility analysis identified regions with high/low flexibility that coincide with key functional sites (such as the NSF-SNAPs-SNARE binding sites). A subset of hotspot residues that control the above collective motions, which will make promising targets for future mutagenesis studies were also identified. Finally, the conformational changes in 20S as induced by the transition of NSF from ATP to ADP state were modeled, and a concerted untwisting motion of SNARE/SNAPs and a sideway flip of two amino-terminal domains were observed. In sum, the findings have offered new structural and dynamic details relevant to the SNARE disassembly mechanism, and will guide future functional studies of the SNARE recycling machinery. Proteins 2016; 84:1055-1066. © 2016 Wiley Periodicals, Inc. PMID:27090373

  15. Nuclear resonance scattering of synchrotron radiation as a unique electronic, structural and thermodynamic probe

    SciTech Connect

    Alp, E. Ercan; Sturhahn, Wolfgang; Toellner, Thomas S.; Zhao, Jiyong; Leu, Bogdan M.

    2012-05-09

    (SMS). However, to place these two techniques into some perspective with respect to other methods that yield related information, they display their version of a frequently used map of momentum and energy transfer diagram in figure 17.1. Here, various probes like electrons, neutrons, or light, i.e., Brillouin or Raman, and relatively newer forms of X-ray scattering are placed according to their range of energy and momentum transfer taking place during the measurements. Accordingly, NRIXS is a method that needs to be considered as a complementary probe to inelastic neutron and X-ray scattering, while SMS occupies a unique space due to its sensitivity to magnetism, structural deformations, valence, and spin states.

  16. Probing The Structure North China To Better Understand Its Evolution, Natural Resources, And Seismic Hazards (Invited)

    NASA Astrophysics Data System (ADS)

    Keller, G. R.; Gao, R.; Qu, G.; Li, Q.; Liu, M.

    2010-12-01

    Recently, North China has been the target of a vast array of geoscience investigations that have advanced our understanding of the region. One major effort that has targeted the area is SinoProbe, which is China's ambitious national joint earth science research project that was established to develop a comprehensive understanding of the deep interior beneath the Chinese continent via a broad range of investigations that include deep drilling and geological and geophysical studies along continental-scale transects. As one of the eight major programs within SinoProbe, SinoProbe-02 (Seismic Observations) initiated a large-scale controlled-source seismic experiment in North China under the leadership of the Chinese Academy of Geological Sciences (CAGS) of the Ministry of Land and Resources (MLR) in cooperation with the University of Oklahoma and University of Missouri-Columbia in the U. S. This experiment was conducted in December of 2009 and consisted of three coordinated seismic recording activities along a profile that extended for over 400km from near Beijing northwestward to the Mongolian border. Near Beijing, the profile began near the eastern edge of the Western Block of the North China Precambrian craton, crossed this feature to the Solonker suture zone, and ended in the Central Asian orogenic belt (CAOB). The CAOB is one of the world's most prominent sites of the formation juvenile Phanerozoic crust. In January of 2010, a different effort led by the Chinese Earthquake administration was undertaken in cooperation with the same US universities. This effort targeted the Tangshan area where a devastating earthquake killed at least 250,000 people in 1976. In this seismic experiment, an innovative 3-D survey was undertaken across a 40km x 40km region centered on the city of Tangshan by deploying Texan instruments along a web of profiles with shotpoints at their intersections. This experiment targeted the middle and upper crust. A deep seismic reflection profile was

  17. Spectroscopic and nonlinear optical properties of new chalcone fluorescent probes for bioimaging applications: a theoretical and experimental study.

    PubMed

    Krawczyk, Przemysław; Pietrzak, Marek; Janek, Tomasz; Jędrzejewska, Beata; Cysewski, Piotr

    2016-06-01

    In this study, the newly synthesized non-centrosymmetric, 4-dimethylamino-3'-isothiocyanatochalcone (PKA) compound was presented. This compound belongs to the chalcone group, and its main purpose is to be used in biomedical imaging as a fluorescence dye. For this reason, the linear and nonlinear properties in solvents of different polarity were thoroughly studied. In accordance with the requirements for a fluorochrome, the PKA compound is characterized by strong absorption, large Stokes' shifts, relatively high fluorescence quantum yields and high nonlinear optical response. Moreover, the isothiocyanate reactive probe was conjugated with Concanavalin A. Conventional fluorescence microscopy imaging of Candida albicans cells incubated with the PKA-Concanavalin A, is presented. The results of this study show that the novel conjugate PKA-Concanavalin A could be a promising new probe for cellular labelling in biological and biomedical research. Graphical abstract Spectroscopic behavior of the PKA dye. PMID:27168200

  18. Structure dependent elastic properties of supergraphene

    NASA Astrophysics Data System (ADS)

    Hou, Juan; Yin, Zhengnan; Zhang, Yingyan; Chang, Tien-Chong

    2016-04-01

    Complete replacement of aromatic carbon bonds in graphene by carbyne chains gives rise to supergraphene whose mechanical properties are expected to depend on its structure. However, this dependence is to date unclear. In this paper, explicit expressions for the in-plane stiffness and Poisson's ratio of supergraphene are obtained using a molecular mechanics model. The theoretical results show that the in-plane stiffness of supergraphene is drastically (at least one order) smaller than that of graphene, whereas its Poisson's ratio is higher than 0.5. As the index number increases (i.e., the length of carbyne chains increases and the bond density decreases), the in-plane stiffness of supergraphene decreases while the Poisson's ratio increases. By analyzing the relation among the layer modulus, in-plane stiffness and Poisson's ratio, it is revealed that the mechanism of the faster decrease in the in-plane stiffness than the bond density is due to the increase of Poisson's ratio. These findings are useful for future applications of supergraphene in nanomechanical systems.

  19. Crystalline mesophases: Structure, mobility, and pharmaceutical properties.

    PubMed

    Shalaev, Evgenyi; Wu, Ke; Shamblin, Sheri; Krzyzaniak, Joseph F; Descamps, Marc

    2016-05-01

    Crystalline mesophases, which are commonly classified according to their translational, orientational, and conformational order as liquid crystals, plastic crystals, and conformationally disordered crystals, represent a common state of condensed matter. As an intermediate state between crystalline and amorphous materials, crystalline mesophases resemble amorphous materials in relation to their molecular mobility, with the glass transition being their common property, and at the same time possessing a certain degree of translational periodicity (with the exception of nematic phase), with corresponding narrow peaks in X-ray diffraction patterns. For example, plastic crystals, which can be formed both by near-spherical molecules and molecules of lower symmetry, such as planar or chain molecules, can have both extremely sharp X-ray diffraction lines and exhibit glass transition. Fundamentals of structural arrangements in mesophases are compared with several types of disorder in crystalline materials, as well as with short-range ordering in amorphous solids. Main features of the molecular mobility in crystalline mesophases are found to be generally similar to amorphous materials, although some important differences do exist, depending on a particular type of mobility modes involved in relaxation processes. In several case studies reviewed, chemical stability appears to follow the extent of disorder, with the stability of crystalline mesophase found to be intermediate between amorphous (least stable) and crystalline (most stable) materials. Finally, detection of crystalline mesophases during manufacturing of two different types of dosage forms is discussed. PMID:27067607

  20. Record breaking properties for typical autocorrelation structures

    NASA Astrophysics Data System (ADS)

    Anagnostopoulou, Eirini; Galani, Andriani; Dimas, Panagiotis; Karanasios, Alexandros; Mastrotheodoros, Theodoros; Michaelidi, Eleni-Maria; Nikolopoulos, Dionisios; Pontikos, Stamatis; Sourla, Fani; Chazapi, Anna; Papalexiou, Simon Michael; Koutsoyiannis, Demetris

    2013-04-01

    Record-breaking occurrences in hydrometeorological processes are often used particularly in communicating information to the public and their analysis offers the possibility of better comprehending extreme events. However, the typical comprehension depends on prototypes characterized by pure randomness. In fact the occurrence of record breaking depends on the marginal distribution and the autocorrelation function of the process as well the length of available record. Here we study the influence of the process autocorrelation structure on the statistics of record-breaking occurrences giving emphasis on the differences with those of a purely random process. The particular stochastic processes, which we examine, are the AR(1), AR(2) and ARMA(1,1), as well as the Hurst-Kolmogorov process. The necessary properties are calculated using either analytical methods when possible or Monte Carlo simulation. We also compare the model results with observed hydrometeorological time series. Acknowledgement: This research is conducted within the frame of the undergraduate course "Stochastic Methods in Water Resources" of the National Technical University of Athens (NTUA). The School of Civil Engineering of NTUA provided moral support for the participation of the students in the Assembly.

  1. Radiolytic Modification and Reactivity of Amino Acid Residues Serving as Structural Probes for Protein Footprinting

    SciTech Connect

    Xu,G.; Chance, M.

    2005-01-01

    Hydroxyl radical-mediated protein footprinting is a convenient and sensitive technique for mapping solvent-accessible surfaces of proteins and examining the structure and dynamics of biological assemblies. In this study, the reactivities and tendencies to form easily detectible products for all 20 (common) amino acid side chains along with cystine are directly compared using various standards. Although we have previously reported on the oxidation of many of these residues, this study includes a detailed examination of the less reactive residues and better defines their usefulness in hydroxyl radical-mediated footprinting experiments. All 20 amino amides along with cystine and a few tripeptides were irradiated by -rays, the products were analyzed by electrospray mass spectrometry, and rate constants of modification were measured. The reactivities of amino acid side chains were compared based on their loss of mass spectral signal normalized to the rate of loss for Phe or Pro that were radiolyzed simultaneously to serve as internal standards. In this way, accurate quantitation of relative rates could be assured. A reactivity order of amino acid side chains was obtained as Cys > Met > Trp > Tyr > Phe > cystine > His > Leu, Ile > Arg, Lys, Val > Ser, Thr, Pro > Gln, Glu > Asp, Asn > Ala > Gly. Ala and Gly are far too unreactive to be useful probes in typical experiments and Asp and Asn are unlikely to be useful as well. Although Ser and Thr are more reactive than Pro, which is known to be a useful probe, their oxidation products are not easily detectible. Thus, it appears that 14 of the 20 side chains (plus cystine) are most likely to be useful in typical experiments. Since these residues comprise 65% of the sequence of a typical protein, the footprinting approach provides excellent coverage of the side-chain reactivity for proteins.

  2. Atmospheric structure and cloud properties on Venus

    NASA Astrophysics Data System (ADS)

    Zasova, L. V.

    We discuss the structure of the Venus atmosphere from the surface to 100 km and properties of the clouds. The solar energy deposited on Venus is the same as that on the Earth. However, because of the greenhouse effect in the thick atmosphere the surface temperature is of 735K. Thermal structure of troposphere (below 58-60 km) is characterized by the temperature rate of 7.7K/km, and small negative equator-pole temperature gradient. Two connective zones are observed in the troposphere: in the middle clouds (50-56 km) and below 30 km. Middle atmosphere above 60 km (mesosphere) is stable. In the upper clouds (58-68 km) 50 % of the solar energy is absorbed by `unknown UV absorber'. This leads to generation of the thermal tides, which influence the thermal structure of the mesosphere. Dissipation of the tides may produce energy to support the superrotation - dynamic state of the Venus atmosphere. Local time variation of temperature of the mesosphere, upper boundary of the clouds and zonal wind is defined by the tides. Strongest thermal tides are observed in the cold collar near 100 mb level. Temperature of the atmosphere decreases from equator to pole below 70 km and increases above the clouds, in a way that the polar region is of 20 K warmer than low latitudes. Air masses, which ascend in equatorial region move to the polar region above the clouds against the temperature gradient and descend in the near polar region. The main component of the clouds from 48 to 70 km is sulfuric acid at all latitudes, which is produced by photochemistry from the SO2 and H2O. Being conservative scattering, the clouds allow investigation on the night side of the atmosphere below the clouds and the surface in the windows between the CO2 bands. The altitude of the upper boundary of the clouds decreases from equator to high latitudes and it has the lowest position at polar region in the hot dipole (below 60 km). The haze of submicron particles, which may be found from 30 to 90 km, is strongly

  3. Imaging deep skeletal muscle structure using a high-sensitivity ultrathin side-viewing optical coherence tomography needle probe

    PubMed Central

    Yang, Xiaojie; Lorenser, Dirk; McLaughlin, Robert A.; Kirk, Rodney W.; Edmond, Matthew; Simpson, M. Cather; Grounds, Miranda D.; Sampson, David D.

    2013-01-01

    We have developed an extremely miniaturized optical coherence tomography (OCT) needle probe (outer diameter 310 µm) with high sensitivity (108 dB) to enable minimally invasive imaging of cellular structure deep within skeletal muscle. Three-dimensional volumetric images were acquired from ex vivo mouse tissue, examining both healthy and pathological dystrophic muscle. Individual myofibers were visualized as striations in the images. Degradation of cellular structure in necrotic regions was seen as a loss of these striations. Tendon and connective tissue were also visualized. The observed structures were validated against co-registered hematoxylin and eosin (H&E) histology sections. These images of internal cellular structure of skeletal muscle acquired with an OCT needle probe demonstrate the potential of this technique to visualize structure at the microscopic level deep in biological tissue in situ. PMID:24466482

  4. Quantitatively probing propensity for structural transitions in engineered virus nanoparticles by single-molecule mechanical analysis

    NASA Astrophysics Data System (ADS)

    Castellanos, Milagros; Carrillo, Pablo J. P.; Mateu, Mauricio G.

    2015-03-01

    Viruses are increasingly being studied from the perspective of fundamental physics at the nanoscale as biologically evolved nanodevices with many technological applications. In viral particles of the minute virus of mice (MVM), folded segments of the single-stranded DNA genome are bound to the capsid inner wall and act as molecular buttresses that increase locally the mechanical stiffness of the particle. We have explored whether a quantitative linkage exists in MVM particles between their DNA-mediated stiffening and impairment of a heat-induced, virus-inactivating structural change. A series of structurally modified virus particles with disrupted capsid-DNA interactions and/or distorted capsid cavities close to the DNA-binding sites were engineered and characterized, both in classic kinetics assays and by single-molecule mechanical analysis using atomic force microscopy. The rate constant of the virus inactivation reaction was found to decrease exponentially with the increase in elastic constant (stiffness) of the regions closer to DNA-binding sites. The application of transition state theory suggests that the height of the free energy barrier of the virus-inactivating structural transition increases linearly with local mechanical stiffness. From a virological perspective, the results indicate that infectious MVM particles may have acquired the biological advantage of increased survival under thermal stress by evolving architectural elements that rigidify the particle and impair non-productive structural changes. From a nanotechnological perspective, this study provides proof of principle that determination of mechanical stiffness and its manipulation by protein engineering may be applied for quantitatively probing and tuning the conformational dynamics of virus-based and other protein-based nanoassemblies.Viruses are increasingly being studied from the perspective of fundamental physics at the nanoscale as biologically evolved nanodevices with many technological

  5. Interacting Thin Film Systems Probed by Electron Induced Extended Fine Structure

    NASA Astrophysics Data System (ADS)

    Idzerda, Yves Ulrich

    In order to obtain information on the structure and dynamics of various systems including interacting thin films, it is necessary to be able to measure local structure information with surface sensitivity. Three techniques of Electron Induced Extended Fine Structure (EIEFS), the electron analog of Extended X-ray Absorption Fine Structure (EXAFS), are described, compared, and applied to thin film systems. Surface Extended Electron Loss Fine Structure (SEELFS), Extended Appearence Potential Fine Structure (EAPFS) and Auger-Monitored Extended Fine Structure (AMEFS), are all local structure probes with varying degrees of surface sensitivity, and all yield similar information. Our results show that each technique can be measured by commercially available electron optics, SEELFS and AMEFS by either a cylindrical mirror analyzer (CMA) or by low energy electron diffraction (LEED) optics and EAPFS by the LEED optics. We have addressed questions concerning proper phase shifts for the analysis, short data ranges, required use of undifferentiated data, and experimental difficulties. Investigations of carbon, oxygen, sodium, potassium, cesium, and sulfur on Cu(111) and titanium on silicon demonstrate that SEELFS is applicable to single monolayer coverages of very low Z adsorbates and thin films. Many of the theoretical difficulties surrounding the analysis of SEELFS can be circumvented by the use of standards and the ratio technique analysis developed for EXAFS. We also find in our studies of silicon, titanium, and aluminum oxide that systems with plasmon losses in the region of interest cannot be analyzed, but systems with other characteristic losses which are very sharp or very broad can be. Examination of EAPFS shows that it is more surface sensitive and is applicable to single monolayer coverages (of a broader range of elements than SEELFS) and thin films. Unfortunately, EAPFS is not applicable to single crystal systems with low electron binding energies where diffraction

  6. A Study of the Structure of the Source Region of the Solar Wind in Support of a Solar Probe Mission

    NASA Technical Reports Server (NTRS)

    Habbal, Shadia R.; Forman, M. A. (Technical Monitor)

    2001-01-01

    Despite the richness of the information about the physical properties and the structure of the solar wind provided by the Ulysses and SOHO (Solar and Heliospheric Observatory) observations, fundamental questions regarding the nature of the coronal heating mechanisms, their source, and the manifestations of the fast and slow solar wind, still remain unanswered. The last unexplored frontier to establish the connection between the structure and dynamics of the solar atmosphere, its extension into interplanetary space, and the mechanisms responsible for the evolution of the solar wind, is the corona between 1 and 30 R(sub s). A Solar Probe mission offers an unprecedented opportunity to explore this frontier. Its uniqueness stems from its trajectory in a plane perpendicular to the ecliptic which reaches within 9 R(sub s) of the solar surface over the poles and 3 - 9 R(sub s) at the equator. With a complement of simultaneous in situ and remote sensing observations, this mission is destined to detect remnants and signatures of the processes which heat the corona and accelerate the solar wind. In support of this mission, we fulfilled the following two long-term projects: (1) Study of the evolution of waves and turbulence in the solar wind (2) Exploration of signatures of physical processes and structures in the corona. A summary of the tasks achieved in support of these projects are given below. In addition, funds were provided to support the Solar Wind 9 International Conference which was held in October 1998. A brief report on the conference is also described in what follows.

  7. VLBI FOR GRAVITY PROBE B. VII. THE EVOLUTION OF THE RADIO STRUCTURE OF IM PEGASI

    SciTech Connect

    Bietenholz, M. F.; Bartel, N.; Ransom, R. R.; Lebach, D. E.; Ratner, M. I.; Shapiro, I. I.

    2012-07-01

    We present measurements of the total radio flux density as well as very long baseline interferometry images of the star, IM Pegasi, which was used as the guide star for the NASA/Stanford relativity mission Gravity Probe B. We obtained flux densities and images from 35 sessions of observations at 8.4 GHz ({lambda} = 3.6 cm) between 1997 January and 2005 July. The observations were accurately phase-referenced to several extragalactic reference sources, and we present the images in a star-centered frame, aligned by the position of the star as derived from our fits to its orbital motion, parallax, and proper motion. Both the flux density and the morphology of IM Peg are variable. For most sessions, the emission region has a single-peaked structure, but 25% of the time, we observed a two-peaked (and on one occasion perhaps a three-peaked) structure. On average, the emission region is elongated by 1.4 {+-} 0.4 mas (FWHM), with the average direction of elongation being close to that of the sky projection of the orbit normal. The average length of the emission region is approximately equal to the diameter of the primary star. No significant correlation with the orbital phase is found for either the flux density or the direction of elongation, and no preference for any particular longitude on the star is shown by the emission region.

  8. Subpacket structures in EMIC rising tone emissions observed by the THEMIS probes

    NASA Astrophysics Data System (ADS)

    Nakamura, Satoko; Omura, Yoshiharu; Shoji, Masafumi; Nosé, Masahito; Summers, Danny; Angelopoulos, Vassilis

    2015-09-01

    We report subpacket structures found in electromagnetic ion cyclotron (EMIC) rising tone emissions observed by the Time History of Events and Macroscale Interactions during Substorms (THEMIS) probes. We investigate three typical cases in detail. The first case shows a continuous single rising tone with four obvious subpackets, and the second case is characterized by a patchy emission with multiple subpackets triggered in a broadband frequency. The third case looks like a smooth rising tone without any obvious subpacket in the fast Fourier transform spectrum, while its amplitude contains small peaks with increasing frequencies. The degree of polarization of each subpacket is generally higher than 0.8 with a left-handed polarization, and the wave direction of the subpackets is typically field aligned. We show that the time evolution of the observed frequency and amplitude can be reproduced consistently by nonlinear growth theory. We also compare the observed time span of each subpacket structure with the theoretical trapping time for second-order cyclotron resonance. They are consistent, indicating that an individual subpacket is generated through a nonlinear wave growth process which excites an element in accordance with the theoretically predicted optimum amplitude.

  9. Communication: The electronic structure of matter probed with a single femtosecond hard x-ray pulse.

    PubMed

    Szlachetko, J; Milne, C J; Hoszowska, J; Dousse, J-Cl; Błachucki, W; Sà, J; Kayser, Y; Messerschmidt, M; Abela, R; Boutet, S; David, C; Williams, G; Pajek, M; Patterson, B D; Smolentsev, G; van Bokhoven, J A; Nachtegaal, M

    2014-03-01

    Physical, biological, and chemical transformations are initiated by changes in the electronic configuration of the species involved. These electronic changes occur on the timescales of attoseconds (10(-18) s) to femtoseconds (10(-15) s) and drive all subsequent electronic reorganization as the system moves to a new equilibrium or quasi-equilibrium state. The ability to detect the dynamics of these electronic changes is crucial for understanding the potential energy surfaces upon which chemical and biological reactions take place. Here, we report on the determination of the electronic structure of matter using a single self-seeded femtosecond x-ray pulse from the Linac Coherent Light Source hard x-ray free electron laser. By measuring the high energy resolution off-resonant spectrum (HEROS), we were able to obtain information about the electronic density of states with a single femtosecond x-ray pulse. We show that the unoccupied electronic states of the scattering atom may be determined on a shot-to-shot basis and that the measured spectral shape is independent of the large intensity fluctuations of the incoming x-ray beam. Moreover, we demonstrate the chemical sensitivity and single-shot capability and limitations of HEROS, which enables the technique to track the electronic structural dynamics in matter on femtosecond time scales, making it an ideal probe technique for time-resolved X-ray experiments. PMID:26798772

  10. "Trunk-like" heavy ion structures observed by the Van Allen Probes

    NASA Astrophysics Data System (ADS)

    Zhang, J.-C.; Kistler, L. M.; Spence, H. E.; Wolf, R. A.; Reeves, G.; Skoug, R.; Funsten, H.; Larsen, B. A.; Niehof, J. T.; MacDonald, E. A.; Friedel, R.; Ferradas, C. P.; Luo, H.

    2015-10-01

    Dynamic ion spectral features in the inner magnetosphere are the observational signatures of ion acceleration, transport, and loss in the global magnetosphere. We report "trunk-like" ion structures observed by the Van Allen Probes on 2 November 2012. This new type of ion structure looks like an elephant's trunk on an energy-time spectrogram, with the energy of the peak flux decreasing Earthward. The trunks are present in He+ and O+ ions but not in H+. During the event, ion energies in the He+ trunk, located at L = 3.6-2.6, magnetic local time (MLT) = 9.1-10.5, and magnetic latitude (MLAT) = -2.4-0.09°, vary monotonically from 3.5 to 0.04 keV. The values at the two end points of the O+ trunk are energy = 4.5-0.7 keV, L = 3.6-2.5, MLT = 9.1-10.7, and MLAT = -2.4-0.4°. Results from backward ion drift path tracings indicate that the trunks are likely due to (1) a gap in the nightside ion source or (2) greatly enhanced impulsive electric fields associated with elevated geomagnetic activity. Different ion loss lifetimes cause the trunks to differ among ion species.

  11. Polarized light scattering as a probe for changes in chromosome structure

    SciTech Connect

    Shapiro, D.B.

    1993-10-01

    Measurements and calculations of polarized light scattering are applied to chromosomes. Calculations of the Mueller matrix, which completely describes how the polarization state of light is altered upon scattering, are developed for helical structures related to that of chromosomes. Measurements of the Mueller matrix are presented for octopus sperm heads, and dinoflagellates. Comparisons of theory and experiment are made. A working theory of polarized light scattering from helices is developed. The use of the first Born approximation vs the coupled dipole approximation are investigated. A comparison of continuous, calculated in this work, and discrete models is also discussed. By comparing light scattering measurements with theoretical predictions the average orientation of DNA in an octopus sperm head is determined. Calculations are made for the Mueller matrix of DNA plectonemic helices at UV, visible and X-ray wavelengths. Finally evidence is presented that the chromosomes of dinoflagellates are responsible for observed differential scattering of circularly-polarized light. This differential scattering is found to vary in a manner that is possibly correlated to the cell cycle of the dinoflagellates. It is concluded that by properly choosing the wavelength probe polarized light scattering can provide a useful tool to study chromosome structure.

  12. Communication: The electronic structure of matter probed with a single femtosecond hard x-ray pulse

    PubMed Central

    Szlachetko, J.; Milne, C. J.; Hoszowska, J.; Dousse, J.-Cl.; Błachucki, W.; Sà, J.; Kayser, Y.; Messerschmidt, M.; Abela, R.; Boutet, S.; David, C.; Williams, G.; Pajek, M.; Patterson, B. D.; Smolentsev, G.; van Bokhoven, J. A.; Nachtegaal, M.

    2014-01-01

    Physical, biological, and chemical transformations are initiated by changes in the electronic configuration of the species involved. These electronic changes occur on the timescales of attoseconds (10−18 s) to femtoseconds (10−15 s) and drive all subsequent electronic reorganization as the system moves to a new equilibrium or quasi-equilibrium state. The ability to detect the dynamics of these electronic changes is crucial for understanding the potential energy surfaces upon which chemical and biological reactions take place. Here, we report on the determination of the electronic structure of matter using a single self-seeded femtosecond x-ray pulse from the Linac Coherent Light Source hard x-ray free electron laser. By measuring the high energy resolution off-resonant spectrum (HEROS), we were able to obtain information about the electronic density of states with a single femtosecond x-ray pulse. We show that the unoccupied electronic states of the scattering atom may be determined on a shot-to-shot basis and that the measured spectral shape is independent of the large intensity fluctuations of the incoming x-ray beam. Moreover, we demonstrate the chemical sensitivity and single-shot capability and limitations of HEROS, which enables the technique to track the electronic structural dynamics in matter on femtosecond time scales, making it an ideal probe technique for time-resolved X-ray experiments. PMID:26798772

  13. Mechanical Properties of Silicone Rubber Acoustic Lens Material Doped with Fine Zinc Oxide Powders for Ultrasonic Medical Probe

    NASA Astrophysics Data System (ADS)

    Yamamoto, Noriko; Yohachi; Yamashita; Itsumi, Kazuhiro

    2009-07-01

    The mechanical properties of high-temperature-vulcanization silicone (Q) rubber doped with zinc oxide (ZnO) fine powders have been investigated to develop an acoustic lens material with high reliability. The ZnO-doped Q rubber with an acoustic impedance (Z) of 1.46×106 kg·m-2·s-1 showed a tear strength of 43 N/mm and an elongation of 560%. These mechanical property values were about 3 times higher than those of conventional acoustic Q lens materials. The ZnO-doped Q rubbers also showed a lower abrasion loss. These superior characteristics are attributable to the microstructure with fewer origins of breaks; few pores and spherical fine ZnO powder. The high mechanical properties of ZnO-doped Q rubber acoustic lenses enable higher performance during long-life and safe operation during diagnosis using medical array probe applications.

  14. Superprotonic solid acids: Structure, properties, and applications

    NASA Astrophysics Data System (ADS)

    Boysen, Dane Andrew

    In this work, the structure and properties of superprotonic MH nXO4-type solid acids (where M = monovalent cation, X = S, Se, P, As, and n = 1, 2) have been investigated and, for the first time, applied in fuel cell devices. Several MH nXO4-type solid acids are known to undergo a "superprotonic" solid-state phase transition upon heating, in which the proton conductivity increases by several orders of magnitude and takes on values of ˜10 -2O-1cm-1. The presence of superprotonic conductivity in fully hydrogen bonded solid acids, such as CsH2PO4, has long been disputed. In these investigations, through the use of pressure, the unequivocal identification of superprotonic behavior in both RbH2PO4 and CsH2PO 4 has been demonstrated, whereas for chemically analogous compounds with smaller cations, such as KH2PO4 and NaH2PO 4, superprotonic conductivity was notably absent. Such observations have led to the adoption of radius ratio rules, in an attempt to identify a critical ion size effect on the presence of superprotonic conductivity in solid acids. It has been found that, while ionic size does play a prominent role in the presence of superprotonic behavior in solid acids, equally important are the effects of ionic and hydrogen bonding. Next, the properties of superprotonic phase transition have been investigated from a thermodynamic standpoint. With contributions from this work, a formulation has been developed that accounts for the entropy resulting from both the disordering of both hydrogen bonds and oxy-anion librations in the superprotonic phase of solid acids. This formulation, fundamentally derived from Linus Pauling's entropy rules for ice, accurately accounts for the change in entropy through a superprotonic phase transition. Lastly, the first proof-of-priniciple fuel cells based upon solid acid electrolytes have been demonstrated. Initial results based upon a sulfate electrolyte, CsHSO4, demonstrated the viability of solid acids, but poor chemical stability

  15. Investigation of optical and interfacial properties of Ag/Ta{sub 2}O{sub 5} metal dielectric multilayer structure

    SciTech Connect

    Sarkar, P. Jena, S.; Tokas, R. B.; Thakur, S.; Sahoo, N. K.; Rao, K. D.; Misal, J. S.; Prathap, C.

    2015-06-24

    One-dimensional periodic metal-dielectric multilayer thin film structures consisting of Ag and Ta{sub 2}O{sub 5} alternating layers are deposited on glass substrate using RF magnetron sputtering technique. The spectral property of the multilayers has been investigated using spectrophotometry technique. The optical parameters such as refractive index, extinction coefficient, band gap etc., along with film thickness as well as the interfacial layer properties which influence these properties have been probed with spectroscopic ellipsometry technique. Atomic force microscopy has been employed to characterize morphological properties of this metal-dielectric multilayer.

  16. Single-molecule and population probing of chromatin structure using DNA methyltransferases

    PubMed Central

    Kilgore, Jessica A.; Hoose, Scott A.; Gustafson, Tanya L.; Porter, Weston; Kladde, Michael P.

    2007-01-01

    Probing chromatin structure with DNA methyltransferases offers advantages over more commonly used nuclease-based and chromatin immunoprecipitation methods for detection of nucleosomes and non-histone protein-DNA interactions. Here we describe two related methods in which the readout of MTase accessibility is obtained by assaying 5-methylcytosine in DNA through the PCR-based technique of bisulfite genomic sequencing. The methyltransferase accessibility protocol (MAP) determines the relative frequency at which the enzyme accesses each of its target sites over an entire population of PCR amplified product. While MAP yields much quantitative information about relative accessibility of a region of chromatin, a complementary single-molecule view of methyltransferase accessibility, termed MAP for individual templates (MAP-IT), is provided by analysis of cloned PCR products. Absolute rather than relative methylation frequencies in a region are obtained by summing the methylation status at each site over a cohort of clones. Moreover, as the integrity of individual molecules is maintained in MAP-IT, unique information about the distribution of multiple footprints along continuous regions is gleaned. In principle, the population MAP and single-molecule MAP-IT strategies can be used to analyze chromatin structure in a variety of model systems. Here we describe the application of MAP in living S. cerevisiae cells and MAP-IT in the analysis of a mammalian tumor suppressor gene in nuclei. This application of MAP-IT provides the first means to simultaneously determine CpG methylation of mammalian genes and their overlying chromatin structure in the same single DNA molecule. PMID:17309843

  17. Atom probe tomography characterisation of a laser diode structure grown by molecular beam epitaxy

    SciTech Connect

    Bennett, Samantha E.; Humphreys, Colin J.; Oliver, Rachel A.; Smeeton, Tim M.; Hooper, Stewart E.; Heffernan, Jonathan; Saxey, David W.; Smith, George D. W.

    2012-03-01

    Atom probe tomography (APT) has been used to achieve three-dimensional characterization of a III-nitride laser diode (LD) structure grown by molecular beam epitaxy (MBE). Four APT data sets have been obtained, with fields of view up to 400 nm in depth and 120 nm in diameter. These data sets contain material from the InGaN quantum well (QW) active region, as well as the surrounding p- and n-doped waveguide and cladding layers, enabling comprehensive study of the structure and composition of the LD structure. Two regions of the same sample, with different average indium contents (18% and 16%) in the QW region, were studied. The APT data are shown to provide easy access to the p-type dopant levels, and the composition of a thin AlGaN barrier layer. Next, the distribution of indium within the InGaN QW was analyzed, to assess any possible inhomogeneity of the distribution of indium (''indium clustering''). No evidence for a statistically significant deviation from a random distribution was found, indicating that these MBE-grown InGaN QWs do not require indium clusters for carrier localization. However, the APT data show steps in the QW interfaces, leading to well-width fluctuations, which may act to localize carriers. Additionally, the unexpected presence of a small amount (x = 0.005) of indium in a layer grown intentionally as GaN was revealed. Finally, the same statistical method applied to the QW was used to show that the indium distribution within a thick InGaN waveguide layer in the n-doped region did not show any deviation from randomness.

  18. Probing the oxidation reduction properties of terrestrially and microbially derived dissolved organic matter

    NASA Astrophysics Data System (ADS)

    Fimmen, Ryan L.; Cory, Rose M.; Chin, Yu-Ping; Trouts, Tamara D.; McKnight, Diane M.

    2007-06-01

    Dissolved organic matter (DOM) has been shown to be an integral component in biogeochemical electron transfer reactions due to its demonstrated ability to facilitate redox reactions. While the role of DOM as a facilitator of electron transfer processes has been demonstrated, greater knowledge would lead to better understanding of the structural components responsible for redox behavior, such as quinones and nitrogen and sulfur (N/S) functional groups. This investigation uses direct scan voltammetry (DSV) coupled with fluorescence and NMR spectroscopy as well as thermochemolysis gas chromatography mass spectrometry (GC-MS) and X-ray photoelectron spectroscopy (XPS) to elucidate the organic moieties responsible for facilitating electron transfer reactions. We contrast electrochemical properties and structural details of three organic matter isolates from diverse sources; Great Dismal Swamp DOM (terrestrially derived, highly aromatic), Pony Lake DOM (microbially derived, highly aliphatic) and Toolik Lake (terrestrially derived, photochemically and microbially altered) with juglone (a redox-active model quinone). Aromatic and phenolic constituents were detected (by 13C NMR) and recovered (by thermochemolysis GC-MS) from all three fulvic acid samples, highlighting the ubiquity of these compounds and suggesting that the quinone-phenol redox couple is not limited to DOM derived from lignin precursors. The range of hydroxy-benzene and benzoic acid derivatives may explain the lack of a single pair of well-defined oxidation and reduction peaks in the DSV scans. The presence of a wide-range of hydroxylated benzoic acid isomers and other redox-active aromatic residues implies that native DOM possesses overlapping redox potentials analogous to their characteristic range of p Ka values.

  19. Probing self similar structures by studying the frequency of directional changes

    NASA Astrophysics Data System (ADS)

    Tabei, Ali; Burov, Stanislav; Milbrandt, Andrew; Spurgeon, Kyle

    It has been shown that in two and higher dimension, when the time series of individual particle trajectories exist, the distribution of relative angles of motion between successive time intervals of random motions provides information about stochastic processes, which is beyond the information obtained from studying mean squared displacement. We show that this distribution is a useful measure, which provides supplementary information about the structural properties of the media that a random walker is diffusing. We compare the behavior of this measure for common self-similar structures. We show that the distribution of relative angles is a good measure to discriminates different complex structural geometries. EPSCoR capacity building grant and UNI summer fellowship.

  20. Carbon fiber reinforced composites: their structural and thermal properties

    NASA Astrophysics Data System (ADS)

    Cheng, Jingquan; Yang, Dehua

    2010-07-01

    More and more astronomical telescopes use carbon fiber reinforced composites (CFRP). CFRP has high stiffness, high strength, and low thermal expansion. However, they are not isotropic in performance. Their properties are direction dependent. This paper discusses, in detail, the structural and thermal properties of carbon fiber structure members, such as tubes, plates, and honeycomb sandwich structures. Comparisons are provided both from the structural point of view and from the thermal point of view.

  1. Oxygen plasma flow properties deduced from laser-induced fluorescence and probe measurements.

    PubMed

    Löhle, Stefan; Eichhorn, Christoph; Steinbeck, Andreas; Lein, Sebastian; Herdrich, Georg; Röser, Hans-Peter; Auweter-Kurtz, Monika

    2008-04-10

    Estimation of the local dissociation degree and the local mass-specific enthalpy of a pure oxygen plasma flow determined mainly from laser-induced fluorescence measurements are reported. Measurements have been conducted for several generator parameters in an inductively heated plasma wind tunnel. Additional probe measurements of total pressure together with the deduced translational temperature are used to estimate the local mass-specific enthalpy. For a reference condition, full dissociation has been measured. The measured translational temperature of atomic oxygen for this condition is T = 3500 K. Subsequently, the local mass-specific enthalpy has been derived using these local density and temperature measurements. For the reference condition the estimated value of h = 27 MJ/kg is in good agreement with the probe measurements and results from diode laser absorption spectroscopy. PMID:18404183

  2. KINEMATIC PROPERTIES AS PROBES OF THE EVOLUTION OF DWARF GALAXIES IN THE VIRGO CLUSTER

    SciTech Connect

    Toloba, E.; Gorgas, J.; De Paz, A. Gil; Boselli, A.; Peletier, R. F.; Yildiz, U.; Cenarro, A. J.; Gadotti, D. A.; Pedraz, S.

    2009-12-10

    We present new observational results on the kinematical, morphological, and stellar population properties of a sample of 21 dEs located both in the Virgo Cluster and in the field, which show that 52% of the dEs (1) are rotationally supported, (2) exhibit structural signs of typical rotating systems such as disks, bars, or spiral arms, (3) are younger (approx3 Gyr) than non-rotating dEs, and (4) are preferentially located either in the outskirts of Virgo or in the field. This evidence is consistent with the idea that rotationally supported dwarfs are late-type spirals or irregulars that recently entered the cluster and lost their gas through a ram pressure stripping event, quenching their star formation and becoming dEs through passive evolution. We also find that all, but one, galaxies without photometric hints for hosting disks are pressure supported and are all situated in the inner regions of the cluster. This suggests a different evolution from the rotationally supported systems. Three different scenarios for these non-rotating galaxies are discussed (in situ formation, harassment, and ram pressure stripping).

  3. Kinematic Properties as Probes of the Evolution of Dwarf Galaxies in the Virgo Cluster

    NASA Astrophysics Data System (ADS)

    Toloba, E.; Boselli, A.; Gorgas, J.; Peletier, R. F.; Cenarro, A. J.; Gadotti, D. A.; Gil de Paz, A.; Pedraz, S.; Yildiz, U.

    2009-12-01

    We present new observational results on the kinematical, morphological, and stellar population properties of a sample of 21 dEs located both in the Virgo Cluster and in the field, which show that 52% of the dEs (1) are rotationally supported, (2) exhibit structural signs of typical rotating systems such as disks, bars, or spiral arms, (3) are younger (~3 Gyr) than non-rotating dEs, and (4) are preferentially located either in the outskirts of Virgo or in the field. This evidence is consistent with the idea that rotationally supported dwarfs are late-type spirals or irregulars that recently entered the cluster and lost their gas through a ram pressure stripping event, quenching their star formation and becoming dEs through passive evolution. We also find that all, but one, galaxies without photometric hints for hosting disks are pressure supported and are all situated in the inner regions of the cluster. This suggests a different evolution from the rotationally supported systems. Three different scenarios for these non-rotating galaxies are discussed (in situ formation, harassment, and ram pressure stripping).

  4. Adhesion properties of hydrogen on Sb(111) probed by helium atom scattering

    NASA Astrophysics Data System (ADS)

    Kraus, P.; Gösweiner, Ch.; Tamtögl, A.; Apolloner, F.; Ernst, W. E.

    2016-06-01

    We have carried out a series of helium atom scattering measurements in order to characterise the adsorption properties of hydrogen on antimony(111). Molecular hydrogen does not adsorb at temperatures above 110 K in contrast to pre-dissociated atomic hydrogen. Depending on the substrate temperature, two different adlayer phases of atomic hydrogen on Sb(111) occur. At low substrate temperatures (110 K), the deposited hydrogen layer does not show any ordering while we observe a perfectly ordered (1× 1) H/Sb(111) structure for deposition at room temperature. Furthermore, the amorphous hydrogen layer deposited at low temperature forms an ordered overlayer upon heating the crystal to room temperature. Hydrogen starts to desorb at Tm = 430 \\text{K} which corresponds to a desorption energy of Edes=(1.33+/-0.06) \\text{eV} . Using measurements of the helium reflectivity during hydrogen exposure at different surface temperatures, we conclude that the initial sticking coefficient of atomic hydrogen on Sb(111) decreases with increasing surface temperature. Furthermore, the scattering cross-section for the diffuse scattering of helium from hydrogen on Sb(111) is determined as Σ = (12 +/- 1) \\unicode{8491}2 .

  5. Structure-function properties of anticorrosive exopolyaccharides

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Nanoscale biobased exopolymer films were shown that provide protection to metal substrates under corrosive environments and that the films could be self-repairing in aqueous environments. This work describes the fundamental properties of thin exopolymer films including thermodynamic properties, film...

  6. Graph theory in structure-property correlations

    NASA Astrophysics Data System (ADS)

    Vinogradova, M. G.; Fedina, Yu. A.; Papulov, Yu. G.

    2016-02-01

    The possibilities of the theoretical graph approach to the construction and interpretation of additive schemes for calculation and prediction are discussed. Working formulas are derived for calculating the thermodynamic properties of alkanes and their substitutes. The obtained algorithms are used to calculate thermodynamic properties of chloroalkanes that correspond to experimental values.

  7. Structural and plasmonic properties of gold nanocrystals

    NASA Astrophysics Data System (ADS)

    Sivapalan, Sean T.

    The design of gold nanoparticles for surface-enhanced Raman scattering (SERS) and plasmonic enhanced fluorescence are more involved than simply maximizing the local field enhancement. The enhancement is a function of the excitation wavelength relative to the plasmon resonance as well as the distance of the reporter molecules from the nanoparticles' surface. For suspension based measurements, additional considerations must also be made regarding absorption and scattering effects as light propagates through the sample. These effects are in addition to the other more commonly observed effects such as nanocrystal shape. With such a wide number of variables in play, a series of studies breaking down each of these components and their contribution to the observed enhancement is warranted. In this thesis, a series of experiments were undertaken using a platform based on polyelectrolyte coating of gold nanoparticles by layer-by-layer deposition. The reporter molecules are bound onto the surface of polyelectrolyte coated nanoparticles before trap coating them with an additional oppositely charged polyelectrolyte layer. By etching away the gold nanoparticle using potassium cyanide, we are then able to quantify the number of reporter molecule per nanoparticle using mass spectrometry. With this quantitative approach, we can the directly compare the effects of the aforementioned enhancement mechanisms on the observed signal intensity. This method overcomes some of the disparities in literature between reported values of enhancement due to assumption in the number of reporter molecules contribution to the signal intensity. Using our group's expertise, we synthesized gold nanoparticle libraries of nanorods, cubes, trisoctahedra and spheres of different sizes. Each geometric configuration was characterized using a recently developed TEM technique---nano-beam coherent area diffraction. The as-synthesized were exposed to a coherent electron beam with probe size similar to that of

  8. Probing of field-induced structures and their dynamics in ferrofluids using oscillatory rheology.

    PubMed

    Felicia, Leona J; Philip, John

    2014-10-21

    We probe field-induced structures and their dynamics in ferrofluids using oscillatory rheology. The magnetic field dependence of the relaxation time and crossover modulus showed two distinct regions, indicating the different microstructures in those regions. The observed relaxation at various magnetic field strengths indicates that side chains are attached to the pinned single-sphere-width chains between the rheometer plates. Our results suggest that the ferrofluid under a magnetic field exhibits a soft solidlike behavior whose relaxation is governed by the imposed strain rate and the magnetic field. Using the scaling factors obtained from the frequency and modulus at the crossover point in the oscillatory rheological measurements, the constant strain-rate frequency sweep data is superimposed onto a single master curve. The frequency scaling factor increases with the strain rate as a power law with an exponent close to unity, whereas the amplitude scaling factor is almost strain-rate-independent at high magnetic field strengths. These findings are useful for a better understanding of field-induced ordering of nanoparticles in fluids and their optimization for practical applications. PMID:25268053

  9. Outflow Structure of the Quiet Sun Corona Probed by Spacecraft Radio Scintillations in Strong Scattering

    NASA Astrophysics Data System (ADS)

    Imamura, Takeshi; Tokumaru, Munetoshi; Isobe, Hiroaki; Shiota, Daikou; Ando, Hiroki; Miyamoto, Mayu; Toda, Tomoaki; Häusler, Bernd; Pätzold, Martin; Nabatov, Alexander; Asai, Ayumi; Yaji, Kentaro; Yamada, Manabu; Nakamura, Masato

    2014-06-01

    Radio scintillation observations have been unable to probe flow speeds in the low corona where the scattering of radio waves is exceedingly strong. Here we estimate outflow speeds continuously from the vicinity of the Sun to the outer corona (heliocentric distances of 1.5-20.5 solar radii) by applying the strong scattering theory to radio scintillations for the first time, using the Akatsuki spacecraft as the radio source. Small, nonzero outflow speeds were observed over a wide latitudinal range in the quiet-Sun low corona, suggesting that the supply of plasma from closed loops to the solar wind occurs over an extended area. The existence of power-law density fluctuations down to the scale of 100 m was suggested, which is indicative of well-developed turbulence which can play a key role in heating the corona. At higher altitudes, a rapid acceleration typical of radial open fields is observed, and the temperatures derived from the speed profile show a distinct maximum in the outer corona. This study opened up a possibility of observing detailed flow structures near the Sun from a vast amount of existing interplanetary scintillation data.

  10. Micron-sized structure in a thin glycerol film revealed by fluorescent probes.

    PubMed

    Xia, Ted; Xiao, Liantuan; Orrit, Michel

    2009-12-01

    We report on micrometer-sized structures in supercooled glycerol observed by imaging fluorescent probes at the temperatures close to, but above, the glass transition temperature (190 K). Two distinct heterogeneous patterns of the fluorescence intensity were detected, depending on how fast the sample was cooled down. In a slowly cooled sample, we observed a Swiss cheese-like pattern in which many micrometer-sized dark spots were nucleated in a bright background. A quickly cooled sample resulted in a spinodal decomposition pattern where many bright island-like features on micrometer scale were dispersed in a dark matrix. Similar patterns were seen earlier in triphenyl phosphite, another molecular liquid, which shows solid-like behavior at temperatures above its glass transition. Once the heterogeneous patterns are formed in the glycerol, they can persist for days, unless the samples are heated above 260 K for more than 10 h. Such heterogeneous patterns are ascribed to differential dye distributions in the glycerol film, pointing to long-lived and micrometer-scale density fluctuations in supercooled glycerol. The observation of such heterogeneity may provide additional understanding on how supercooled glycerol behaves before it turns into a glass. PMID:19929008

  11. Studying Star and Planet Formation with the Submillimeter Probe of the Evolution of Cosmic Structure

    NASA Technical Reports Server (NTRS)

    Rinehart, Stephen A.

    2005-01-01

    The Submillimeter Probe of the Evolution of Cosmic Structure (SPECS) is a far- infrared/submillimeter (40-640 micrometers) spaceborne interferometry concept, studied through the NASA Vision Missions program. SPECS is envisioned as a 1-km baseline Michelson interferometer with two 4- meter collecting mirrors. To maximize science return, SPECS will have three operational modes: a photometric imaging mode, an intermediate spectral resolution mode (R approximately equal to 1000-3000), and a high spectral resolution mode (R approximately equal to 3 x 10(exp 5)). The first two of these modes will provide information on all sources within a 1 arcminute field-of-view (FOV), while the the third will include sources in a small (approximately equal to 5 arcsec) FOV. With this design, SPECS will have angular resolution comparable to the Hubble Space Telescope (50 mas) and sensitivity more than two orders of magnitude better than Spitzer (5sigma in 10ks of approximately equal to 3 x 10(exp 7) Jy Hz). We present here some of the results of the recently-completed Vision Mission Study for SPECS, and discuss the application of this mission to future studies of star and planet formation.

  12. Outflow structure of the quiet sun corona probed by spacecraft radio scintillations in strong scattering

    SciTech Connect

    Imamura, Takeshi; Ando, Hiroki; Toda, Tomoaki; Nakamura, Masato; Tokumaru, Munetoshi; Shiota, Daikou; Isobe, Hiroaki; Asai, Ayumi; Miyamoto, Mayu; Häusler, Bernd; Pätzold, Martin; Nabatov, Alexander; Yaji, Kentaro; Yamada, Manabu

    2014-06-20

    Radio scintillation observations have been unable to probe flow speeds in the low corona where the scattering of radio waves is exceedingly strong. Here we estimate outflow speeds continuously from the vicinity of the Sun to the outer corona (heliocentric distances of 1.5-20.5 solar radii) by applying the strong scattering theory to radio scintillations for the first time, using the Akatsuki spacecraft as the radio source. Small, nonzero outflow speeds were observed over a wide latitudinal range in the quiet-Sun low corona, suggesting that the supply of plasma from closed loops to the solar wind occurs over an extended area. The existence of power-law density fluctuations down to the scale of 100 m was suggested, which is indicative of well-developed turbulence which can play a key role in heating the corona. At higher altitudes, a rapid acceleration typical of radial open fields is observed, and the temperatures derived from the speed profile show a distinct maximum in the outer corona. This study opened up a possibility of observing detailed flow structures near the Sun from a vast amount of existing interplanetary scintillation data.

  13. Optogenetic interrogation of neural circuits: technology for probing mammalian brain structures

    PubMed Central

    Zhang, Feng; Gradinaru, Viviana; Adamantidis, Antoine R; Durand, Remy; Airan, Raag D; de Lecea, Luis; Deisseroth, Karl

    2015-01-01

    Elucidation of the neural substrates underlying complex animal behaviors depends on precise activity control tools, as well as compatible readout methods. Recent developments in optogenetics have addressed this need, opening up new possibilities for systems neuroscience. Interrogation of even deep neural circuits can be conducted by directly probing the necessity and sufficiency of defined circuit elements with millisecond-scale, cell type-specific optical perturbations, coupled with suitable readouts such as electrophysiology, optical circuit dynamics measures and freely moving behavior in mammals. Here we collect in detail our strategies for delivering microbial opsin genes to deep mammalian brain structures in vivo, along with protocols for integrating the resulting optical control with compatible readouts (electrophysiological, optical and behavioral). The procedures described here, from initial virus preparation to systems-level functional readout, can be completed within 4–5 weeks. Together, these methods may help in providing circuit-level insight into the dynamics underlying complex mammalian behaviors in health and disease. PMID:20203662

  14. Probing the shell structure near {sup 54}Ca and {sup 100}Sn

    SciTech Connect

    Kruecken, R.

    2008-11-11

    In this contribution results will be reported from two recent experiments at the GSI Fragmentseparator (FRS). The first experiment is using one-nucleon knockout with relativistic fragments from a 500 AMeV {sup 86}Kr primary beam to probe the single-particle structure in {sup 49}Ca and {sup 55}Ti. From the one-neutron knockout in the neutron-rich nuclei {sup 50}Ca and the N = 34 nucleus {sup 56}Ti cross sections and momentum distributions were deduced allowing the determination of angular momentum values and spectroscopic factors for individual states.In the second experiment decay spectroscopy of {sup 100}Sn and nuclei in its vicinity was performed. The nuclei of interest were produced using the fragmentation of a 1 AGeV {sup 124}Xe primary beam. The RISING gamma-ray detector array was used in close geometry to detect gamma-decay following isomeric as well as beta decays. Aside from the production of more that 200 {sup 100}Sn nuclei, several new isotopes and isomers were discovered.

  15. Probing the pH dependent optical properties of aquatic, terrestrial and microbial humic substances by sodium borohydride reduction

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Chemically reducing humic (HA) and fulvic acids (FA) provides insight into spectroscopically identifiable structural moieties generating the optical properties of HA/FA from aquatic, microbial and terrestrial sources. Sodium borohydride reduction provides targeted reduction of carbonyl groups. The...

  16. Morphology and mechanical properties of multi-stranded amyloid fibrils probed by atomistic and coarse-grained simulations

    NASA Astrophysics Data System (ADS)

    Yoon, Gwonchan; Lee, Myeongsang; Kim, Kyungwoo; In Kim, Jae; Chang, Hyun Joon; Baek, Inchul; Eom, Kilho; Na, Sungsoo

    2015-12-01

    Amyloid fibrils are responsible for pathogenesis of various diseases and exhibit the structural feature of an ordered, hierarchical structure such as multi-stranded helical structure. As the multi-strandedness of amyloid fibrils has recently been found to be highly correlated with their toxicity and infectivity, it is necessary to study how the hierarchical (i.e. multi-stranded) structure of amyloid fibril is formed. Moreover, although it has recently been reported that the nanomechanics of amyloid proteins plays a key role on the amyloid-induced pathogenesis, a critical role that the multi-stranded helical structure of the fibrils plays in their nanomechanical properties has not fully characterized. In this work, we characterize the morphology and mechanical properties of multi-stranded amyloid fibrils by using equilibrium molecular dynamics simulation and elastic network model. It is shown that the helical pitch of multi-stranded amyloid fibril is linearly proportional to the number of filaments comprising the amyloid fibril, and that multi-strandedness gives rise to improving the bending rigidity of the fibril. Moreover, we have also studied the morphology and mechanical properties of a single protofilament (filament) in order to understand the effect of cross-β structure and mutation on the structures and mechanical properties of amyloid fibrils. Our study sheds light on the underlying design principles showing how the multi-stranded amyloid fibril is formed and how the structure of amyloid fibrils governs their nanomechanical properties.

  17. A simple auxetic tubular structure with tuneable mechanical properties

    NASA Astrophysics Data System (ADS)

    Ren, Xin; Shen, Jianhu; Ghaedizadeh, Arash; Tian, Hongqi; Xie, Yi Min

    2016-06-01

    Auxetic materials and structures are increasingly used in various fields because of their unusual properties. Auxetic tubular structures have been fabricated and studied due to their potential to be adopted as oesophageal stents where only tensile auxetic performance is required. However, studies on compressive mechanical properties of auxetic tubular structures are limited in the current literature. In this paper, we developed a simple tubular structure which exhibits auxetic behaviour in both compression and tension. This was achieved by extending a design concept recently proposed by the authors for generating 3D metallic auxetic metamaterials. Both compressive and tensile mechanical properties of the auxetic tubular structure were investigated. It was found that the methodology for generating 3D auxetic metamaterials could be effectively used to create auxetic tubular structures as well. By properly adjusting certain parameters, the mechanical properties of the designed auxetic tubular structure could be easily tuned.

  18. Design of Hybrid Solid Polymer Electrolytes: Structure and Properties

    NASA Technical Reports Server (NTRS)

    Bronstein, Lyudmila M.; Karlinsey, Robert L.; Ritter, Kyle; Joo, Chan Gyu; Stein, Barry; Zwanziger, Josef W.

    2003-01-01

    This paper reports synthesis, structure, and properties of novel hybrid solid polymer electrolytes (SPE's) consisting of organically modified aluminosilica (OM-ALSi), formed within a poly(ethylene oxide)-in-salt (Li triflate) phase. To alter the structure and properties we fused functionalized silanes containing poly(ethylene oxide) (PEO) tails or CN groups.

  19. Probing the structural basis for differential KCNQ1 modulation by KCNE1 and KCNE2.

    PubMed

    Wang, Yuhong; Zhang, Mei; Xu, Yu; Jiang, Min; Zankov, Dimitar P; Cui, Meng; Tseng, Gea-Ny

    2012-12-01

    KCNE1 associates with KCNQ1 to increase its current amplitude and slow the activation gating process, creating the slow delayed rectifier channel that functions as a "repolarization reserve" in human heart. The transmembrane domain (TMD) of KCNE1 plays a key role in modulating KCNQ1 pore conductance and gating kinetics, and the extracellular juxtamembrane (EJM) region plays a modulatory role by interacting with the extracellular surface of KCNQ1. KCNE2 is also expressed in human heart and can associate with KCNQ1 to suppress its current amplitude and slow the deactivation gating process. KCNE1 and KCNE2 share the transmembrane topology and a high degree of sequence homology in TMD and surrounding regions. The structural basis for their distinctly different effects on KCNQ1 is not clear. To address this question, we apply cysteine (Cys) scanning mutagenesis to TMDs and EJMs of KCNE1 and KCNE2. We analyze the patterns of functional perturbation to identify high impact positions, and probe disulfide formation between engineered Cys side chains on KCNE subunits and native Cys on KCNQ1. We also use methanethiosulfonate reagents to probe the relationship between EJMs of KCNE subunits and KCNQ1. Our data suggest that the TMDs of both KCNE subunits are at about the same location but interact differently with KCNQ1. In particular, the much closer contact of KCNE2 TMD with KCNQ1, relative to that of KCNE1, is expected to impact the allosteric modulation of KCNQ1 pore conductance and may explain their differential effects on the KCNQ1 current amplitude. KCNE1 and KCNE2 also differ in the relationship between their EJMs and KCNQ1. Although the EJM of KCNE1 makes intimate contacts with KCNQ1, there appears to be a crevice between KCNQ1 and KCNE2. This putative crevice may perturb the electrical field around the voltage-sensing domain of KCNQ1, contributing to the differential effects of KCNE2 versus KCNE1 on KCNQ1 gating kinetics. PMID:23183700

  20. Nanoscale probe of magnetism, orbital occupation, and structural distortions in iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Cantoni, Claudia

    2014-03-01

    Local probes of atomic and electronic structures with sub-nanometer spatial resolution can provide additional insights into the physics of iron-based superconductors (FBS) by resolving the influence of inhomogeneities that are typically averaged over by bulk-sensitive techniques. Here we apply aberration-corrected scanning transmission electron microscopy coupled with electron energy loss spectroscopy to a wide class of iron-based superconductors and parent compounds to decipher the interplay between crystal distortions, local magnetic moment, orbital occupancy, and charge doping in these complex materials. In addition to revealing universal trends for hole concentration and local magnetic moment across families of FBS, we directly observe the effects of magneto-elastic coupling in 122 arsenides at room temperature, well above the structural and antiferromagnetic transition. The presence of atomic displacements indicates that the C4 tetragonal symmetry is already broken at room temperature in unstrained crystals, lowering the symmetry to orthorhombic (I2mm), and that all of the crystals are twinned with domains the size of a few nanometers. By tracking these local atomic displacements as a function of doping level x, in Ba(Fe1-xCox)2 As2, we find that the domain size correlates with the magnitude of the dynamic Fe moment, and both are enhanced near optimal doping where the ordered moment is suppressed. The non-monotonic behavior of the local Fe magnetic moment is linked to the strong coupling between lattice, spin, and orbital degrees of freedom. Research supported by the Materials Sciences and Engineering Division Office of Basic Energy Sciences, U.S. Department of Energy.

  1. The innermost dusty structure in active galactic nuclei as probed by the Keck interferometer

    NASA Astrophysics Data System (ADS)

    Kishimoto, M.; Hönig, S. F.; Antonucci, R.; Barvainis, R.; Kotani, T.; Tristram, K. R. W.; Weigelt, G.; Levin, K.

    2011-03-01

    We are now exploring the inner region of type 1 active galactic nuclei (AGNs) with the Keck interferometer in the near-infrared. Adding to the four targets previously studied, we report measurements of the K-band (2.2 μm) visibilities for four more targets, namely AKN120, IC 4329A, Mrk6, and the radio-loud QSO 3C 273 at z = 0.158. The observed visibilities are quite high for all the targets, which we interpret as an indication of the partial resolution of the dust sublimation region. The effective ring radii derived from the observed visibilities scale approximately with L1/2, where L is the AGN luminosity. Comparing the radii with those from independent optical-infrared reverberation measurements, these data support our previous claim that the interferometric ring radius is either roughly equal to or slightly larger than the reverberation radius. We interpret the ratio of these two radii for a given L as an approximate probe of the radial distribution of the inner accreting material. We show tentative evidence that this inner radial structure might be closely related to the radio-loudness of the central engine. Finally, we re-observed the brightest Seyfert 1 galaxy NGC 4151. Its marginally higher visibility at a shorter projected baseline, compared to our previous measurements obtained one year before, further supports the partial resolution of the inner structure. We did not detect any significant change in the implied emission size when the K-band flux was brightened by a factor of 1.5 over a time interval of one year.

  2. Structure and Thermal Properties of Porous Geological Materials

    NASA Astrophysics Data System (ADS)

    Kirk, Simon; Williamson, David

    2011-06-01

    Understanding the behaviour of porous geological materials is important for developing models of the explosive loading of rock in mining applications. To this end it is essential to first characterise its complex internal structure. Knowing the structure shows how the properties of the component materials relate to the overall properties of rock. The structure and mineralogy of Gosford sandstone was investigated and this information was used to predict its thermal properties. The thermal properties of the material were measured experimentally and compared against these predictions.

  3. Materials Properties and Solvated Electron Dynamics of Isolated Nanoparticles and Nanodroplets Probed with Ultrafast Extreme Ultraviolet Beams.

    PubMed

    Ellis, Jennifer L; Hickstein, Daniel D; Xiong, Wei; Dollar, Franklin; Palm, Brett B; Keister, K Ellen; Dorney, Kevin M; Ding, Chengyuan; Fan, Tingting; Wilker, Molly B; Schnitzenbaumer, Kyle J; Dukovic, Gordana; Jimenez, Jose L; Kapteyn, Henry C; Murnane, Margaret M

    2016-02-18

    We present ultrafast photoemission measurements of isolated nanoparticles in vacuum using extreme ultraviolet (EUV) light produced through high harmonic generation. Surface-selective static EUV photoemission measurements were performed on nanoparticles with a wide array of compositions, ranging from ionic crystals to nanodroplets of organic material. We find that the total photoelectron yield varies greatly with nanoparticle composition and provides insight into material properties such as the electron mean free path and effective mass. Additionally, we conduct time-resolved photoelectron yield measurements of isolated oleylamine nanodroplets, observing that EUV photons can create solvated electrons in liquid nanodroplets. Using photoemission from a time-delayed 790 nm pulse, we observe that a solvated electron is produced in an excited state and subsequently relaxes to its ground state with a lifetime of 151 ± 31 fs. This work demonstrates that femotosecond EUV photoemission is a versatile surface-sensitive probe of the properties and ultrafast dynamics of isolated nanoparticles. PMID:26807653

  4. Electromagnetic methods for measuring materials properties of cylindrical rods and array probes for rapid flaw inspection

    SciTech Connect

    Sun, Haiyan

    2005-05-01

    field in the presence of a finite a two-layer rod and a conductive tube. The results are in very good agreement with those obtained by using a 2D finite element code. In the third part, a new probe technology with enhanced flaw detection capability is described. The new probe can reduce inspection time through the use of multiple Hall sensors. A prototype Hall array probe has been built and tested with eight individual Hall sensor ICs and a racetrack coil. Electronic hardware was developed to interface the probes to an oscilloscope or an eddy current instrument. To achieve high spatial resolution and to limit the overall probe size, high-sensitivity Hall sensor arrays were fabricated directly on a wafer using photolithographic techniques and then mounted in their unencapsulated form. The electronic hardware was then updated to interface the new probes to a laptop computer.

  5. Infrared Structural Biology of Proteins: Development of Vibrational Structural Markers for Probing the Structural Dynamics of COO- of Asp/Glu in Proteins

    NASA Astrophysics Data System (ADS)

    Kang, Zhouyang; Xie, Aihua

    2013-03-01

    Asp and Glu often play critical roles in the active sites of proteins. Probing the structural dynamics of functionally important Asp and/or Glu provides crucial information for protein functionality. Time-resolved infrared structural biology offers strong advantages for its high structural sensitivity and broad dynamic range (ps to ks). In order to connect the vibrational frequencies to specific structures of COO- groups, such as the number, type, and geometry of hydrogen bond interactions, we develop two vibrational structural markers (VSM), built on the symmetric and asymmetric COO- stretching frequencies. Extensive quantum physics (density functional theory) based computational studies, combined with 13C isotopic editing of Asp/Glu and experimental FTIR data on Asp/Glu in proteins, are used to establish a unique correlation between the symmetric and asymmetric COO- vibrations with more than 10 types of hydrogen bonding interactions. Development of the COO- VSM markers enhances the power of time-resolved infrared structural biology for the study of functionally important structural dynamics of COO- in proteins, including rhodopsin for biological signaling, bacteriorhodopsin for proton transfer, photosystem II for energy transformation, and HIV protease for enzymatic catalysis.

  6. Spectral Properties of the Anionic Form of the Molecular Probe Fet

    NASA Astrophysics Data System (ADS)

    Tomin, V. I.; Jaworski, R.

    2014-07-01

    The relationship of the fluorescence spectral characteristics of the anionic form of the molecular probe 4'-(diethylamino)-3-hydroxyflavone (FET) to intramolecular proton transfer in a weakly polar solvent (CH2Cl2) was studied. The fluorescence spectrum of this form had a broad featureless band in the area between the shortwavelength and long-wavelength fluorescence bands of FET. Its excitation spectrum had strong UV maxima (350 and 305 nm). This fluorescence disappeared completely if the solution was cooled to 1 °C. The deprotonation mechanism of neutral FET molecules was discussed.

  7. Probing the Twisted Structure of Sickle Hemoglobin Fibers via Particle Simulations.

    PubMed

    Lu, Lu; Li, Xuejin; Vekilov, Peter G; Karniadakis, George Em

    2016-05-10

    Polymerization of sickle hemoglobin (HbS) is the primary pathogenic event of sickle cell disease. For insight into the nature of the HbS polymer fiber formation, we develop a particle model-resembling a coarse-grained molecular model-constructed to match the intermolecular contacts between HbS molecules. We demonstrate that the particle model predicts the formation of HbS polymer fibers by attachment of monomers to rough fiber ends and the growth rate increases linearly with HbS concentration. We show that the characteristic 14-molecule fiber cross section is preserved during growth. We also correlate the asymmetry of the contact sites on the HbS molecular surface with the structure of the polymer fiber composed of seven helically twisted double strands. Finally, we show that the same asymmetry mediates the mechanical and structural properties of the HbS polymer fiber. PMID:27166816

  8. Fine structures of organic photovoltaic thin films probed by frequency-shift electrostatic force microscopy

    NASA Astrophysics Data System (ADS)

    Araki, Kento; Ie, Yutaka; Aso, Yoshio; Matsumoto, Takuya

    2016-07-01

    The localized charge and electrostatic properties of organic photovoltaic thin films are predominating factors for controlling energy conversion efficiency. The surface potential and electrostatic structures of organic photovoltaic thin films were investigated by frequency shift mode Kelvin force microscopy (KFM) and electrostatic force microscopy (EFM). The KFM images of a poly[2-methoxy-5-(3‧,7‧-dimethyloctyloxy)-1,4-phenylene vinylene]/phenyl-C61-butyric-acid-methyl ester (PCBM) blend thin film reveals that the PCBM domains precipitate as the topmost layer on the thin films. We find fine structures that were not observed in the topography and KFM images. The bias dependence of the EFM images suggests that the EFM contrast reflects the field-induced polarization, indicating the presence of charge trapping sites.

  9. Structural modifications of swift heavy ion irradiated PEN probed by optical and thermal measurements

    NASA Astrophysics Data System (ADS)

    Devgan, Kusum; Singh, Lakhwant; Samra, Kawaljeet Singh

    2013-07-01

    The effects of swift heavy ion irradiation on the structural characteristics of Polyethylene naphthalate (PEN) were studied. Samples were irradiated in vacuum at room temperature by lithium (50 MeV), carbon (85 MeV), nickel (120 MeV) and silver (120 MeV) ions with the fluence in the range of 1×1011-3×1012 ions cm-2. Ion induced changes were analyzed using X-ray diffraction (XRD), Fourier transform infra red (FT-IR), UV-visible spectroscopy, thermo-gravimetric analysis (TGA) and differential scanning calorimetry (DSC) techniques. Cross-linking was observed at lower doses resulting in modification of structural properties, however higher doses lead to the degradation of the investigated polymeric samples.

  10. Water structure for suspensions of saponite in binary aqueous mixtures as probed by NMR

    SciTech Connect

    Grandjean, J.; Laszlo, P.

    1995-10-01

    Surface properties of swelling clays (smectites) are crucial to such diverse applications as drilling for oil, paints, water treatment, or chemical reactions. The structure at the liquid/solid interface of a lithiated saponite is monitored by NMR methods. For clay suspensions in water/methanol mixtures, the two components at the clay interface are correlated: the liquid structure is enhanced until alcohol molar ratios of ca. 0.1. With acetone as a cosolvent, water and acetone molecules behave independently. As the ketone content increases, acetone molecules penetrate more extensively into the interfacial region, solvating exchangeable lithium ions; water molecules at the clay surface are not significantly affected. A similar behavior is observed with acetonitrile as a cosolvent.

  11. Electrical properties and porosity of the first meter of the nucleus of 67P/Churyumov-Gerasimenko. As constrained by the Permittivity Probe SESAME-PP/Philae/Rosetta

    NASA Astrophysics Data System (ADS)

    Lethuillier, Anthony; Le Gall, Alice; Hamelin, Michel; Schmidt, Walter; Seidensticker, Klaus J.; Grard, Réjean; Ciarletti, Valérie; Caujolle-Bert, Sylvain; Fischer, Hans-Herbert; Trautner, Roland

    2016-06-01

    Context. Comets are primitive objects, remnants of the volatile-rich planetesimals from which the solar system condensed. Knowing their structure and composition is thus crucial for the understanding of our origins. After the successful landing of Philae on the nucleus of 67P/Churyumov-Gerasimenko in November 2014, for the first time, the Rosetta mission provided the opportunity to measure the low frequency electrical properties of a cometary mantle with the permittivity probe SESAME-PP (Surface Electric Sounding and Acoustic Monitoring Experiment-Permittivity Probe). Aims: In this paper, we conduct an in-depth analysis of the data from active measurements collected by SESAME-PP at Abydos, which is the final landing site of Philae, to constrain the porosity and, to a lesser extent, the composition of the surface material down to a depth of about 1 m. Methods: SESAME-PP observations on the surface are then analyzed by comparison with data acquired during the descent toward the nucleus and with numerical simulations that explore different possible attitudes and environments of Philae at Abydos using a method called the Capacity-Influence Matrix Method. Results: Reasonably assuming that the two receiving electrode channels have not drifted with respect to each other during the ten-year journey of the Rosetta probe to the comet, we constrain the dielectric constant of the first meter below the surface at Abydos to be >2.45 ± 0.20, which is consistent with a porosity <50% if the dust phase is analogous to carbonaceous chondrites and <75% in the case of less primitive ordinary chondrites. This indicates that the near surface of the nucleus of 67P/Churyumov-Gerasimenko is more compacted than its interior and suggests that it could consist of a sintered dust-ice layer.

  12. Structure and physical properties of transparent ferroelectric ceramics

    NASA Astrophysics Data System (ADS)

    Krumin', A. E.; Shternberg, A. R.

    1987-10-01

    Transparent ferroelectric ceramics (TFCs) are currently being used in the design of various solid-state optoelectronic devices. This paper examines the composition and structure of TFCs as well as requirements on the preparation of TFCs and criteria for the search for new TFC compositions. The properties of TFCs are examined, including the electrooptical effect, optical and electrooptical properties in the infrared, nonlinear-optical properties, the effect of radiation on the physical properties of TFCs, and phase-transition characteristics.

  13. Probe measurements of the three-dimensional magnetic field structure in a rotating magnetic field sustained field-reversed configuration

    SciTech Connect

    Velas, K. M.; Milroy, R. D.

    2014-01-15

    A translatable three-axis probe was constructed and installed on the translation, confinement, and sustainment upgrade (TCSU) experiment. With ninety windings, the probe can simultaneously measure B{sub r}, B{sub θ}, and B{sub z} at 30 radial positions, and can be placed at any desired axial position within the field reversed configuration (FRC) confinement chamber. Positioning the probe at multiple axial positions and taking multiple repeatable shots allows for a full r-z map of the magnetic field. Measurements were made for odd-parity rotating magnetic field (RMF) antennas and even-parity RMF. The steady state data from applying a 10 kHz low pass filter used in conjunction with data at the RMF frequency yields a map of the full 3D rotating field structure. Comparisons will be made to the 3D magnetic structure predicted by NIMROD simulations, with parameters adjusted to match that of the TCSU experiments. The probe provides sufficient data to utilize a Maxwell stress tensor approach to directly measure the torque applied to the FRC's electrons, which combined with a resistive torque model, yields an estimate of the average FRC resistivity.

  14. Characterizing structural and vibrational properties of nanoparticles embedded in silica with XAS, SAXS and auxiliary techniques

    NASA Astrophysics Data System (ADS)

    Araujo, Leandro L.; Kluth, Patrick; Giulian, Raquel; Sprouster, David J.; Johannessen, Bernt; Foran, Garry J.; Cookson, David J.; Ridgway, Mark C.

    2009-01-01

    Synchrotron-based techniques were combined with conventional analysis methods to probe in detail the structural and vibrational properties of nanoparticles grown in a silica matrix by ion implantation and thermal annealing, as well as the evolution of such properties as a function of nanoparticle size. This original approach was successfully applied for several elemental nanoparticles (Au, Co, Cu, Ge, Pt) and the outcomes for Ge are reported here, illustrating the power of this combined methodology. The thorough analysis of XANES, EXAFS, SAXS, TEM and Raman data for Ge nanoparticles with mean diameters between 4 and 9 nm revealed that the peculiar properties of embedded Ge nanoparticles, like the existence of amorphous Ge layers between the silica matrix and the crystalline nanoparticle core, are strongly dependent on particle size and mainly governed by the variation in the surface area-to-volume ratio. Such detailed information provides valuable input for the efficient planning of technological applications.

  15. Characterizing structural and vibrational properties of nanoparticles embedded in silica with XAS, SAXS and auxiliary techniques

    SciTech Connect

    Araujo, Leandro L.; Kluth, Patrick; Giulian, Raquel; Sprouster, David J.; Ridgway, Mark C.; Johannessen, Bernt; Foran, Garry J.; Cookson, David J.

    2009-01-29

    Synchrotron-based techniques were combined with conventional analysis methods to probe in detail the structural and vibrational properties of nanoparticles grown in a silica matrix by ion implantation and thermal annealing, as well as the evolution of such properties as a function of nanoparticle size. This original approach was successfully applied for several elemental nanoparticles (Au, Co, Cu, Ge, Pt) and the outcomes for Ge are reported here, illustrating the power of this combined methodology. The thorough analysis of XANES, EXAFS, SAXS, TEM and Raman data for Ge nanoparticles with mean diameters between 4 and 9 nm revealed that the peculiar properties of embedded Ge nanoparticles, like the existence of amorphous Ge layers between the silica matrix and the crystalline nanoparticle core, are strongly dependent on particle size and mainly governed by the variation in the surface area-to-volume ratio. Such detailed information provides valuable input for the efficient planning of technological applications.

  16. Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations.

    PubMed

    Jin, Yuanyuan; Lu, Shengjie; Hermann, Andreas; Kuang, Xiaoyu; Zhang, Chuanzhao; Lu, Cheng; Xu, Hongguang; Zheng, Weijun

    2016-01-01

    We present a combined experimental and theoretical study of ruthenium doped germanium clusters, RuGen(-) (n = 3-12), and their corresponding neutral species. Photoelectron spectra of RuGen(-) clusters are measured at 266 nm. The vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) are obtained. Unbiased CALYPSO structure searches confirm the low-lying structures of anionic and neutral ruthenium doped germanium clusters in the size range of 3 ≤ n ≤ 12. Subsequent geometry optimizations using density functional theory (DFT) at PW91/LANL2DZ level are carried out to determine the relative stability and electronic properties of ruthenium doped germanium clusters. It is found that most of the anionic and neutral clusters have very similar global features. Although the global minimum structures of the anionic and neutral clusters are different, their respective geometries are observed as the low-lying isomers in either case. In addition, for n > 8, the Ru atom in RuGen(-/0) clusters is absorbed endohedrally in the Ge cage. The theoretically predicted vertical and adiabatic detachment energies are in good agreement with the experimental measurements. The excellent agreement between DFT calculations and experiment enables a comprehensive evaluation of the geometrical and electronic structures of ruthenium doped germanium clusters. PMID:27439955

  17. Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations

    PubMed Central

    Jin, Yuanyuan; Lu, Shengjie; Hermann, Andreas; Kuang, Xiaoyu; Zhang, Chuanzhao; Lu, Cheng; Xu, Hongguang; Zheng, Weijun

    2016-01-01

    We present a combined experimental and theoretical study of ruthenium doped germanium clusters, RuGen− (n = 3–12), and their corresponding neutral species. Photoelectron spectra of RuGen− clusters are measured at 266 nm. The vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) are obtained. Unbiased CALYPSO structure searches confirm the low-lying structures of anionic and neutral ruthenium doped germanium clusters in the size range of 3 ≤ n ≤ 12. Subsequent geometry optimizations using density functional theory (DFT) at PW91/LANL2DZ level are carried out to determine the relative stability and electronic properties of ruthenium doped germanium clusters. It is found that most of the anionic and neutral clusters have very similar global features. Although the global minimum structures of the anionic and neutral clusters are different, their respective geometries are observed as the low-lying isomers in either case. In addition, for n > 8, the Ru atom in RuGen−/0 clusters is absorbed endohedrally in the Ge cage. The theoretically predicted vertical and adiabatic detachment energies are in good agreement with the experimental measurements. The excellent agreement between DFT calculations and experiment enables a comprehensive evaluation of the geometrical and electronic structures of ruthenium doped germanium clusters. PMID:27439955

  18. Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations

    NASA Astrophysics Data System (ADS)

    Jin, Yuanyuan; Lu, Shengjie; Hermann, Andreas; Kuang, Xiaoyu; Zhang, Chuanzhao; Lu, Cheng; Xu, Hongguang; Zheng, Weijun

    2016-07-01

    We present a combined experimental and theoretical study of ruthenium doped germanium clusters, RuGen‑ (n = 3–12), and their corresponding neutral species. Photoelectron spectra of RuGen‑ clusters are measured at 266 nm. The vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) are obtained. Unbiased CALYPSO structure searches confirm the low-lying structures of anionic and neutral ruthenium doped germanium clusters in the size range of 3 ≤ n ≤ 12. Subsequent geometry optimizations using density functional theory (DFT) at PW91/LANL2DZ level are carried out to determine the relative stability and electronic properties of ruthenium doped germanium clusters. It is found that most of the anionic and neutral clusters have very similar global features. Although the global minimum structures of the anionic and neutral clusters are different, their respective geometries are observed as the low-lying isomers in either case. In addition, for n > 8, the Ru atom in RuGen‑/0 clusters is absorbed endohedrally in the Ge cage. The theoretically predicted vertical and adiabatic detachment energies are in good agreement with the experimental measurements. The excellent agreement between DFT calculations and experiment enables a comprehensive evaluation of the geometrical and electronic structures of ruthenium doped germanium clusters.

  19. Structural and vibrational properties of Co nanoparticles formed by ion implantation

    NASA Astrophysics Data System (ADS)

    Sprouster, D. J.; Giulian, R.; Araujo, L. L.; Kluth, P.; Johannessen, B.; Cookson, D. J.; Foran, G. J.; Ridgway, M. C.

    2010-01-01

    We report on the structural and vibrational properties of Co nanoparticles formed by ion implantation and thermal annealing in amorphous silica. The evolution of the nanoparticle size, phase, and structural parameters were determined as a function of the formation conditions using transmission electron microscopy, small-angle x-ray scattering, and x-ray absorption spectroscopy. The implantation fluence and annealing temperature governed the spherical nanoparticle size and phase. To determine the latter, x-ray absorption near-edge structure analysis was used to quantify the hexagonal close packed, face-centered cubic and oxide fractions. The structural properties were characterized by extended x-ray absorption fine structure spectroscopy (EXAFS) and finite-size effects were readily apparent. With a decrease in nanoparticle size, an increase in structural disorder and a decrease in both coordination number and bondlength were observed as consistent with the non-negligible surface-area-to-volume ratio characteristic of nanoparticles. The surface tension of Co nanoparticles calculated using a liquid drop model was more than twice that of bulk material. The size-dependent vibrational properties were probed with temperature-dependent EXAFS measurements. Using a correlated anharmonic Einstein model and thermodynamic perturbation theory, Einstein temperatures for both nanoparticles and bulk material were determined. Compared to bulk Co, the mean vibrational frequency of the smallest nanoparticles was reduced as attributed to a greater influence of loosely bonded, undercoordinated surface atoms relative to the effect of capillary pressure generated by surface curvature.

  20. Use of scanning probe microscopy to study the evolution of nanometer sized liquid structures

    NASA Astrophysics Data System (ADS)

    Aloisi, Giovanni; Bacci, Federico; Carlà, Marcello; Dolci, David

    2011-10-01

    The evolution of the profile of nanometer sized water drops on a mica surface has been studied through hydration scanning probe microscopy. A time range from a few seconds down to a fraction of millisecond after the formation of the drop has been explored. This high time resolution has been obtained by sampling a series of statistically equivalent drops. This approach also avoids any probe interference during the drop evolution process.

  1. Estimation of soil profile physical and chemical properties using a VIS-NIR-EC-force probe

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Combining data collected in-field from multiple soil sensors has the potential to improve the efficiency and accuracy of soil property estimates. Optical diffuse reflectance spectroscopy (DRS) has been used to estimate many important soil properties, such as soil carbon, water content, and texture. ...

  2. Structural dynamics and folding of beta-lactoglobulin probed by heteronuclear NMR.

    PubMed

    Sakurai, Kazumasa; Konuma, Tsuyoshi; Yagi, Masanori; Goto, Yuji

    2009-06-01

    Bovine beta-lactoglobulin (beta LG) has been one of the most extensively studied proteins in the history of protein science mainly because its abundance in cow's milk makes it readily available to researchers. However, compared to other textbook proteins, progress in the study of beta LG has been slow because of obstacles such as a low reversibility from denaturation linked with thiol-disulfide exchange or monomer-dimer equilibrium preventing a detailed NMR analysis. Recently, the expression of various types of recombinant beta LGs combined with heteronuclear NMR analysis has significantly improved understanding of the physico-chemical properties of beta LG. In this review, we address several topics including pH-dependent structural dynamics, ligand binding, and the complex folding mechanism with non-native intermediates. These unique properties might be brought about by conformational frustration of the beta LG structure, partly attributed to the relatively large molecular size of beta LG. We expect studies with beta LG to continue to reveal various important findings, difficult to obtain with small globular proteins, leading to a more comprehensive understanding of the conformation, dynamics and folding of proteins. PMID:19362581

  3. A Small Area In-Situ MEMS Test Structure to Accurately Measure Fracture Strength by Electrostatic Probing

    SciTech Connect

    Bitsie, Fernando; Jensen, Brian D.; de Boer, Maarten

    1999-07-15

    We have designed, fabricated, tested and modeled a first generation small area test structure for MEMS fracture studies by electrostatic rather than mechanical probing. Because of its small area, this device has potential applications as a lot monitor of strength or fatigue of the MEMS structural material. By matching deflection versus applied voltage data to a 3-D model of the test structure, we develop high confidence that the local stresses achieved in the gage section are greater than 1 GPa. Brittle failure of the polycrystalline silicon was observed.

  4. Real-time photoacoustic tomograpghy using linear array probe and detection of line structure using Hough transform.

    PubMed

    Shin, Seung-Won; Park, Jaebyung; Shin, Dong Ho; Song, Chul-Gyu; Kim, Kyeong-Seop

    2015-01-01

    A real-time photoacoustic tomography (PAT) system is developed using a linear array probe and phantom images are acquired with a pattern of line structure. Moreover, it is attempted to detect line structures from the acquired images by Hough transform. This effort leads to the measurement of a process of magenta passing through a tube and acquisition of images at a speed of about 2 frame/sec. Besides, it is confirmed that the Hough transform applied on the acquired PAT images has the detection rate of about 50% for delineating a line structure. PMID:26405912

  5. Group-galaxy correlations in redshift space as a probe of the growth of structure

    NASA Astrophysics Data System (ADS)

    Mohammad, F. G.; de la Torre, S.; Bianchi, D.; Guzzo, L.; Peacock, J. A.

    2016-05-01

    We investigate the use of the cross-correlation between galaxies and galaxy groups to measure redshift-space distortions (RSD) and thus probe the growth rate of cosmological structure. This is compared to the classical approach based on using galaxy auto-correlation. We make use of realistic simulated galaxy catalogues that have been constructed by populating simulated dark matter haloes with galaxies through halo occupation prescriptions. We adapt the classical RSD dispersion model to the case of the group-galaxy cross-correlation function and estimate the RSD parameter β by fitting both the full anisotropic correlation function ξs(rp, π) and its multipole moments. In addition, we define a modified version of the latter statistics by truncating the multipole moments to exclude strongly non-linear distortions at small transverse scales. We fit these three observable quantities in our set of simulated galaxy catalogues and estimate statistical and systematic errors on β for the case of galaxy-galaxy, group-group, and group-galaxy correlation functions. When ignoring off-diagonal elements of the covariance matrix in the fitting, the truncated multipole moments of the group-galaxy cross-correlation function provide the most accurate estimate, with systematic errors below 3 per cent when fitting transverse scales larger than 10 h-1 Mpc. Including the full data covariance enlarges statistical errors but keep unchanged the level of systematic error. Although statistical errors are generally larger for groups, the use of group-galaxy cross-correlation can potentially allow the reduction of systematics while using simple linear or dispersion models.

  6. Constraints on primordial non-Gaussianity from large scale structure probes

    SciTech Connect

    Xia, Jun-Qing; Baccigalupi, Carlo; Matarrese, Sabino; Verde, Licia; Viel, Matteo E-mail: bacci@sissa.it E-mail: liciaverde@icc.ub.edu

    2011-08-01

    In this paper we measure the angular power spectra C{sub l} of three high-redshift large-scale structure probes: the radio sources from the NRAO VLA Sky Survey (NVSS), the quasar catalogue of Sloan Digital Sky Survey Release Six (SDSS DR6 QSOs) and the MegaZ-LRG (DR7), the final SDSS II Luminous Red Galaxy (LRG) photometric redshift survey. We perform a global analysis of the constraints on the amplitude of primordial non-Gaussianity from these angular power spectra, as well as from their cross-correlation power spectra with the cosmic microwave background (CMB) temperature map. In particular, we include non-Gaussianity of the type arising from single-field slow roll, multifields, curvaton (local type), and those which effects on the halo clustering can be described by the equilateral template (related to higher-order derivative type non-Gaussianity) and by the enfolded template (related to modified initial state or higher-derivative interactions). When combining all data sets, we obtain limits of f{sub NL} = 48±20, f{sub NL} = 50±265 and f{sub NL} = 183±95 at 68% confidence level for local, equilateral and enfolded templates, respectively. Furthermore, we explore the constraint on the cubic correction g{sub NL}φ{sup 3} on the bias of dark matter haloes and obtain a limit of −1.2 × 10{sup 5} < g{sub NL} < 11.3 × 10{sup 5} at 95% confidence level.

  7. Crust structure, geodynamic and metallogenisis of major metallogenic belts in East China: an introduction to SinoProbe-03 (Invited)

    NASA Astrophysics Data System (ADS)

    Lu, Q.; Chang, Y.

    2010-12-01

    SinoProbe is a new Chinese government-founded scientific Project with the overall aims of exploring the deep structure and geogynamic evolution of the continental crust and lithosphere beneath China. As a third sub-Project, the SinoProbe-03 is focus on two typical metallogenic belts: the South range and the middle and lower Yangtze River of Eastern China. The former is characterized by its world-class tungsten, tin and multimetal (Sb-Bi-Pb-Zn) metallogenisis which was considered to be related to crust-derived magma; whereas, the later is characterized by its iron, cupper and multimetal (Au-S-Pb-Zn) metallogenisis which was thought to be related to mantle-derived magma. The main questions related to two metallogenic belts that SinoProbe-03 plan to address are: (1) the crustal structure and geodynamic processes for generation and migration of magma, what’s the sources characteristics that eventually control the metal types; (2) the fine upper-crust structure(<10km) of the major ore district ( e.g. Luzong, Tongling and Yudu-Ganxian), and how they control the ore-forming process, and the spatial distribution of major ore-bearing strata and ore-controlling structure; (3) the efficiency of integrated geophysical methods ( e.g. AMT, CSAMT, SIP, TEM), especially the seismic reflection method, in direct detection of deep ( 2km) ore-bearing formations or ore-controlling structure. SinoProbe-03 is therefore an multidisciplinary programme, combining surface observations with deep geophysical (near-vertical reflection, wide-angle reflection, broadband seismic array and magnetotellurics) and geochemical probing, applying, adapting and developing the latest technology to obtain an integrated image of the whole crust of the two metallogenic belts. Through this programme, we try to better understanding how the mineral systems (or large deposits) was initiated and evolved under the framework of geodynamic evolution. Acknowledgment: We acknowledge the financial support of SinoProbe

  8. Structure and properties of "nematically ordered" aerogels

    NASA Astrophysics Data System (ADS)

    Asadchikov, V. E.; Askhadullin, R. Sh.; Volkov, V. V.; Dmitriev, V. V.; Kitaeva, N. K.; Martynov, P. N.; Osipov, A. A.; Senin, A. A.; Soldatov, A. A.; Chekrygina, D. I.; Yudin, A. N.

    2015-04-01

    The microstructure, specific area, and mechanical properties of various samples of "nematically ordered" aerogels whose strands are almost parallel to each other at macroscopic distances have been studied. The strong anisotropy of such aerogels distinguishes them from standard aerogels, which are synthesized by solgel technology, and opens new possibilities for physical experiments.

  9. Structural and mechanical properties of thorium carbide

    SciTech Connect

    Aynyas, Mahendra; Pataiya, Jagdeesh; Arya, B. S.; Singh, A.; Sanyal, S. P.

    2015-06-24

    We have investigated the cohesive energies, equilibrium lattice constants, pressure-volume relationship, phase transition pressure and elastic constant for thorium carbide using an interionic potential theory with modified ionic charge, which includes Coulomb screening effect due to d-electrons. This compound undergoes structural phase transition from NaCl (B{sub 1}) to CsCl (B{sub 2}) structure at high pressure 40 GPa. We have also calculated bulk, Young, and shear moduli, Poisson ratio and anisotropic ratio in NaCl (B{sub 1}) structure and compared them with other experimental and theoretical results which show a good agreement.

  10. Probing Structural Changes in a Phosphonate-based Metal-Organic Framework Exhibiting Reversible Dehydration

    SciTech Connect

    Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zo,; #324; Jerzy,; Clearfield, Abraham

    2013-08-02

    A one-step hydrothermal synthesis with small amines and 1,3,5-benzenetriphosphonic acid was used to prepare single crystals of isostructural anionic metal–organic frameworks (MOF): Zn2.5(H)0.4–0.5(C6H3O9P3)(H2O)1.9–2(NH4)0.5–0.6 and Zn2.5(H)0.75(C6H3O9P3)(H2O)2(CH3NH3)0.25. The ammonium ions are exchangeable with lithium ions. The MOF exhibits reversible dehydration, and the process was studied by two complementary methods: solid state NMR and in situ X-ray diffraction. These experiments revealed three different phases. The crystal structures of all phases have been determined, showing loss in volume of the structure due to a phase change. The ammonium ions remain in the structure and are forced to occupy the larger pores due to a reduction in free volume. The change in positions of the guest molecules in the framework has an effect on the potential conductivity properties of the materials. Changes in framework and guest molecules due to negative expansion have an effect on other physical and chemical properties and need to be explored.

  11. Assessing the dependence of bulk ice properties from probes with anti-shatter tips on environmental conditions

    NASA Astrophysics Data System (ADS)

    Jackson, Robert C.

    Ice clouds have significant impacts on the Earth's radiative budget. Their radiative impact highly depends on ice cloud microphysical properties. Climate and weather prediction models have to make certain assumptions about how the various processes are represented. Observations of how cloud properties vary with environmental conditions can help evaluate some parameterizations used in models. However, sufficient data are not available to characterize how ice crystal properties vary as a function of environmental conditions. Furthermore, many of these assumptions are derived from historical datasets collected by in situ probes, namely optical array probes that can be contaminated by shattered artifacts generated by large particles shattering on the probe tips and inlets. Therefore this study has two main objectives. Prior estimates of ice crystal size distributions derived from 2D Cloud Probes (2DCs) have been artificially amplified by small ice crystals generated from the shattering of large ice crystals on the probe tips. Although anti-shatter tips and algorithms exist, there is considerable uncertainty in their effectiveness. Therefore, this thesis first examines the differences in ice crystal size distributions, and bulk and optical properties from adjacent 2DCs with standard and anti-shatter tips, and processed with and without anti-shattering algorithms. The measurements were obtained from the National Research Council of Canada Convair-580 during the 2008 Indirect and Semi-Direct Aerosol Campaign (ISDAC) and the National Center for Atmospheric Research C-130 during the 2011 Instrumentation Development and Education in Airborne Science 2011 (IDEAS-2011). The 2DC size distributions are compared with those from the Holographic Detector for Clouds (HOLODEC), which has anti-shatter tips and allows for identification of shattering through spatial statistics. The ratio of the number concentration N of particles with maximum dimensions 125 to 500 mum from the 2DC with

  12. Structures and physical properties of R2TX3 compounds

    NASA Astrophysics Data System (ADS)

    Pan, Zhi-Yan; Cao, Chong-De; Bai, Xiao-Jun; Song, Rui-Bo; Zheng, Jian-Bang; Duan, Li-Bing

    2013-05-01

    Rare-earth compounds have been an attractive subject based on the unique electronic structures of the rare-earth elements. Novel ternary intermetallic compounds R2TX3 (R = rare-earth element or U, T = transition-metal element, X = Si, Ge, Ga, In) are a significant branch of this research field due to their complex and intriguing physical properties, such as magnetic order at low temperature, spin-glass behavior, Kondo effect, heavy fermion behavior, and so on. The unique physical properties of R2TX3 compounds are related to distinctive electronic structures, crystal structures, microinteraction, and external environment. Most R2TX3 compounds crystallize in AlB2-type or derived AlB2-type structures and exhibit many similar properties. This paper gives a concise review of the structures and physical properties of these compounds. Spin glass, magnetic susceptibility, resistivity, and specific heat of R2TX3 compounds are discussed.

  13. Electronic structure and photophysical properties of polyimides

    SciTech Connect

    LaFemina, J.P.; Kafafi, S.A.

    1992-04-01

    The quantum mechanical AM1 and CNDO/S3 models were used to examine the effect of isoelectronic substitutions on the conformation, electronic structure, and optical absorption spectra for a series of aromatic polyimides. An analysis of the geometric changes at the substitution site and its effect on the electronic structure allowed for the prediction of changes in the ICT band of the optical absorption spectra.

  14. Effects of finite probing windows on the interpretation of the multifractal properties of random walks

    NASA Astrophysics Data System (ADS)

    Giuggioli, L.; Viswanathan, G. M.; Kenkre, V. M.; Parmenter, R. R.; Yates, T. L.

    2007-02-01

    We investigate the general problem of how the finiteness of a probing window for measurements of the movements of a random walker can lead to spurious detection of multifractality as well as to incorrect values of Hurst exponents, and propose a method for correcting for these effects. We also study the case in which the roaming region of the walker is itself of limited extent, when a nonlinear interplay occurs between the roaming area and the window size. In the context of animal movements, we describe briefly an application of these ideas to mark-recapture observations in a mouse population, of interest to the important topic of the spread of the Hantavirus epidemic.

  15. Quantum-chemical investigations of spectroscopic properties of a fluorescence probe

    NASA Astrophysics Data System (ADS)

    Titova, T. Yu.; Morozova, Yu. P.; Zharkova, O. M.; Artyukhov, V. Ya.; Korolev, B. V.

    2012-09-01

    The prodan molecule (6-propionyl-2-dimethylamino naphthalene) - fluorescence probe - is investigated by quantum-chemical methods of intermediate neglect of differential overlap (INDO) and molecular electrostatic potential (MEP). The dipole moments of the ground and excited states, the nature and position of energy levels, the centers of specific solvation, the rate constants of photoprocesses, and the fluorescence quantum yield are estimated. To elucidate the role of the dimethylamino group in the formation of bands and spectral characteristics, the molecule only with the propionyl group (pron) is investigated. The long-wavelength absorption bands of prodan and pron molecules are interpreted. The results obtained for the prodan molecule by the INDO method with original spectroscopic parameterization are compared with the literature data obtained by the DFT/CIS, ZINDO/S, and AM1/CISD methods.

  16. Structure-Function-Property-Design Interplay in Biopolymers: Spider Silk

    PubMed Central

    Tokareva, Olena; Jacobsen, Matthew; Buehler, Markus; Wong, Joyce; Kaplan, David L.

    2013-01-01

    Spider silks have been a focus of research for almost two decades due to their outstanding mechanical and biophysical properties. Recent advances in genetic engineering have led to the synthesis of recombinant spider silks, thus helping to unravel a fundamental understanding of structure-function-property relationships. The relationships between molecular composition, secondary structures, and mechanical properties found in different types of spider silks are described, along with a discussion of artificial spinning of these proteins and their bioapplications, including the role of silks in biomineralization and fabrication of biomaterials with controlled properties. PMID:23962644

  17. Fluorescent properties and spontaneous Raman spectroscopy of new ketocyanine probes in organic solvents

    NASA Astrophysics Data System (ADS)

    Nemkovich, N. A.; Sobchuk, A. N.; Khodasevich, I. A.

    2006-11-01

    We have used fluorescence spectroscopy and spontaneous Raman spectroscopy to study the characteristics of two ketocyanine dyes: 2,5-di[(E)-1-(4-diethylaminophenyl)methylidene]-1-cyclopentanone (CPET) and 2-[(E)-1-(4-diethylaminophenyl)methylidene]-5-{(E)-1-[4-(4,7,10,13-tetraoxa-1-azacyclopentadecalin) phenyl]methylidene}-1-cyclopentanone (CPMR) in organic solvents. The position of their electronic spectra depends strongly on the polarity of the solvent. We measured the dipole moments of the dyes in the equilibrium ground state and the Franck-Condon excited state. In mixtures of neutral nonpolar toluene with aprotic polar dimethylsulfoxide, we observe inhomogeneous broadening of the electronic spectra for the indicated compounds, due to fluctuations in solution of the intermolecular interaction energy. The time-resolved characteristics of fluorescence obtained suggest formation of an intermolecular hydrogen bond between the dye and the surrounding medium in a toluene-ethanol mixture. We measured the Raman spectra of CPET and CPMR in different organic solvents. The most intense lines in the 1582 1591 cm-1 region can be assigned to stretching of the phenyl rings of the molecules; the lines in the 831 842 cm-1 region can be assigned to a cyclopentanone ring mode; the lines at 1186 1195 cm-1 can be assigned to stretching of the =C-C-bond of the phenyl ring and rocking of the H atoms of the phenyl ring. We have observed that the position and width of the lines for the stretching vibrations of the ketocyanines depend substantially on the polarity of the surrounding medium. The studied dyes can be used as probes for studying different biological systems by site-selective laser spectroscopy and Raman spectroscopy. The fact that these two methods can be used simultaneously for diagnostics of biosystems is an important advantage of ketocyanine dyes compared with other known probes.

  18. Structure and properties of diamond and diamond-like films

    SciTech Connect

    Clausing, R.E.

    1993-01-01

    This section is broken into four parts: (1) introduction, (2) natural IIa diamond, (3) importance of structure and composition, and (4) control of structure and properties. Conclusions of this discussion are that properties of chemical vapor deposited diamond films can compare favorably with natural diamond, that properties are anisotropic and are a strong function of structure and crystal perfection, that crystal perfection and morphology are functions of growth conditions and can be controlled, and that the manipulation of texture and thereby surface morphology and internal crystal perfection is an important step in optimizing chemically deposited diamond films for applications.

  19. Fiber: composition, structures, and functional properties.

    PubMed

    Sims, Ian M; Monro, John A

    2013-01-01

    Kiwifruit dietary fiber consists of cell-wall polysaccharides that are typical of the cell walls of many dicotyledonous fruits, being composed of pectic polysaccharides, hemicelluloses, and cellulose. The kiwifruit pectic polysaccharides consist of homo- and rhamnogalacturonans with various neutral, (arabino)-galactan side chains, while the hemicelluloses are mostly xyloglucan and xylan. The proportions of pectic polysaccharide, hemicellulose, and cellulose in both green 'Hayward' and 'Zespri® Gold' are similar and are little affected by in vitro exposure to gastric and small intestinal digestion. The hydration properties of the kiwifruit-swelling and water retention capacity-are also unaffected by foregut digestion, indicating that the functional properties of kiwifruit fiber survive in the foregut. However, in the hindgut, kiwifruit fiber is fermented, but whole kiwifruit consumed in association with slowly fermented fiber leads to distal displacement of fermentation, indicating that hindgut benefits of kiwifruit may result from its interaction with other dietary sources of fiber. PMID:23394983

  20. Strain Engineering of the Band Structure and Picosecond Carrier Dynamics of Single Semiconductor Nanowires Probed by Modulated Rayleigh Scattering Microscopy

    NASA Astrophysics Data System (ADS)

    Montazeri, Mohammad

    The band structure and carrier dynamics of GaAs, GaAs/GaP and InP semiconductor nanowires is explored using a variety of optical spectroscopy techniques including two newly developed techniques called Photomodulated and Transient Rayleigh scattering spectroscopy. The stress and electronic band structure of as-grown highly strained GaAs/GaP core/shell nanowire is studied via room temperature Raman scattering by phonons and low temperature photoluminescence spectroscopy. Raman measurements reveal the uniaxial nature of the shell-induced stress in the core GaAs nanowire with a significantly different degree of compression in the radial plane and axial direction of the nanowire. The uniaxial stress dramatically modifies the electronic band structure of the nanowire. Raman measurements predict that the shell-induced stress should shift the band gap of GaAs to higher energies by ~260 meV which is experimentally confirmed by low temperature photoluminescence spectroscopy. Furthermore, it is predicted that the uniaxial stress in the nanowire removes the degeneracy of the heavy and light hole valence bands at the zone center by ~100 meV. In order to probe the electronic band structure of single nanowires with high spatial and spectral resolution, the new technique of Photomodulated Rayleigh Scattering spectroscopy (PMRS) is introduced. We show that by photomodulating the dielectric function of the nanowire, the background-free and robust differential Rayleigh spectrum measures the band structure of the nanowire with exceptionally high energy resolution. PMRS measurements are performed on zincblende GaAs and zincblende and wurtzite InP nanowires at both room and low temperature. Furthermore, we show that the diameters of the nanowires can be extracted from the PMRS spectra with an uncertainty of only a few nanometers. By extending the PMRS spectroscopy into time domain, we introduce Transient Rayleigh Scattering spectroscopy (TRS) to study the ultrafast carrier dynamics and

  1. MPOD: A Material Property Open Database linked to structural information

    NASA Astrophysics Data System (ADS)

    Pepponi, Giancarlo; Gražulis, Saulius; Chateigner, Daniel

    2012-08-01

    Inspired by the Crystallography Open Database (COD), the Material Properties Open Database (MPOD) was given birth. MPOD aims at collecting and making publicly available at no charge tensorial properties (including scalar properties) of phases and linking such properties to structural information of the COD when available. MPOD files are written with the STAR file syntax, used and developed for the Crystallographic Information Files. A dictionary containing new definitions has been written according to the Dictionary Definition Language 1, although some tricks were adopted to allow for multiple entries still avoiding ambiguousness. The initial set includes mechanical properties, elastic stiffness and compliance, internal friction; electrical properties, resistivity, dielectric permittivity and stiffness, thermodynamic properties, heat capacity, thermal conductivity, diffusivity and expansion; electromechanical properties, piezoelectricity, electrostriction, electromechanical coupling; optical properties; piezooptic and photoelastic properties; superconducting properties, critical fields, penetration and coherence lengths. Properties are reported in MPOD files where the original published paper containing the data is cited and structural and experimental information is also given. One MPOD file contains information relative to only one publication and one phase. The files and the information contained therein can also be consulted on-line at http://www.materialproperties.org.

  2. Investigation of pulsed eddy current probes for detection of defects in riveted structures

    NASA Astrophysics Data System (ADS)

    Yang, Binfeng; Zhang, Hui; Kang, Zhibin; Wang, Xiaofeng

    2013-09-01

    The fatigue crack is the threat to integrity and safety of fuselage lap-joints. Quantification of fatigue cracks by designing and utilisation of an optimised electromagnetic nondestructive evaluation probe can insure the flight safety of aircrafts. In this paper, pulsed eddy current (PEC) for detection and characterisation of fatigue cracks is investigated. The principle of PEC is analysed first, from which four different models of PEC probes are simulated in ANSYS. The signal features, namely zero-crossing time, zero-crossing frequency and peak value are extracted from the time and frequency domains in an effort to qualitatively compare the crack detectability of the four models. The sensitivities of the different probes to cracks are analysed quantitatively. The difference in detectability among the probes is investigated based on the working principle. Simulation results show that the probe consisting of two horizontal detecting coils along with a magnetic field shield focusing the flux has the highest detectability. The conclusions derived from the simulation study are also validated by experiments.

  3. Site-specific fluorescent probing of RNA molecules by unnatural base-pair transcription for local structural conformation analysis.

    PubMed

    Hikida, Yasushi; Kimoto, Michiko; Yokoyama, Shigeyuki; Hirao, Ichiro

    2010-07-01

    Methods for fluorescent probing at a defined position of RNA provide powerful tools for analyzing the local structural conformation of functional RNA molecules by tracking fluorescence changes. In this article, we describe the site-specific fluorescent probing of RNA by transcription with an expanded genetic alphabet, using an extra, unnatural base pair between 2-amino-6-(2-thienyl)purine (s) and pyrrole-2-carbaldehyde (Pa). The protocol comprises template DNA preparation containing Pa, transcription involving fluorescent s incorporation and structural analysis of transcripts. The s base is strongly fluorescent, and its nucleoside 5'-triphosphate is site-specifically incorporated into RNA transcripts, opposite Pa in DNA templates, by conventional T7 transcription. The fluorescent intensity of s changes depending on its environment around the probe site, providing clues about the local structural features of RNA molecules. This is the first protocol for RNA transcript preparation with fluorescent labeling at a desired position. The procedure for s-containing RNA preparation takes about 2-3 d. PMID:20595959

  4. Effects of Metal Particle Dopant on Acoustic Attenuation Properties of Silicone Rubber Lens for Medical Echo Array Probe

    NASA Astrophysics Data System (ADS)

    Yamashita, Yohachi (John); Hosono, Yasuharu; Itsumi, Kazuhiro

    2005-06-01

    A low-acoustic-attenuation silicone rubber lens was developed by using a nanometer-size fine metal powder as a dopant for silicone rubber. Ten-nanometer-platinum (Pt)-powder-doped silicone rubber material showed not only a low sound velocity of 0.858 km/s, but also low acoustic attenuation properties, 0.84 dB/mmMHz with an acoustic impedance of 1.37 MRalys. By virtue of its low sound velocity and low attenuation, the Pt-doped silicone rubber provides a better figure of merit (attenuation x sound velocity) for the acoustic lens material of medical array probes than does silicone-rubber doped with conventional inorganic powders, namely, SiO2, TiO2, or Al2O3. The Pt-doped silicone lens material provides increased sensitivity for the high-frequency, 5 to 10-MHz-probe application because it can be used to realize a thinner lens than conventionally used.

  5. Multishell Au/Ag/SiO2 nanorods with tunable optical properties as single particle orientation and rotational tracking probes

    DOE PAGESBeta

    Chen, Kuangcai; Lin, Chia -Cheng; Vela, Javier; Fang, Ning

    2015-04-07

    In this study, three-layer core–shell plasmonic nanorods (Au/Ag/SiO2–NRs), consisting of a gold nanorod core, a thin silver shell, and a thin silica layer, were synthesized and used as optical imaging probes under a differential interference contrast microscope for single particle orientation and rotational tracking. The localized surface plasmon resonance modes were enhanced upon the addition of the silver shell, and the anisotropic optical properties of gold nanorods were maintained. The silica coating enables surface functionalization with silane coupling agents and provides enhanced stability and biocompatibility. Taking advantage of the longitudinal LSPR enhancement, the orientation and rotational information of the hybridmore » nanorods on synthetic lipid bilayers and on live cell membranes were obtained with millisecond temporal resolution using a scientific complementary metal-oxide-semiconductor camera. The results demonstrate that the as-synthesized hybrid nanorods are promising imaging probes with improved sensitivity and good biocompatibility for single plasmonic particle tracking experiments in biological systems.« less

  6. Hot Gas in Merging Subgroups; Probing the Early Stages of Structure Formation

    NASA Astrophysics Data System (ADS)

    Machacek, Marie

    2014-08-01

    To fully understand the growth of large scale structure in hierarchical cosmological models, we must first understand how their building blocks, low mass galaxy subgroups, evolve through mergers. These galaxy subgroups are X-ray faint and difficult to observe at high redshift. The study of near-by subgroup mergers may be used as templates to gain insight into the dominant dynamical processes that are at work in the early universe. We use Chandra observations of edges, tails and wings in a sample of near-by galaxy groups ( Pavo, Telescopium, Pegasus, NGC7618/UGC12491 to measure the properties of the diffuse gas, merger velocities, shocks and non-hydrostatic gas 'sloshing', as their common ICM envelopes evolves.

  7. A probe array for the investigation of spatio-temporal structures in drift wave turbulence

    SciTech Connect

    Latten, A.; Klinger, T.; Piel, A.; Pierre, T.

    1995-05-01

    A probe array with 64 azimuthally arranged Langmuir probes is presented as a new diagnostic tool for the investigation of drift waves. A parallel data acquisition system provides full spatio-temporal data of azimuthally propagating waves. For both regular and turbulent states of current-driven drift waves, the information provided by such space-time patterns is compared with results obtained from conventional two-point correlation methods. The probe array allows one to directly estimate the time-averaged wave number spectrum. In a turbulent state, the spectrum yields to a power law of {ital S}({ital k}){proportional_to}{ital k}{sup {minus}3.6{plus_minus}0.1}. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  8. Exploring a 2-Naphthoic Acid Template for the Structure-Based Design of P2Y14 Receptor Antagonist Molecular Probes

    PubMed Central

    2015-01-01

    The P2Y14 receptor (P2Y14R), one of eight P2Y G protein-coupled receptors (GPCR), is involved in inflammatory, endocrine, and hypoxic processes and is an attractive pharmaceutical target. The goal of this research is to develop high-affinity P2Y14R fluorescent probes based on the potent and highly selective antagonist 4-(4-(piperidin-4-yl)-phenyl)-7-(4-(trifluoromethyl)-phenyl)-2-naphthoic acid (6, PPTN). A model of hP2Y14R based on recent hP2Y12R X-ray structures together with simulated antagonist docking suggested that the piperidine ring is suitable for fluorophore conjugation while preserving affinity. Chain-elongated alkynyl or amino derivatives of 6 for click or amide coupling were synthesized, and their antagonist activities were measured in hP2Y14R-expressing CHO cells. Moreover, a new Alexa Fluor 488 (AF488) containing derivative 30 (MRS4174, Ki = 80 pM) exhibited exceptionally high affinity, as compared to 13 nM for the alkyne precursor 22. A flow cytometry assay employing 30 as a fluorescent probe was used to quantify specific binding to P2Y14R. Known P2Y receptor ligands inhibited binding of 30 with properties consistent with their previously established receptor selectivities and affinities. These results illustrate that potency in this series of 2-naphthoic acid derivatives can be preserved by chain functionalization, leading to highly potent fluorescent molecular probes for P2Y14R. Such conjugates will be useful tools in expanding the SAR of this receptor, which still lacks chemical diversity in its collective ligands. This approach demonstrates the predictive power of GPCR homology modeling and the relevance of newly determined X-ray structures to GPCR medicinal chemistry. PMID:25299434

  9. Extraction of large-scale coherent structure from plasma turbulence using rake probe and wavelet analysis in a tokamak

    SciTech Connect

    Xu, G. S.; Wan, B. N.; Zhang, W.

    2006-06-15

    In fusion plasmas, intermittently occurring large-scale coherent structures in electrostatic turbulence sometimes contribute more than 50% of total transport, so the investigation on these coherent structures is important for understanding plasma confinement. New experimental techniques are required to extract these coherent structures from fluctuating signals. In this work a 12-tip poloidal rake probe was used on the HT-7 superconducting tokamak to measure plasma turbulence in the plasma edge region. Several signal analysis methods based on a biorthogonal wavelet were developed and applied to the probe data. Since the structure of the selected wavelet is every similar to that of the turbulence wave packet, information about large-scale coherent structures can be selectively extracted from the ambient turbulence. The spatiotemporal patterns of the large-scale coherent structures were reconstructed using the selected wavelets as well as those of small-scale details. These wavelet-based techniques can be applied to all kinds of plasma fluctuation diagnostics, so they possibly present a new opportunity for uncovering the mechanism underlying plasma turbulent transport.

  10. Electrical transport and mechanical properties of alkylsilane self-assembled monolayers on silicon surfaces probed by atomic force microscopy

    SciTech Connect

    Park, Jeong Young; Qi, Yabing; Ashby, Paul D.; Hendriksen, Bas L.M.; Salmeron, Miquel

    2009-02-06

    The correlation between molecular conductivity and mechanical properties (molecular deformation and frictional responses) of hexadecylsilane self-assembled monolayers was studied with conductive probe atomic force microscopy/friction force microscopy in ultrahigh vacuum. Current and friction were measured as a function of applied pressure, simultaneously, while imaging the topography of self-assembled monolayer molecule islands and silicon surfaces covered with a thin oxide layer. Friction images reveal lower friction over the molecules forming islands than over the bare silicon surface, indicating the lubricating functionality of alkylsilane molecules. By measuring the tunneling current change due to changing of the height of the molecular islands by tilting the molecules under pressure from the tip, we obtained an effective conductance decay constant ({beta}) of 0.52/{angstrom}.

  11. Probing the structure of metal-substituted molecular sieves by solid-state NMR

    SciTech Connect

    Labouriau, A.; Crawford, S.N.; Ott, K.; Earl, W.L.

    1998-08-01

    Paramagnetic metal ions exert large influences on the NMR spectra of neighboring nuclei. The authors are using these effects to probe metal sites in zeolites and AlPO{sub 4} molecular sieves. In particular, they are studying [Co]-AlPO{sub 4}-5 because similar cobalt substituted AlPO{sub 4} sieves are reported in the literature. They have extended that work to probe the titanium zeolite TS-1 by comparing spectra of normal TS-1 to samples where the titanium has been reduced to the paramagnetic Ti{sup 3+}. This promises to be a useful technique for determining framework substitution in many zeolite systems.

  12. Effect of processing on Polymer/Composite structure and properties

    NASA Technical Reports Server (NTRS)

    1982-01-01

    Advances in the vitality and economic health of the field of polymer forecasting are discussed. A consistent and rational point of view which considers processing as a participant in the underlying triad of relationships which comprise materials science and engineering is outlined. This triad includes processing as it influences material structure, and ultimately properties. Methods in processing structure properties, polymer science and engineering, polymer chemistry and synthesis, structure and modification and optimization through processing, and methods of melt flow modeling in processing structure property relations of polymer were developed. Mechanical properties of composites are considered, and biomedical materials research to include polymer processing effects are studied. An analysis of the design technology of advances graphite/epoxy composites is also reported.

  13. Relating Dynamic Properties to Atomic Structure in Metallic Glasses

    SciTech Connect

    Sheng, H.W.; Ma, E.; Kramer, Matthew J.

    2012-07-18

    Atomic packing in metallic glasses is not completely random but displays various degrees of structural ordering. While it is believed that local structures profoundly affect the properties of glasses, a fundamental understanding of the structure–property relationship has been lacking. In this article, we provide a microscopic picture to uncover the intricate interplay between structural defects and dynamic properties of metallic glasses, from the perspective of computational modeling. Computational methodologies for such realistic modeling are introduced. Exploiting the concept of quasi-equivalent cluster packing, we quantify the structural ordering of a prototype metallic glass during its formation process, with a new focus on geometric measures of subatomic “voids.” Atomic sites connected with the voids are found to be crucial in terms of understanding the dynamic, including vibrational and atomic transport, properties. Normal mode analysis is performed to reveal the structural origin of the anomalous boson peak (BP) in the vibration spectrum of the glass, and its correlation with atomic packing cavities. Through transition-state search on the energy landscape of the system, such structural disorder is found to be a facilitating factor for atomic diffusion, with diffusion energy barriers and diffusion pathways significantly varying with the degree of structural relaxation/ordering. The implications of structural defects for the mechanical properties of metallic glasses are also discussed.

  14. Probing Physical and Chemical Properties of Laser Shocked Materials using Ultrafast Dynamic Ellipsometry and Spectroscopies

    NASA Astrophysics Data System (ADS)

    Dang, Nhan

    2013-06-01

    Ultrafast laser techniques allow resolution of shock induced physics and chemistry picoseconds behind the shock front. In this presentation, the 350 ps sustained laser-generated shocks will be shown to combine with ultrafast dynamic ellipsometry to measure the shock state and transient absorption to measure the molecular electronic response to shock loading. Experimental data will be presented on shocked explosive crystals and liquids. Ultrafast dynamic ellipsometry was used to measure the shock and particle velocity as well as the shocked refractive index. Transient absorption spectra of RDX and simple molecular liquids in the spectral region from 440 to 780 nm were measured to map out shock reactivity during the first 350 ps, over shock stress states from 7 to 20 GPa. Additionally, nonlinear spectroscopic probes will be demonstrated to offer the potential to measure even more details of the molecular shock response, such as evolution of chemical species and vibrational temperature. Preliminary results of shocked phenylacetylene obtained using vibrational coherent anti-Stokes Raman spectroscopy (CARS) and the capability of femtosecond stimulated Raman scattering (FSRS) data to measure the nonequilibrium time evolution of mode specific vibrational temperatures on picosecond time scales will be discussed.

  15. Probing the topological properties of the Jackiw-Rebbi model with light

    PubMed Central

    Angelakis, Dimitris G.; Das, P.; Noh, C.

    2014-01-01

    The Jackiw-Rebbi model describes a one-dimensional Dirac field coupled to a soliton field and can be equivalently thought of as a model describing a Dirac field with a spatially dependent mass term. Neglecting the dynamics of the soliton field, a kink in the background soliton profile yields a topologically protected zero-energy mode for the field, which in turn leads to charge fractionalisation. We show here that the model, in the first quantised form, can be realised in a driven slow-light setup, where photons mimic the Dirac field and the soliton field can be implemented–and tuned–by adjusting optical parameters such as the atom-photon detuning. Furthermore, we discuss how the existence of the zero-mode and its topological stability can be probed naturally by studying the transmission spectrum. We conclude by analysing the robustness of our approach against possible experimental errors in engineering the Jackiw-Rebbi Hamiltonian in this optical setup. PMID:25130953

  16. Communication: Does force spectroscopy of biomolecules probe their intrinsic dynamic properties?

    SciTech Connect

    Makarov, Dmitrii E.

    2014-12-28

    In single-molecule pulling experiments, the molecule of interest is attached to a much larger object such as an atomic force microscope tip or a micrometer sized bead. The measured dynamics of molecular transitions is therefore affected by the hydrodynamic drag on the pulling instrument itself. By considering the transitions within the combined system (the molecule and the instrument), it is shown here that two distinct physical regimes exist: when the intrinsic stiffness of the molecule is greater than that of the linker connecting the molecule to the pulling setup then the pulling experiment probes the intrinsic dynamics of the molecule with only relatively small (and quantifiable) corrections resulting from the pulling setup. In contrast, when the stiffness of the linker exceeds that of the molecule, the molecular transition in question involves concerted motion of the molecule and the pulling setup and the hydrodynamic drag on the pulling instrument becomes the dominant source of friction along the molecular reaction coordinate. An analytical formula interpolating between these two cases is further derived. These results explain recent conflicting observations where some single-molecule pulling measurements report anomalously low diffusion coefficients along molecular reaction coordinates while others do not.

  17. Heavy metal phosphate nanophases in silica: influence of radiolysis probed via f-electron state properties

    SciTech Connect

    Beitz, James V. . E-mail: beitz@anl.gov; Williams, C.W.; Hong, K.-S.; Liu, G.K.

    2005-02-15

    We have assessed the feasibility of carrying out time- and wavelength-resolved laser-induced fluorescence measurements of radiation damage in glassy silica. The consequences of alpha decay of Es-253 in LaPO{sub 4} nanophases embedded in silica were probed based on excitation of 5f states of Cm{sup 3+}, Bk{sup 3+}, and Es{sup 3+} ions. The recorded emission spectra and luminescence decays showed that alpha decay of Es-253 ejected Bk-249 decay daughter ions into the surrounding silica and created radiation damage within the LaPO{sub 4} nanophases. This conclusion is consistent with predictions of an ion transport code commonly used to model ion implantation. Luminescence from the {sup 6}D{sub 7/2} state of Cm{sup 3+}was used as an internal standard. Ion-ion energy transfer dominated the dynamics of the observed emitting 5f states and strongly influenced the intensity of observed spectra. In appropriate sample materials, laser-induced fluorescence provides a powerful method for fundamental investigation of alpha-induced radiation damage in silica.

  18. Communication: Does force spectroscopy of biomolecules probe their intrinsic dynamic properties?

    NASA Astrophysics Data System (ADS)

    Makarov, Dmitrii E.

    2014-12-01

    In single-molecule pulling experiments, the molecule of interest is attached to a much larger object such as an atomic force microscope tip or a micrometer sized bead. The measured dynamics of molecular transitions is therefore affected by the hydrodynamic drag on the pulling instrument itself. By considering the transitions within the combined system (the molecule and the instrument), it is shown here that two distinct physical regimes exist: when the intrinsic stiffness of the molecule is greater than that of the linker connecting the molecule to the pulling setup then the pulling experiment probes the intrinsic dynamics of the molecule with only relatively small (and quantifiable) corrections resulting from the pulling setup. In contrast, when the stiffness of the linker exceeds that of the molecule, the molecular transition in question involves concerted motion of the molecule and the pulling setup and the hydrodynamic drag on the pulling instrument becomes the dominant source of friction along the molecular reaction coordinate. An analytical formula interpolating between these two cases is further derived. These results explain recent conflicting observations where some single-molecule pulling measurements report anomalously low diffusion coefficients along molecular reaction coordinates while others do not.

  19. Structural and electronic properties of sodium nanoclusters

    NASA Astrophysics Data System (ADS)

    Perez, Luis A.; Reyes-Nava, Juan A.; Garzon, Ignacio L.

    2006-03-01

    Recent advances on mass selection of sodium nanoclusters and their characterization by photoemission electron spectroscopy [1] have given useful data for a variety of clusters sizes. These data may lead to assignments of the relevant structures by comparing the measured photoelectron spectra (PES) with the electronic density of states (DOS) obtained from DFT calculations. In this work, the lowest energy structures modeled by the many-body Gupta potential, are obtained by using molecular dynamics simulations for Nan (n= 178, 204, 271, 298-300, 309). DFT calculations were then performed for neutral, positively- and negatively-charged Nan clusters. A comparison between the DOS of clusters of the same size but different charge will be presented, as well as between the available experimental PES and the theoretical obtained DOS.[1] H. Haberland, T. Hippler, J. Donges, O. Kostko, M. Schmidt, B. von Issendorff, Phys. Rev. Lett. 94, 035701 (2005).

  20. Advanced Magnetic Resonance Imaging techniques to probe muscle structure and function

    NASA Astrophysics Data System (ADS)

    Malis, Vadim

    Structural and functional Magnetic Resonance Imaging (MRI) studies of skeletal muscle allow the elucidation of muscle physiology under normal and pathological conditions. Continuing on the efforts of the Muscle Imaging and Modeling laboratory, the focus of the thesis is to (i) extend and refine two challenging imaging modalities: structural imaging using Diffusion Tensor Imaging (DTI) and functional imaging based on Velocity Encoded Phase Contrast Imaging (VE-PC) and (ii) apply these methods to explore age related structure and functional differences of the gastrocnemius muscle. Diffusion Tensor Imaging allows the study of tissue microstructure as well as muscle fiber architecture. The images, based on an ultrafast single shot Echo Planar Imaging (EPI) sequence, suffer from geometric distortions and low signal to noise ratio. A processing pipeline was developed to correct for distortions and to improve image Signal to Noise Ratio (SNR). DTI acquired on a senior and young cohort of subjects were processed through the pipeline and differences in DTI derived indices and fiber architecture between the two cohorts were explored. The DTI indices indicated that at the microstructural level, fiber atrophy was accompanied with a reduction in fiber volume fraction. At the fiber architecture level, fiber length and pennation angles decreased with age that potentially contribute to the loss of muscle force with age. Velocity Encoded Phase Contrast imaging provides tissue (e.g. muscle) velocity at each voxel which allows the study of strain and Strain Rate (SR) under dynamic conditions. The focus of the thesis was to extract 2D strain rate tensor maps from the velocity images and apply the method to study age related differences. The tensor mapping can potentially provide unique information on the extracellular matrix and lateral transmission the role of these two elements has recently emerged as important determinants of force loss with age. In the cross sectional study on

  1. Scanning Probe Microwave Reflectivity of Aligned Single-Walled Carbon Nanotubes: Imaging of Electronic Structure and Quantum Behavior at the Nanoscale.

    PubMed

    Seabron, Eric; MacLaren, Scott; Xie, Xu; Rotkin, Slava V; Rogers, John A; Wilson, William L

    2016-01-26

    Single-walled carbon nanotubes (SWNTs) are 1-dimensional nanomaterials with unique electronic properties that make them excellent candidates for next-generation device technologies. While nanotube growth and processing methods have progressed steadily, significant opportunities remain in advanced methods for their characterization, inspection, and metrology. Microwave near-field imaging offers an extremely versatile "nondestructive" tool for nanomaterials characterization. Herein, we report the application of nanoscale microwave reflectivity to study SWNT electronic properties. Using microwave impedance microscopy (MIM) combined with microwave impedance modulation microscopy (MIM(2)), we imaged horizontal SWNT arrays, showing the microwave reflectivity from individual nanotubes is extremely sensitive to their electronic properties and dependent on the nanotube quantum capacitance under proper experimental conditions. It is shown experimentally that MIM can be a direct probe of the nanotube-free carrier density and the details of their electronic band structure. We demonstrate spatial mapping of local SWNT impedance (MIM), the density of states (MIM(2)), and the nanotube structural morphology (AFM) simultaneously and with lateral resolution down to <50 nm. Nanoscale microwave reflectivity could have tremendous impact, enabling optimization of enriched growth processes and postgrowth purification of SWNT arrays while aiding in the analysis of the quantum physics of these important 1D materials. PMID:26688374

  2. Structure-property study of keto-ether polyimides

    NASA Technical Reports Server (NTRS)

    Dezern, James F.; Croall, Catharine I.

    1991-01-01

    As part of an on-going effort to develop an understanding of how changes in the chemical structure affect polymer properties, an empirical study was performed on polyimides containing only ether and/or carbonyl connecting groups in the polymer backbone. During the past two decades the structure-property relationships in linear aromatic polyimides have been extensively investigated. More recently, work has been performed to study the effect of isomeric attachment of keto-ether polyimides on properties such as glass transition temperature and solubility. However, little work has been reported on the relation of polyimide structure to mechanical properties. The purpose of this study was to determine the effect of structural changes in the backbone of keto-ether polyimides on their mechanical properties, specifically, unoriented thin film tensile properties. This study was conducted in two stages. The purpose of the initial stage was to examine the physical and mechanical properties of a representative group (four) of polyimide systems to determine the optimum solvent and cure cycle requirements. These optimum conditions were then utilized in the second stage to prepare films of keto-ether polyimides which were evaluated for mechanical and physical properties. All of the polyimides were prepared using isomers of oxydianiline (ODA) and diaminobenzophenone (DABP) in combination with 3,3',4,4'-benzophenonetetracarboxylic dianhydride (BTDA) and 4,4'-oxydiphthalic anhydride (ODPA).

  3. Structural properties of rare earth chalcogenides

    NASA Astrophysics Data System (ADS)

    Bhardwaj, Ramakant; Bhardwaj, Purvee; Singh, Sadhna

    2016-05-01

    The pressure induced NaCl (B1) to CsCl (B2) structural phase transition of rare earth mono-chalcogenide (PuTe) has been investigated in this paper. A modified interaction potential model (MIPM) (including the covalency effect) has been developed. Phase transition pressures are associated with a sudden collapse in volume. The phase transition pressures and associated volume collapses obtained from present potential model show a generally good agreement with available experimental data than others.

  4. Probing the electronic structure of graphene sheets with various thicknesses by scanning transmission X-ray microscopy

    SciTech Connect

    Bai, Lili; Liu, Jinyin; Zhao, Guanqi; Gao, Jing; Sun, Xuhui E-mail: jzhong@suda.edu.cn; Zhong, Jun E-mail: jzhong@suda.edu.cn

    2013-12-16

    The electronic structure of an aggregation of graphene sheets with various thicknesses was probed by scanning transmission X-ray microscopy. A uniform oxidation of the graphene sheets in the flat area was observed regardless of the thickness, while in the folded area the result could be strongly affected by the geometry. Moreover, thick parts of the aggregation showed strong angle-dependence to the incident X-ray, while thin parts showed less angle-dependence, which might be related to the surface wrinkles and ripples. The electronic structure differences due to the geometry and thickness suggest a complicated situation in the aggregation of graphene sheets.

  5. Structural, electrical and mechanical properties of selenium doped thallium based high-temperature superconductors

    NASA Astrophysics Data System (ADS)

    Cavdar, S.; Kol, N.; Koralay, H.; Ozturk, O.; Asikuzun, E.; Tasci, A. T.

    2016-01-01

    In this study, highly-refined chemical powders were synthesized by having them ready in appropriate stoichiometric proportions with conventional solid state reaction method so that they would produce the superconductor TlPb0.3Sr2Ca1-xSexCu2Oy (x = 0; 0.4; 0.6; 1.0). This study aims to understand effect of the selenium doping on the superconducting, structural and mechanical properties of the aforementioned superconducting material. The effect of the doping rates on the structural and electrical properties of the sample has been identified. Electrical characteristics of the TlPb0.3Sr2Ca1-xSexCu2Oy material were measured using standard four point probe method. Structural characteristics were examined with the powder X-ray diffractometer (XRD) and scanning electron microscope (SEM). Mechanical properties were analyzed with Vickers microhardness measurements on the sample surface. According to the results, it was observed that the reflection comes from the (00l) and parallel planes increased with Se doping. Particle size increases with increasing doping ratio. According to results of the mechanical measurements, all samples exhibit indentation size effect (ISE) behavior. Comparing the obtained results with theoretical studies, it was understood that Hays Kendall approach is the best method in determination of mechanical properties and analyzing microhardness of the materials.

  6. Structure and properties of detonation soot particles

    SciTech Connect

    MalKOV, I.Y.; Titiov, V.M.

    1996-05-01

    The influence of TNT/RDX (50/50) detonation parameters and conservation conditions of detonation products during their expansion in hermetic detonation chamber on structure and phase composition of the detonation carbon has been considered. Systematic studies made it possible to establish the real structure of detonation carbon depending on experimental conditions. It has been shown that both during explosion in a chamber and thermal annealing in vacuum the nanoparticles of diamond have the tendency to transform not into graphite particles, as was assumed earlier, but into onionlike structures of fullerene series, composed of closed concentric carbon shells, the so-called carbon onions. The nanometer carbon particles have been obtained which comprise a diamond nucleus surrounded by a graphite-like mantle composed of quasi-spherical carbon shells which are the intermediate products of annealing of nanodiamond. The influence of initial sizes of the diamond particles and temperature on the annealing of diamond has been studied. {copyright} {ital 1996 American Institute of Physics.}

  7. Using asteroseismology to probe the structure and evolution of the Galaxy

    NASA Astrophysics Data System (ADS)

    Stello, Dennis

    2015-08-01

    Recent space missions have transformed our ability to use asteroseismology on vast numbers of stars. This advance has opened up for exploration of the structure and evolution of the Galaxy using oscillating red giant stars as distant tracers of stellar populations including the halo, the bulge and the thin and thick disks. Asteroseismology provides a powerful way to obtain precise estimates of stellar bulk properties such as radius, mass, and age. The radius, and hence distance, places a star accurately in the Galaxy, the mass reveals the mass function and, in combination with composition, provide ages for red giants. Initial results from the CoRoT and Kepler missions have demonstrated the enormous potential there is in the marriage between asteroseismology and contemporary Galactic Archaeology based on single-epoch spectroscopy, photometry, and parallax measurements. The scope for this research received a significant boost last year on several fronts. The re-purposed Kepler telescope, K2, started observing tens of thousands of red giants along the ecliptic covering all main constituents of the Galaxy, and in a few years time NASA's TESS mission will stars observing up to 1 mio red giants full sky. Finally, ESA's decision to fund PLATO guaranties that high quality seismic measurements will continue to flow beyond the nextdecade. In this talk I will give an overview of how seismology can aid the study of the structure and evolution of the Galaxy. I will include the most recent results that we have obtained with our K2 Galactic Archaeology Program.

  8. Relationships between structure and rheology in polymer nanocomposites probed via X-ray scattering

    NASA Astrophysics Data System (ADS)

    Pujari, Saswati

    Polymer nanocomposites have received intense attention due to their potential for significantly enhanced polymer properties like mechanical strength, thermal stability, electrical conductivity, etc. Melt state processing of these materials exposes the nanofillers to complex flow fields, which can induce changes in nanocomposite microstructure, including particle dispersion and the orientation of anisotropic nanoparticles in the polymer matrix. Since nanocomposite properties are strongly correlated with both these structural features, it is essential to develop methods to characterize such microstructural changes. This thesis reports extensive measurements of mechanical rheology and particle orientation during flow of nanocomposites based on multi-walled carbon nanotubes, clays, and graphene nanosheets. Changes in orientation of anisotropic nanoparticles are manifested in x-ray scattering images collected during shear. In-situ studies of orientation are enabled by custom designed x-ray adapted shear cells and high energy synchrotron radiation at the Advanced Photon Source in Argonne National Laboratory where these experiments were conducted. Studies of flow induced orientation in model nanotube dispersions revealed increasing sample anisotropy with increasing shear rate across concentrations and aspect ratios. In dilute dispersions the orientation dynamics was dominated by flow induced aggregation/disaggregation of MWNTs, with anisotropy primarily attributed to individually dispersed nanotubes. In concentrated suspensions, sample anisotropy resulted from flow induced elastic deformation within entangled MWNT clusters. Release of elastic energy upon flow cessation resulted in an unexpected relaxation of induced anisotropy. These studies were followed with study of more complex, but, industrially relevant nanocomposites made with polypropylene as the dispersing matrix. The high viscosity of polypropylene makes dispersion of nanoparticles difficult, and hence a careful

  9. Starch: Structure, Properties, Chemistry, and Enzymology

    NASA Astrophysics Data System (ADS)

    Robyt, John F.

    Starch is a very important and widely distributed natural product, occurring in the leaves of green plants, seeds, fruits, stems, roots, and tubers. It serves as the chemical storage form of the energy of the sun and is the primary source of energy for the organisms on the Earth. Starch is composed of two kinds of polysaccharides, amylose and amylopectin, exclusively composed of D-glucose residues with α-(1→4) linkages in a linear amylose and α-(1→4) linkages and ˜5% α-(1→6) branch linkages in amylopectin, both combined in a water-insoluble granule that is partially crystalline and whose size, shape, and morphology are dependent on its biological source. The properties, isolation, fractionation, enzymatic degradation, biosynthesis, chemical modification, and specific methods of analysis of starch are presented.

  10. Determining the Mechanical Properties of Lattice Block Structures

    NASA Technical Reports Server (NTRS)

    Wilmoth, Nathan

    2013-01-01

    Lattice block structures and shape memory alloys possess several traits ideal for solving intriguing new engineering problems in industries such as aerospace, military, and transportation. Recent testing at the NASA Glenn Research Center has investigated the material properties of lattice block structures cast from a conventional aerospace titanium alloy as well as lattice block structures cast from nickel-titanium shape memory alloy. The lattice block structures for both materials were sectioned into smaller subelements for tension and compression testing. The results from the cast conventional titanium material showed that the expected mechanical properties were maintained. The shape memory alloy material was found to be extremely brittle from the casting process and only compression testing was completed. Future shape memory alloy lattice block structures will utilize an adjusted material composition that will provide a better quality casting. The testing effort resulted in baseline mechanical property data from the conventional titanium material for comparison to shape memory alloy materials once suitable castings are available.

  11. Structure -- Magnetic Property Correlations in TiO 2 Nanotube Arrays

    NASA Astrophysics Data System (ADS)

    Mohammad Hosseinpour, Pegah

    TiO2 nanotube arrays are promising candidates for applications such as photocatalysis and for potential employment in spin-electronic (spintronic) devices. The functionality of TiO2-based nanotubes is highly dependent on their structure (microstructure and crystallographic symmetry) and magnetic properties. Unified understanding of the influence of these factors on the electronic structure of TiO2 is of paramount importance towards engineering these materials. This Dissertation aims at investigating the correlations of the morphology, crystallinity, crystal structure, electronic structure and magnetic properties of TiO2 nanotubes, with potential relevance to their functionality. Self-ordered arrays of amorphous TiO2 nanotubes (pure and Fe-doped with cationic concentration of ~2.1 at%) were synthesized by the electrochemical anodization technique, followed by subjecting them to thermal treatments up to 450 °C to crystallize these nanostructures. A variety of probes---morphological, structural, magnetic and spectroscopic---were used to characterize the properties of these nanostructures as functions of their processing conditions and the dopant content. Structure-functionality relationships in these nanostructures were verified by examining the photodegradation rate of methyl orange (a model water pollutant) in presence of TiO2 nanotubes under UV-Visible light irradiation. Results from this Dissertation research demonstrated that post-synthesis processing conditions---specifically, the nature of the annealing environment, as well as the presence of an external dopant, can alter the crystal structure and local electronic environment in TiO2 nanotubes, with subsequent effects on the magnetic properties of these nanostructures. The fundamental knowledge obtained in this research, on the interrelations of structural-magnetic properties and their potential influence on the functionality of TiO 2-based nanotubes, can be extended to the metal oxide semiconducting systems

  12. Probing the Detailed Seismic Velocity Structure of Subduction Zones Using Advanced Seismic Tomography Methods

    NASA Astrophysics Data System (ADS)

    Zhang, H.; Thurber, C. H.

    2005-12-01

    Subduction zones are one of the most important components of the Earth's plate tectonic system. Knowing the detailed seismic velocity structure within and around subducting slabs is vital to understand the constitution of the slab, the cause of intermediate depth earthquakes inside the slab, the fluid distribution and recycling, and tremor occurrence [Hacker et al., 2001; Obara, 2002].Thanks to the ability of double-difference tomography [Zhang and Thurber, 2003] to resolve the fine-scale structure near the source region and the favorable seismicity distribution inside many subducting slabs, it is now possible to characterize the fine details of the velocity structure and earthquake locations inside the slab, as shown in the study of the Japan subduction zone [Zhang et al., 2004]. We further develop the double-difference tomography method in two aspects: the first improvement is to use an adaptive inversion mesh rather than a regular inversion grid and the second improvement is to determine a reliable Vp/Vs structure using various strategies rather than directly from Vp and Vs [see our abstract ``Strategies to solve for a better Vp/Vs model using P and S arrival time'' at Session T29]. The adaptive mesh seismic tomography method is based on tetrahedral diagrams and can automatically adjust the inversion mesh according to the ray distribution so that the inversion mesh nodes are denser where there are more rays and vice versa [Zhang and Thurber, 2005]. As a result, the number of inversion mesh nodes is greatly reduced compared to a regular inversion grid with comparable spatial resolution, and the tomographic system is more stable and better conditioned. This improvement is quite valuable for characterizing the fine structure of the subduction zone considering the highly uneven distribution of earthquakes within and around the subducting slab. The second improvement, to determine a reliable Vp/Vs model, lies in jointly inverting Vp, Vs, and Vp/Vs using P, S, and S

  13. Micro-X-ray absorption near edge structure as a suitable probe to monitor live organisms

    NASA Astrophysics Data System (ADS)

    Oger, Phil M.; Daniel, I.; Simionovici, A.; Picard, A.

    2008-04-01

    X-ray spectroscopies are very powerful tools to determine the chemistry of complex dilute solutes in abiotic and biotic systems. We have assayed their suitability to monitor the chemistry of complex solutions in a live biotic system. The impact of the probe on cells was quantified for 4 different cellular organisms differing in their resistance level to environmental stresses. We show that none of the organisms tested can survive the radiation doses needed for the acquisition of meaningful spectroscopic data. Therefore, on one hand, X-ray spectroscopy cannot be applied to the monitoring of single cells, and cellular damages have to be taken into account in the interpretation of the evolution of such systems. On the other hand, due to the limited extension of X-ray induced cellular damages in the culture volume, it is possible to probe a population of live cells provided that the culture to beam probe ratio is large enough to minimize the impact of mortality on the evolution of the biological system. Our results suggest that it could be possible to probe the volume in the close vicinity of a cell without affecting its activity. Using this setup we could monitor the reduction of selenite by the X-ray sensitive bacterium, Agrobacterium tumefaciens strain C58, for 24 h. This method has a great potential to monitor the respiration of various metals, such as iron, manganese and arsenic, in situ under relevant environmental conditions by live microorganisms.

  14. Structural insights into the modulation of the redox properties of two Geobacter sulfurreducens homologous triheme cytochromes.

    SciTech Connect

    Morgado, L.; Bruix, M.; Orshonsky, V.; Londer, Y. Y.; Duke, N. E. C.; Yang, X.; Pokkuluri, P. R.; Schiffer, M.; Salgueiro, C. A.; Biosciences Division; Univ. Nova de Lisboa; Insti. de Quimica-Fisica

    2008-09-01

    The redox properties of a periplasmic triheme cytochrome, PpcB from Geobacter sulfurreducens, were studied by NMR and visible spectroscopy. The structure of PpcB was determined by X-ray diffraction. PpcB is homologous to PpcA (77% sequence identity), which mediates cytoplasmic electron transfer to extracellular acceptors and is crucial in the bioenergetic metabolism of Geobacter spp. The heme core structure of PpcB in solution, probed by 2D-NMR, was compared to that of PpcA. The results showed that the heme core structures of PpcB and PpcA in solution are similar, in contrast to their crystal structures where the heme cores of the two proteins differ from each other. NMR redox titrations were carried out for both proteins and the order of oxidation of the heme groups was determined. The microscopic properties of PpcB and PpcA redox centers showed important differences: (1) the order in which hemes become oxidized is III-I-IV for PpcB, as opposed to I-IV-III for PpcA; (2) the redox-Bohr effect is also different in the two proteins. The different redox features observed between PpcB and PpcA suggest that each protein uniquely modulates the properties of their co-factors to assure effectiveness in their respective metabolic pathways. The origins of the observed differences are discussed.

  15. Structurally-driven Enhancement of Thermoelectric Properties within Poly(3,4-ethylenedioxythiophene) thin Films

    NASA Astrophysics Data System (ADS)

    Petsagkourakis, Ioannis; Pavlopoulou, Eleni; Portale, Giuseppe; Kuropatwa, Bryan A.; Dilhaire, Stefan; Fleury, Guillaume; Hadziioannou, Georges

    2016-07-01

    Due to the rising need for clean energy, thermoelectricity has raised as a potential alternative to reduce dependence on fossil fuels. Specifically, thermoelectric devices based on polymers could offer an efficient path for near-room temperature energy harvesters. Thus, control over thermoelectric properties of conducting polymers is crucial and, herein, the structural, electrical and thermoelectric properties of poly(3,4-ethylenedioxythiophene) (PEDOT) thin films doped with p-toluenesulfonate (Tos) molecules were investigated with regards to thin film processing. PEDOT:Tos thin films were prepared by in-situ polymerization of (3,4-ethylenedioxythiophene) monomers in presence of iron(III) p-toluenesulfonate with different co-solvents in order to tune the film structure. While the Seebeck coefficient remained constant, a large improvement in the electrical conductivity was observed for thin films processed with high boiling point additives. The increase of electrical conductivity was found to be solely in-plane mobility-driven. Probing the thin film structure by Grazing Incidence Wide Angle X-ray Scattering has shown that this behavior is dictated by the structural properties of the PEDOT:Tos films; specifically by the thin film crystallinity combined to the preferential edge-on orientation of the PEDOT crystallites. Consequentially enhancement of the power factor from 25 to 78.5 μW/mK2 has been readily obtained for PEDOT:Tos thin films following this methodology.

  16. Structurally-driven Enhancement of Thermoelectric Properties within Poly(3,4-ethylenedioxythiophene) thin Films

    PubMed Central

    Petsagkourakis, Ioannis; Pavlopoulou, Eleni; Portale, Giuseppe; Kuropatwa, Bryan A.; Dilhaire, Stefan; Fleury, Guillaume; Hadziioannou, Georges

    2016-01-01

    Due to the rising need for clean energy, thermoelectricity has raised as a potential alternative to reduce dependence on fossil fuels. Specifically, thermoelectric devices based on polymers could offer an efficient path for near-room temperature energy harvesters. Thus, control over thermoelectric properties of conducting polymers is crucial and, herein, the structural, electrical and thermoelectric properties of poly(3,4-ethylenedioxythiophene) (PEDOT) thin films doped with p-toluenesulfonate (Tos) molecules were investigated with regards to thin film processing. PEDOT:Tos thin films were prepared by in-situ polymerization of (3,4-ethylenedioxythiophene) monomers in presence of iron(III) p-toluenesulfonate with different co-solvents in order to tune the film structure. While the Seebeck coefficient remained constant, a large improvement in the electrical conductivity was observed for thin films processed with high boiling point additives. The increase of electrical conductivity was found to be solely in-plane mobility-driven. Probing the thin film structure by Grazing Incidence Wide Angle X-ray Scattering has shown that this behavior is dictated by the structural properties of the PEDOT:Tos films; specifically by the thin film crystallinity combined to the preferential edge-on orientation of the PEDOT crystallites. Consequentially enhancement of the power factor from 25 to 78.5 μW/mK2 has been readily obtained for PEDOT:Tos thin films following this methodology. PMID:27470637

  17. Surface structure and electronic properties of materials

    NASA Technical Reports Server (NTRS)

    Siekhaus, W. J.; Somorjai, G. A.

    1975-01-01

    A surface potential model is developed to explain dopant effects on chemical vapor deposition. Auger analysis of the interaction between allotropic forms of carbon and silicon films has shown Si-C formation for all forms by glassy carbon. LEED intensity measurements have been used to determine the mean square displacement of surface atoms of silicon single crystals, and electron loss spectroscopy has shown the effect of structure and impurities on surface states located within the band gap. A thin film of Al has been used to enhance film crystallinity at low temperature.

  18. Doped and undoped graphene platforms: the influence of structural properties on the detection of polyphenols.

    PubMed

    Chng, Chu'Er; Sofer, Zdenek; Pumera, Martin; Bonanni, Alessandra

    2016-01-01

    There is a huge interest in doped graphene and how doping can tune the material properties for the specific application. It was recently demonstrated that the effect of doping can have different influence on the electrochemical detection of electroactive probes, depending on the analysed probe, on the structural characteristics of the graphene materials and on the type and amount of heteroatom used for the doping. In this work we wanted to investigate the effect of doping on graphene materials used as platform for the detection of catechin, a standard probe which is commonly used for the measurement of polyphenols in food and beverages. To this aim we compared undoped graphene with boron-doped graphene and nitrogen doped graphene platforms for the electrochemical detection of standard catechin oxidation. Finally, the material providing the best electrochemical performance was employed for the analysis of real samples. We found that the undoped graphene, possessing lower amount of oxygen functionalities, higher density of defects and larger electroactive surface area provided the best electroanalytical performance for the determination of catechin in commercial beer samples. Our findings are important for the development of novel graphene platforms for the electrochemical assessment of food quality. PMID:26861507

  19. Doped and undoped graphene platforms: the influence of structural properties on the detection of polyphenols

    PubMed Central

    Chng, Chu’Er; Sofer, Zdenek; Pumera, Martin; Bonanni, Alessandra

    2016-01-01

    There is a huge interest in doped graphene and how doping can tune the material properties for the specific application. It was recently demonstrated that the effect of doping can have different influence on the electrochemical detection of electroactive probes, depending on the analysed probe, on the structural characteristics of the graphene materials and on the type and amount of heteroatom used for the doping. In this work we wanted to investigate the effect of doping on graphene materials used as platform for the detection of catechin, a standard probe which is commonly used for the measurement of polyphenols in food and beverages. To this aim we compared undoped graphene with boron-doped graphene and nitrogen doped graphene platforms for the electrochemical detection of standard catechin oxidation. Finally, the material providing the best electrochemical performance was employed for the analysis of real samples. We found that the undoped graphene, possessing lower amount of oxygen functionalities, higher density of defects and larger electroactive surface area provided the best electroanalytical performance for the determination of catechin in commercial beer samples. Our findings are important for the development of novel graphene platforms for the electrochemical assessment of food quality. PMID:26861507

  20. Doped and undoped graphene platforms: the influence of structural properties on the detection of polyphenols

    NASA Astrophysics Data System (ADS)

    Chng, Chu'Er; Sofer, Zdenek; Pumera, Martin; Bonanni, Alessandra

    2016-02-01

    There is a huge interest in doped graphene and how doping can tune the material properties for the specific application. It was recently demonstrated that the effect of doping can have different influence on the electrochemical detection of electroactive probes, depending on the analysed probe, on the structural characteristics of the graphene materials and on the type and amount of heteroatom used for the doping. In this work we wanted to investigate the effect of doping on graphene materials used as platform for the detection of catechin, a standard probe which is commonly used for the measurement of polyphenols in food and beverages. To this aim we compared undoped graphene with boron-doped graphene and nitrogen doped graphene platforms for the electrochemical detection of standard catechin oxidation. Finally, the material providing the best electrochemical performance was employed for the analysis of real samples. We found that the undoped graphene, possessing lower amount of oxygen functionalities, higher density of defects and larger electroactive surface area provided the best electroanalytical performance for the determination of catechin in commercial beer samples. Our findings are important for the development of novel graphene platforms for the electrochemical assessment of food quality.