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Sample records for intercalator displacement-based discovery

  1. Intercalated clay catalysts

    SciTech Connect

    Pinnavaia, T.J.

    1983-04-22

    Recent advances in the intercalation of metal complex cations in smectite clay minerals are leading to the development of new classes of selective heterogeneous catalysts. The selectivity of both metal-catalyzed and proton-catalyzed chemical conversions in clay intercalates can often be regulated by controlling surface chemical equilibria, interlamellar swelling, or reactant pair proximity in the interlayer regions. Also, the intercalation of polynuclear hydroxy metal cations and metal cluster cations in smectites affords new pillared clay catalysts with pore sizes that can be made larger than those of conventional zeolite catalysts.

  2. Intercalated Clay Catalysts

    NASA Astrophysics Data System (ADS)

    Pinnavaia, Thomas J.

    1983-04-01

    Recent advances in the intercalation of metal complex cations in smectite clay minerals are leading to the development of new classes of selective heterogeneous catalysts. The selectivity of both metal-catalyzed and proton-catalyzed chemical conversions in clay intercalates can often be regulated by controlling surface chemical equilibria, interlamellar swelling, or reactant pair proximity in the interlayer regions. Also, the intercalation of polynuclear hydroxy metal cations and metal cluster cations in smectites affords new pillared clay catalysts with pore sizes that can be made larger than those of conventional zeolite catalysts.

  3. Superconductivity in graphite intercalation compounds

    DOE PAGESBeta

    Smith, Robert P.; Weller, Thomas E.; Howard, Christopher A.; Dean, Mark P. M.; Rahnejat, Kaveh C.; Saxena, Siddharth S.; Ellerby, Mark

    2015-02-26

    This study examines the field of superconductivity in the class of materials known as graphite intercalation compounds which has a history dating back to the 1960s. This paper recontextualizes the field in light of the discovery of superconductivity in CaC₆ and YbC₆ in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how this relates to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic statesmore » and phonon modes are most important for superconductivity and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.« less

  4. Superconductivity in graphite intercalation compounds

    SciTech Connect

    Smith, Robert P.; Weller, Thomas E.; Howard, Christopher A.; Dean, Mark P. M.; Rahnejat, Kaveh C.; Saxena, Siddharth S.; Ellerby, Mark

    2015-02-26

    This study examines the field of superconductivity in the class of materials known as graphite intercalation compounds which has a history dating back to the 1960s. This paper recontextualizes the field in light of the discovery of superconductivity in CaC₆ and YbC₆ in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how this relates to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.

  5. Intercalated graphite electrical conductors

    NASA Technical Reports Server (NTRS)

    Banks, B. A.

    1983-01-01

    For years NASA has wanted to reduce the weight of spacecraft and aircraft. Experiments are conducted to find a lightweight synthetic metal to replace copper. The subject of this paper, intercalated graphite, is such a material. Intercalated graphite is made by heating petroleum or coal to remove the hydrogen and to form more covalent bonds, thus increasing the molecular weight. The coal or petroleum eventually turns to pitch, which can then be drawn into a fiber. With continued heating the pitch-based fiber releases hydrogen and forms a carbon fiber. The carbon fiber, if heated sufficiently, becomes more organized in parallel layers of hexagonally arranged carbon atoms in the form of graphite. A conductor of intercalated graphite is potentially useful for spacecraft or aircraft applications because of its low weight.

  6. Measurement of chest wall displacement based on terahertz wave

    NASA Astrophysics Data System (ADS)

    Li, Hui; Lv, Hao; Jiao, Teng; Lu, Guohua; Li, Sheng; Li, Zhao; Liu, Miao; Jing, Xijing; Wang, Jianqi

    2015-02-01

    Measurement of chest wall displacement is an important approach for measuring mechanics of chest wall, which has considerable significance for assessing respiratory system and diagnosing pulmonary diseases. However, existing optical methods for measuring chest wall displacement are inconvenient for some specific patients such as the female patients and the patients with bandaged chest. In this letter, we proposed a method for measuring chest wall displacement based on terahertz wave and established corresponding mathematic model and set up a terahertz measurement system. The main advantages of this method are that it can measure the chest wall displacement of the subjects without taking off clothes or arranging any markers. To validate this method and assess the performance of the terahertz system, in vitro, the displacement of a water module driven by a linear guide rail was measured by the terahertz system and compared with the actual displacement of the water module. The results showed that the waveforms measured with two methods have a good agreement, and the relative error is less than 5% and sufficiently good for measurement demands. In vivo, the synchronous experiment was performed on five human volunteers with the terahertz system and a respiratory belt transducer. The results demonstrate that this method has good performance and promising prospects for measuring chest wall displacement.

  7. Graphite fiber intercalation: Dynamics of the bromine intercalation process

    NASA Technical Reports Server (NTRS)

    Jaworske, D. A.; Zinolabedini, R.

    1985-01-01

    The resistance of pitch-based graphite fibers was monitored, in situ, during a series of bromine intercalation experiments. The threshold pressure for the bromine intercalation of pitch-based fibers was estimated to be 102 torr. When the bromine atmosphere was removed from the reaction chamber, the resistivity of the intercalated graphite fibers increased consistently. This increase was attributed to loss of bromine from the perimeter of the fiber. The loss was confirmed by mapping the bromine concentration across the diameter of single intercalated fibers with either energy dispersive spectroscopy or scanning Auger microscopy. A statistical study comparing fibers intercalated in bromine vapor with fibers intercalated in bromine liquid showed that similar products were obtained with both methods of intercalation.

  8. Efficiency Improvements to the Displacement Based Multilevel Structural Optimization Algorithm

    NASA Technical Reports Server (NTRS)

    Plunkett, C. L.; Striz, A. G.; Sobieszczanski-Sobieski, J.

    2001-01-01

    Multilevel Structural Optimization (MSO) continues to be an area of research interest in engineering optimization. In the present project, the weight optimization of beams and trusses using Displacement based Multilevel Structural Optimization (DMSO), a member of the MSO set of methodologies, is investigated. In the DMSO approach, the optimization task is subdivided into a single system and multiple subsystems level optimizations. The system level optimization minimizes the load unbalance resulting from the use of displacement functions to approximate the structural displacements. The function coefficients are then the design variables. Alternately, the system level optimization can be solved using the displacements themselves as design variables, as was shown in previous research. Both approaches ensure that the calculated loads match the applied loads. In the subsystems level, the weight of the structure is minimized using the element dimensions as design variables. The approach is expected to be very efficient for large structures, since parallel computing can be utilized in the different levels of the problem. In this paper, the method is applied to a one-dimensional beam and a large three-dimensional truss. The beam was tested to study possible simplifications to the system level optimization. In previous research, polynomials were used to approximate the global nodal displacements. The number of coefficients of the polynomials equally matched the number of degrees of freedom of the problem. Here it was desired to see if it is possible to only match a subset of the degrees of freedom in the system level. This would lead to a simplification of the system level, with a resulting increase in overall efficiency. However, the methods tested for this type of system level simplification did not yield positive results. The large truss was utilized to test further improvements in the efficiency of DMSO. In previous work, parallel processing was applied to the

  9. Density of intercalated graphite fibers

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Slabe, Melissa E.

    1990-01-01

    The density of Amoco P-55, P-75, P-100, and P-120 pitch-based graphite fibers and their intercalation compounds with bromine, iodine monochloride, and copper (II) chloride have been measured using a density gradient column. The distribution of densities within a fiber type is found to be a sensitive indicator of the quality of the intercalation reaction. In all cases the density was found to increase, indicating that the mass added to the graphite is dominant over fiber expansion. Density increases are small (less than 10 percent) giving credence to a model of the intercalated graphite fibers which have regions which are intercalated and regions which are not.

  10. Density of intercalated graphite fibers

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Slabe, Melissa E.

    1989-01-01

    The density of Amoco P-55, P-75, P-100, and P-120 pitch-based graphite fibers and their intercalation compounds with bromine, iodine monochloride, and copper (II) chloride have been measured using a density gradient column. The distribution of densities within a fiber type is found to be a sensitive indicator of the quality of the intercalation reaction. In all cases the density was found to increase, indicating that the mass added to the graphite is dominant over fiber expansion. Density increases are small (less than 10 percent) giving credence to a model of the intercalated graphite fibers which have regions which are intercalated and regions which are not.

  11. Durability of Intercalated Graphite Epoxy Composites in Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Davidson, Michelle L.; Shively, Rhonda

    1996-01-01

    The electrical conductivity of graphite epoxy composites can be substantially increased by intercalating (inserting guest atoms or molecules between the graphene planes) the graphite fibers before composite formation. The resulting high strength, low density, electrically conducting composites have been proposed for EMI shielding in spacecraft. Questions have been raised, however, about their durability in the space environment, especially with respect to outgassing of the intercalates, which are corrosive species such as bromine. To answer those concerns, six samples of bromine intercalated graphite epoxy composites were included in the third Evaluation of Oxygen Interaction with Materials (EOIM-3) experiment flown on the Space Shuttle Discovery (STS-46). Changes in electrical conductivity, optical reflectance, surface texture, and mass loss for SiO2 protected and unprotected samples were measured after being exposed to the LEO environment for 42 hours. SiO2 protected samples showed no degradation, verifying conventional protection strategies are applicable to bromine intercalated composites. The unprotected samples showed that bromine intercalation does not alter the degradation of graphite-epoxy composites. No bromine was detected to have been released by the fibers allaying fears that outgassing could be disruptive to the sensitive electronics the EMI shield is meant to protect.

  12. Superconductivity in alkali metal intercalated iron selenides.

    PubMed

    Krzton-Maziopa, A; Svitlyk, V; Pomjakushina, E; Puzniak, R; Conder, K

    2016-07-27

    Alkali metal intercalated iron selenide superconductors A x Fe2-y Se2 (where A  =  K, Rb, Cs, Tl/K, and Tl/Rb) are characterized by several unique properties, which were not revealed in other superconducting materials. The compounds crystallize in overall simple layered structure with FeSe layers intercalated with alkali metal. The structure turned out to be pretty complex as the existing Fe-vacancies order below ~550 K, which further leads to an antiferromagnetic ordering with Néel temperature fairly above room temperature. At even lower temperatures a phase separation is observed. While one of these phases stays magnetic down to the lowest temperatures the second is becoming superconducting below ~30 K. All these effects give rise to complex relationships between the structure, magnetism and superconductivity. In particular the iron vacancy ordering, linked with a long-range magnetic order and a mesoscopic phase separation, is assumed to be an intrinsic property of the system. Since the discovery of superconductivity in those compounds in 2010 they were investigated very extensively. Results of the studies conducted using a variety of experimental techniques and performed during the last five years were published in hundreds of reports. The present paper reviews scientific work concerning methods of synthesis and crystal growth, structural and superconducting properties as well as pressure investigations. PMID:27248118

  13. Superconductivity in alkali metal intercalated iron selenides.

    PubMed

    Krzton-Maziopa, A; Svitlyk, V; Pomjakushina, E; Puzniak, R; Conder, K

    2016-07-27

    Alkali metal intercalated iron selenide superconductors A x Fe2-y Se2 (where A  =  K, Rb, Cs, Tl/K, and Tl/Rb) are characterized by several unique properties, which were not revealed in other superconducting materials. The compounds crystallize in overall simple layered structure with FeSe layers intercalated with alkali metal. The structure turned out to be pretty complex as the existing Fe-vacancies order below ~550 K, which further leads to an antiferromagnetic ordering with Néel temperature fairly above room temperature. At even lower temperatures a phase separation is observed. While one of these phases stays magnetic down to the lowest temperatures the second is becoming superconducting below ~30 K. All these effects give rise to complex relationships between the structure, magnetism and superconductivity. In particular the iron vacancy ordering, linked with a long-range magnetic order and a mesoscopic phase separation, is assumed to be an intrinsic property of the system. Since the discovery of superconductivity in those compounds in 2010 they were investigated very extensively. Results of the studies conducted using a variety of experimental techniques and performed during the last five years were published in hundreds of reports. The present paper reviews scientific work concerning methods of synthesis and crystal growth, structural and superconducting properties as well as pressure investigations.

  14. Superconductivity in alkali metal intercalated iron selenides

    NASA Astrophysics Data System (ADS)

    Krzton-Maziopa, A.; Svitlyk, V.; Pomjakushina, E.; Puzniak, R.; Conder, K.

    2016-07-01

    Alkali metal intercalated iron selenide superconductors A x Fe2-y Se2 (where A  =  K, Rb, Cs, Tl/K, and Tl/Rb) are characterized by several unique properties, which were not revealed in other superconducting materials. The compounds crystallize in overall simple layered structure with FeSe layers intercalated with alkali metal. The structure turned out to be pretty complex as the existing Fe-vacancies order below ~550 K, which further leads to an antiferromagnetic ordering with Néel temperature fairly above room temperature. At even lower temperatures a phase separation is observed. While one of these phases stays magnetic down to the lowest temperatures the second is becoming superconducting below ~30 K. All these effects give rise to complex relationships between the structure, magnetism and superconductivity. In particular the iron vacancy ordering, linked with a long-range magnetic order and a mesoscopic phase separation, is assumed to be an intrinsic property of the system. Since the discovery of superconductivity in those compounds in 2010 they were investigated very extensively. Results of the studies conducted using a variety of experimental techniques and performed during the last five years were published in hundreds of reports. The present paper reviews scientific work concerning methods of synthesis and crystal growth, structural and superconducting properties as well as pressure investigations.

  15. Superconductivity in alkali metal intercalated iron selenides

    NASA Astrophysics Data System (ADS)

    Krzton-Maziopa, A.; Svitlyk, V.; Pomjakushina, E.; Puzniak, R.; Conder, K.

    2016-07-01

    Alkali metal intercalated iron selenide superconductors A x Fe2‑y Se2 (where A  =  K, Rb, Cs, Tl/K, and Tl/Rb) are characterized by several unique properties, which were not revealed in other superconducting materials. The compounds crystallize in overall simple layered structure with FeSe layers intercalated with alkali metal. The structure turned out to be pretty complex as the existing Fe-vacancies order below ~550 K, which further leads to an antiferromagnetic ordering with Néel temperature fairly above room temperature. At even lower temperatures a phase separation is observed. While one of these phases stays magnetic down to the lowest temperatures the second is becoming superconducting below ~30 K. All these effects give rise to complex relationships between the structure, magnetism and superconductivity. In particular the iron vacancy ordering, linked with a long-range magnetic order and a mesoscopic phase separation, is assumed to be an intrinsic property of the system. Since the discovery of superconductivity in those compounds in 2010 they were investigated very extensively. Results of the studies conducted using a variety of experimental techniques and performed during the last five years were published in hundreds of reports. The present paper reviews scientific work concerning methods of synthesis and crystal growth, structural and superconducting properties as well as pressure investigations.

  16. Dual intercalating molten electrolyte batteries

    SciTech Connect

    Carlin, R.T.; De Long, H.C.; Fuller, J.; Trulove, P.C. . Frank J. Seiler Research Lab.)

    1994-07-01

    The reductive and oxidative intercalation of ions into graphite from room-temperature and low temperature molten salts is demonstrated. For this investigation, the molten salts use 1-ethyl-3-methylimidazolium (EMI[sup +]) or 1,2-dimethyl-3-propylimidazolium (DMPI[sup +]) as the cation and AlCl[sup [minus

  17. Intercalation of cyclic ketones into vanadyl phosphate

    SciTech Connect

    Zima, Vitezslav . E-mail: vitezslav.zima@upce.cz; Melanova, Klara; Benes, Ludvik; Trchova, Miroslava; Dybal, Jiri

    2005-01-15

    Intercalation compounds of vanadyl phosphate with cyclic ketones (cyclopentanone, cyclohexanone, 4-methylcyclohexanone, and 1,4-cyclohexanedione) were prepared from corresponding propanol or ethanol intercalates by a molecular exchange. The intercalates prepared were characterized using powder X-ray diffraction and thermogravimetric analysis. The intercalates are stable in dry environment and decompose slowly in humid air. Infrared and Raman spectra indicate that carbonyl oxygens of the guest molecules are coordinated to the vanadium atoms of the host layers. The local structure and interactions in the cyclopentanone intercalate have been suggested on the basis of quantum chemical calculations.

  18. Graphite fiber intercalation: Basic properties of copper chloride intercalated fibers

    NASA Technical Reports Server (NTRS)

    Jaworske, D. A.; Miller, J. D.

    1986-01-01

    In situ resistance measurements were used to follow the intercalation of copper chloride in pitch-based fibers. Subsequent single fiber resistivity measurements reveal a large range of resistivities, from 13 to 160 micro-ohms cm. Additional density measurements reveal a bimodal distribution of mass densities. The dense fibers have lower resistivities and correspond to the stage III compound identified by X-ray diffraction. Neither resistivity nor density correlate with diameter. Both energy dispersive spectroscopy and mass density data suggest that excess chlorine resides in the intercalated fiber, resulting in a stoichiometry of C4.9n CuCl2.5 (where n is the stage number) for the denser fibers. Finally, thermogravimetric analysis shows a 33 percent loss in mass upon heating to 700C. This loss in mass is attributed to loss of both chlorine and carbon.

  19. ASSESSMENT OF THE RELEVANCE OF DISPLACEMENT BASED DESIGN METHODS/CRITERIA TO NUCLEAR PLANT STRUCTURES.

    SciTech Connect

    HOFMAYER,C.; MILLER,C.; WANG,Y.; COSTELLO,J.

    2001-08-12

    Revisions to the USNRC Regulatory Guides and Standard Review Plan Sections devoted to earthquake engineering practice are currently in process. The intent is to reflect changes in engineering practice that have evolved in the twenty years that have passed since those criteria were originally published. Additionally, field observations of the effects of the Northridge (1994) and Kobe (1995) earthquakes have inspired some reassessment in the technical community about certain aspects of design practice. In particular, questions have arisen about the effectiveness of basing earthquake resistant designs on resistance to seismic forces and, then evaluating tolerability of the expected displacements. Therefore, a research effort was undertaken to examine the implications for NRC's seismic practice of the move, in the earthquake engineering community, toward using expected displacement rather than force (or stress) as the basis for assessing design adequacy. The results of the NRC sponsored research on this subject are reported in this paper. A slow trend toward the utilization of displacement based methods for design was noted. However, there is a more rapid trend toward the use of displacement based methods for seismic evaluation of existing facilities. A document known as FEMA 273, has been developed and is being used as the basis for the design of modifications to enhance the seismic capability of existing non-nuclear facilities. The research concluded that displacement based methods, such as given in FEMA 273, may be useful for seismic margin studies of existing nuclear power stations. They are unlikely to be useful for the basic design of new stations since nuclear power stations are designed to remain elastic during a seismic event. They could, however, be useful for estimating the margins associated with that design.

  20. The mechanism of caesium intercalation of graphene.

    PubMed

    Petrović, M; Šrut Rakić, I; Runte, S; Busse, C; Sadowski, J T; Lazić, P; Pletikosić, I; Pan, Z-H; Milun, M; Pervan, P; Atodiresei, N; Brako, R; Šokčević, D; Valla, T; Michely, T; Kralj, M

    2013-01-01

    Properties of many layered materials, including copper- and iron-based superconductors, topological insulators, graphite and epitaxial graphene, can be manipulated by the inclusion of different atomic and molecular species between the layers via a process known as intercalation. For example, intercalation in graphite can lead to superconductivity and is crucial in the working cycle of modern batteries and supercapacitors. Intercalation involves complex diffusion processes along and across the layers; however, the microscopic mechanisms and dynamics of these processes are not well understood. Here we report on a novel mechanism for intercalation and entrapment of alkali atoms under epitaxial graphene. We find that the intercalation is adjusted by the van der Waals interaction, with the dynamics governed by defects anchored to graphene wrinkles. Our findings are relevant for the future design and application of graphene-based nano-structures. Similar mechanisms can also have a role for intercalation of layered materials. PMID:24212475

  1. The alkaline earth intercalates of molybdenum disulfide

    NASA Technical Reports Server (NTRS)

    Somoano, R. B.; Hadek, V.; Rembaum, A.; Samson, S.; Woollam, J. A.

    1975-01-01

    Molybdenum disulfide has been intercalated with calcium and strontium by means of the liquid ammonia technique. Chemical, X-ray, and superconductivity data are presented. The X-ray data reveal a lowering of crystal symmetry and increase of complexity of the structure upon intercalation with the alkaline earth metals. The Ca and Sr intercalates start to superconduct at 4 and 5.6 K, respectively, and show considerable anisotropy regarding the critical magnetic field.

  2. Environmental stability of intercalated graphite fibers

    NASA Technical Reports Server (NTRS)

    Gaier, J. R.; Jaworske, D. A.

    1985-01-01

    Graphite fibers intercalated with bromine, iodine monochloride, ferric chloride, and cupric chloride were subjected to stability tests under four environments which are encountered by engineering materials in the aerospace industry: ambient laboratory conditions, as would be experienced during handling operations and terrestrial applications; high vacuum, as would be experienced in space applications; high humidity, as would be experienced in marine applications; and high temperature, as would be experienced in some processing steps and applications. Monitoring the resistance of the fibers at ambient laboratory conditions revealed that only the ferric chloride intercalated fibers were unstable, due to absorption of water from the air. All four types of intercalated fibers were unstable, due to absorption of water from the air. All four types of intercalated fibers were stable for long periods under high vacuum. Ferric chloride, cupric chloride, and iodine monochloride intercalated fibers were sensitive to high humidity conditions. All intercalated fibers began to degrade above 250 C. The order of their thermal stability, from lowest to highest, was cupric chloride, iodine monochloride, bromine, and ferric chloride. Of the four types of intercalated fibers tested, the bromine intercalated fibers appear to have the most potential for application, based on environmental stability.

  3. Intercalation chemistry of zirconium 4-sulfophenylphosphonate

    SciTech Connect

    Svoboda, Jan; Zima, Vítězslav; Melánová, Klára; Beneš, Ludvík; Trchová, Miroslava

    2013-12-15

    Zirconium 4-sulfophenylphosphonate is a layered material which can be employed as a host for the intercalation reactions with basic molecules. A wide range of organic compounds were chosen to represent intercalation ability of zirconium 4-sulfophenylphosphonate. These were a series of alkylamines from methylamine to dodecylamine, 1,4-phenylenediamine, p-toluidine, 1,8-diaminonaphthalene, 1-aminopyrene, imidazole, pyridine, 4,4′-bipyridine, poly(ethylene imine), and a series of amino acids from glycine to 6-aminocaproic acid. The prepared compounds were characterized by powder X-ray diffraction, thermogravimetry analysis and IR spectroscopy and probable arrangement of the guest molecules in the interlayer space of the host is proposed based on the interlayer distance of the prepared intercalates and amount of the intercalated guest molecules. - Graphical abstract: Nitrogen-containing organic compounds can be intercalated into the interlayer space of zirconium 4-sulfophenylphosphonate. - Highlights: • Zirconium 4-sulfophenylphosphonate was examined as a host material in intercalation chemistry. • A wide range of nitrogen-containing organic compounds were intercalated. • Possible arrangement of the intercalated species is described.

  4. Graphite intercalation compound with iodine as the major intercalate

    NASA Technical Reports Server (NTRS)

    Hung, Ching-Cheh; Kucera, Donald

    1994-01-01

    Halogenated graphite CBr(x)I(y) (I less than y/x less than 10) was made by exposing graphite materials to either pure Br2 or an I2/Br2/HBr mixture to initiate the reaction, and then to iodine vapor containing a small amount of Br2/HBr/IBr to complete the intercalation reaction. Wetting of the graphite materials by the I2/Br2/HBr mixture is needed to start the reaction, and a small amount of Br2/HBr/IBr is needed to complete the charge transfer between iodine and carbon. The interplanar spacings for the graphite materials need to be in the 3.35 to 3.41 A range. The X-ray diffraction data obtained from the halogenated HOPG indicate that the distance between the two carbon layers containing intercalate is 7.25 A. Electrical resistivity of the fiber product is from 3 to 6.5 times the pristine value, The presence of a small amount of isoprene rubber in the reaction significantly increased the iodine-to-bromine ratio in the product. In this reaction, rubber is known to generate HBr and to slowly remove bromine from the vapor. The halogenation generally caused a 22 percent to 25 percent weight increase. The halogens were found uniformly distributed in the product interior. However, although the surface contains very little iodine, it has high concentrations of bromine and oxygen. It is believed that the high concentrations of bromine and oxygen in this surface cause the halogenated fiber to be more resistant to structural damage during subsequent fluorination to fabricate graphite fluoride fibers.

  5. Intercalated hybrid graphite fiber composite

    NASA Technical Reports Server (NTRS)

    Gaier, James R. (Inventor)

    1993-01-01

    The invention is directed to a highly conductive lightweight hybrid material and methods of producing the same. The hybrid composite is obtained by weaving strands of a high strength carbon or graphite fiber into a fabric-like structure, depositing a layer of carbon onto the structure, heat treating the structure to graphitize the carbon layer, and intercalating the graphitic carbon layer structure. A laminate composite material useful for protection against lightning strikes comprises at least one layer of the hybrid material over at least one layer of high strength carbon or graphite fibers. The composite material of the present invention is compatible with matrix compounds, has a coefficient of thermal expansion which is the same as underlying fiber layers, and is resistant to galvanic corrosion in addition to being highly conductive. These materials are useful in the aerospace industry, in particular as lightning strike protection for airplanes.

  6. Electrochemical Li-Ion Intercalation in Octacyanotungstate-Bridged Coordination Polymer with Evidence of Three Magnetic Regimes.

    PubMed

    Long, Jérôme; Asakura, Daisuke; Okubo, Masashi; Yamada, Atsuo; Guari, Yannick; Larionova, Joulia

    2016-08-01

    Discovery of novel compounds capable of electrochemical ion intercalation is a primary step toward development of advanced electrochemical devices such as batteries. Although cyano-bridged coordination polymers including Prussian blue analogues have been intensively investigated as ion intercalation materials, the solid-state electrochemistry of the octacyanotungstate-bridged coordination polymer has not been investigated. Here, we demonstrate that an octacyanotungstate-bridged coordination polymer Tb(H2O)5[W(CN)8] operates as a Li(+)-ion intercalation electrode material. The detailed magnetic measurements reveal that the tunable amount of intercalated Li(+) ion in the solid-state redox reaction between paramagnetic [W(V)(CN)8](3-) and diamagnetic [W(IV)(CN)8](4-) in the framework enables the electrochemical control of different magnetic regimes. While the initial ferromagnetic long-range ordering is irreversibly lost upon lithium insertion, electrochemical switching between paramagnetic and short-range ordering regimes can be achieved. PMID:27420412

  7. Electrochemical Li-Ion Intercalation in Octacyanotungstate-Bridged Coordination Polymer with Evidence of Three Magnetic Regimes.

    PubMed

    Long, Jérôme; Asakura, Daisuke; Okubo, Masashi; Yamada, Atsuo; Guari, Yannick; Larionova, Joulia

    2016-08-01

    Discovery of novel compounds capable of electrochemical ion intercalation is a primary step toward development of advanced electrochemical devices such as batteries. Although cyano-bridged coordination polymers including Prussian blue analogues have been intensively investigated as ion intercalation materials, the solid-state electrochemistry of the octacyanotungstate-bridged coordination polymer has not been investigated. Here, we demonstrate that an octacyanotungstate-bridged coordination polymer Tb(H2O)5[W(CN)8] operates as a Li(+)-ion intercalation electrode material. The detailed magnetic measurements reveal that the tunable amount of intercalated Li(+) ion in the solid-state redox reaction between paramagnetic [W(V)(CN)8](3-) and diamagnetic [W(IV)(CN)8](4-) in the framework enables the electrochemical control of different magnetic regimes. While the initial ferromagnetic long-range ordering is irreversibly lost upon lithium insertion, electrochemical switching between paramagnetic and short-range ordering regimes can be achieved.

  8. Recent advances in small organic molecules as DNA intercalating agents: synthesis, activity, and modeling.

    PubMed

    Rescifina, Antonio; Zagni, Chiara; Varrica, Maria Giulia; Pistarà, Venerando; Corsaro, Antonino

    2014-03-01

    The interaction of small molecules with DNA plays an essential role in many biological processes. As DNA is often the target for majority of anticancer and antibiotic drugs, study about the interaction of drug and DNA has a key role in pharmacology. Moreover, understanding the interactions of small molecules with DNA is of prime significance in the rational design of more powerful and selective anticancer agents. Two of the most important and promising targets in cancer chemotherapy include DNA alkylating agents and DNA intercalators. For these last the DNA recognition is a critical step in their anti-tumor action and the intercalation is not only one kind of the interactions in DNA recognition but also a pivotal step of several clinically used anti-tumor drugs such as anthracyclines, acridines and anthraquinones. To push clinical cancer therapy, the discovery of new DNA intercalators has been considered a practical approach and a number of intercalators have been recently reported. The intercalative binding properties of such molecules can also be harnessed as diagnostic probes for DNA structure in addition to DNA-directed therapeutics. Moreover, the problem of intercalation site formation in the undistorted B-DNA of different length and sequence is matter of tremendous importance in molecular modeling studies and, nowadays, three models of DNA intercalation targets have been proposed that account for the binding features of intercalators. Finally, despite DNA being an important target for several drugs, most of the docking programs are validated only for proteins and their ligands. Therefore, a default protocol to identify DNA binding modes which uses a modified canonical DNA as receptor is needed.

  9. Stability of Bromine Intercalated Graphite Fibers

    NASA Technical Reports Server (NTRS)

    Gaier, J. R.

    1984-01-01

    Previous evidence suggested that bromine intercalation compounds of crystalline graphite spontaneously deintercalate when the bromine atmosphere is removed. However, results show that bromine intercalated P-100 graphite fibers are stable for long periods of time. They are stable under vacuum conditions, high humidity, and current densities up to 24,000 A/sq cm. They are thermally stable to 200 C, and at temperatures as high as 400 C still retain 80 percent of the conductivity gained by intercalation. At temperatures greater than 300 C, there is significant oxidative degradation of the fibers. The environmental stability shown by the bromine compound makes it a promising candidate for practical applications in aerospace technology.

  10. A method to remove intercalates from bromine and iodine intercalated carbon fibers

    NASA Technical Reports Server (NTRS)

    Hung, Ching-Cheh

    1993-01-01

    Upon exposure to room-temperature fluorine, intercalated carbon fibers (containing either bromine alone or iodine and bromine together) become heavier and less stable. For Amoco P-100 graphitized carbon fibers which were intercalated with 18 percent bromine by weight, 1 hr of fluorine exposure results in a large weight increase, but causes only a small decrease in thermal stability. More than l hr of fluorine exposure time results in small additional increases in fiber weight, but significant further decreases in fiber thermal stability. Such phenomena do not occur if the fluorine exposure is at 250 C. These observations suggest the mechanism that at room temperature, fluorine is absorbed quickly by the intercalated fibers and intercalated slowly into the fibers. Most of the original intercalates are replaced by fluorine in the process of fluorine intercalation. Under an inert environment, the bromine intercalated fibers are much more thermally stable. After 800 C vacuum heating for two weeks, the brominated fibers lost about 45 percent of their bromine, and their resistivity increased from 64 omega-cm to a range of 95 to 170 micro omega-cm. This is still much lower than the 300 micro omega-cm value for pristine P-100. For practical purposes, in order to preserve their thermal stability, brominated fibers need to be protected from exposure to fluorine at room temperature, or to any intercalate at a temperature where, upon direct contact to graphite, an intercalation compound can easily be formed.

  11. Displacement-Based Seismic Design Procedure for Framed Buildings with Dissipative Braces Part I: Theoretical formulation

    SciTech Connect

    Mazza, Fabio; Vulcano, Alfonso

    2008-07-08

    The insertion of steel braces equipped with dissipative devices proves to be very effective in order to enhance the performance of a framed building under horizontal seismic loads. Multi-level design criteria were proposed according to the Performance-Based Design, in order to get, for a specific level of the seismic intensity, a designated performance objective of the building (e.g., an assigned damage level of either the framed structure or non-structural elements). In this paper a design procedure aiming to proportion braces with hysteretic dampers in order to attain, for a specific level of the seismic intensity, a designated performance level of the building is proposed. Exactly, a proportional stiffness criterion, which assumes the elastic lateral storey-stiffness due to the braces proportional to that of the unbraced frame, is combined with the Direct Displacement-Based Design, in which the design starts from target deformations. A computer code has been prepared for the nonlinear static and dynamic analyses, using a step-by-step procedure. Frame members and hysteretic dampers are idealized by bilinear models.

  12. Displacement-Based Seismic Design Procedure for Framed Buildings with Dissipative Braces Part II: Numerical Results

    SciTech Connect

    Mazza, Fabio; Vulcano, Alfonso

    2008-07-08

    For a widespread application of dissipative braces to protect framed buildings against seismic loads, practical and reliable design procedures are needed. In this paper a design procedure based on the Direct Displacement-Based Design approach is adopted, assuming the elastic lateral storey-stiffness of the damped braces proportional to that of the unbraced frame. To check the effectiveness of the design procedure, presented in an associate paper, a six-storey reinforced concrete plane frame, representative of a medium-rise symmetric framed building, is considered as primary test structure; this structure, designed in a medium-risk region, is supposed to be retrofitted as in a high-risk region, by insertion of diagonal braces equipped with hysteretic dampers. A numerical investigation is carried out to study the nonlinear static and dynamic responses of the primary and the damped braced test structures, using step-by-step procedures described in the associate paper mentioned above; the behaviour of frame members and hysteretic dampers is idealized by bilinear models. Real and artificial accelerograms, matching EC8 response spectrum for a medium soil class, are considered for dynamic analyses.

  13. Displacement-Based Seismic Design Procedure for Framed Buildings with Dissipative Braces Part II: Numerical Results

    NASA Astrophysics Data System (ADS)

    Mazza, Fabio; Vulcano, Alfonso

    2008-07-01

    For a widespread application of dissipative braces to protect framed buildings against seismic loads, practical and reliable design procedures are needed. In this paper a design procedure based on the Direct Displacement-Based Design approach is adopted, assuming the elastic lateral storey-stiffness of the damped braces proportional to that of the unbraced frame. To check the effectiveness of the design procedure, presented in an associate paper, a six-storey reinforced concrete plane frame, representative of a medium-rise symmetric framed building, is considered as primary test structure; this structure, designed in a medium-risk region, is supposed to be retrofitted as in a high-risk region, by insertion of diagonal braces equipped with hysteretic dampers. A numerical investigation is carried out to study the nonlinear static and dynamic responses of the primary and the damped braced test structures, using step-by-step procedures described in the associate paper mentioned above; the behaviour of frame members and hysteretic dampers is idealized by bilinear models. Real and artificial accelerograms, matching EC8 response spectrum for a medium soil class, are considered for dynamic analyses.

  14. Displacement-based seismic design of flat slab-shear wall buildings

    NASA Astrophysics Data System (ADS)

    Sen, Subhajit; Singh, Yogendra

    2016-06-01

    Flat slab system is becoming widely popular for multistory buildings due to its several advantages. However, the performance of flat slab buildings under earthquake loading is unsatisfactory due to their vulnerability to punching shear failure. Several national design codes provide guidelines for designing flat slab system under gravity load only. Nevertheless, flat slab buildings are also being constructed in high seismicity regions. In this paper, performance of flat slab buildings of various heights, designed for gravity load alone according to code, is evaluated under earthquake loading as per ASCE/SEI 41 methodology. Continuity of slab bottom reinforcement through column cage improves the performance of flat slab buildings to some extent, but it is observed that these flat slab systems are not adequate in high seismicity areas and need additional primary lateral load resisting systems such as shear walls. A displacement-based method is proposed to proportion shear walls as primary lateral load resisting elements to ensure satisfactory performance. The methodology is validated using design examples of flat slab buildings with various heights.

  15. Organic intercalation of structure modified vermiculite.

    PubMed

    Wu, Nian; Wu, Limei; Liao, Libing; Lv, Guocheng

    2015-11-01

    The experiment used cationic surfactants of different chain lengths to intercalate structure modified vermiculites. The influences of structure modification, chain length and dosage of surfactants on the intercalation behavior of vermiculites were studied, and intercalation mechanism and features of interlayer chemical reactions were discussed. Results indicate that structure modified vermiculites with different layer charge have different intercalation behavior. The basal spacing of the organic intercalated modified vermiculite is the largest when acid concentration used in structure modification is 0.003 mol/L, and increases with increasing the chain length and dosage of the organics. Molecular dynamics simulation verifies that interlayer organics align almost parallel to structure layer of vermiculite, with alkyl chain stretching to the middle of interlayer space. -N(+) groups of the three surfactants locate above the leached [SiO4], which has stronger interaction with interlayer organic cations. Electrostatic force is the main interaction force between interlayer organics and structure layer of vermiculite, and then is Van der Waals force, no chemical bond formed. PMID:26196709

  16. Collecting duct intercalated cell function and regulation.

    PubMed

    Roy, Ankita; Al-bataineh, Mohammad M; Pastor-Soler, Núria M

    2015-02-01

    Intercalated cells are kidney tubule epithelial cells with important roles in the regulation of acid-base homeostasis. However, in recent years the understanding of the function of the intercalated cell has become greatly enhanced and has shaped a new model for how the distal segments of the kidney tubule integrate salt and water reabsorption, potassium homeostasis, and acid-base status. These cells appear in the late distal convoluted tubule or in the connecting segment, depending on the species. They are most abundant in the collecting duct, where they can be detected all the way from the cortex to the initial part of the inner medulla. Intercalated cells are interspersed among the more numerous segment-specific principal cells. There are three types of intercalated cells, each having distinct structures and expressing different ensembles of transport proteins that translate into very different functions in the processing of the urine. This review includes recent findings on how intercalated cells regulate their intracellular milieu and contribute to acid-base regulation and sodium, chloride, and potassium homeostasis, thus highlighting their potential role as targets for the treatment of hypertension. Their novel regulation by paracrine signals in the collecting duct is also discussed. Finally, this article addresses their role as part of the innate immune system of the kidney tubule. PMID:25632105

  17. Hydrogen intercalation under graphene on Ir(111)

    NASA Astrophysics Data System (ADS)

    Grånäs, Elin; Gerber, Timm; Schröder, Ulrike A.; Schulte, Karina; Andersen, Jesper N.; Michely, Thomas; Knudsen, Jan

    2016-09-01

    Using high resolution X-ray photoelectron spectroscopy and scanning tunneling microscopy we study the intercalation of hydrogen under graphene/Ir(111). The hydrogen intercalated graphene is characterized by a component in C 1s that is shifted -0.10 to -0.18 eV with respect to pristine graphene and a component in Ir 4f at 60.54 eV. The position of this Ir 4f component is identical to that of the Ir(111) surface layer with hydrogen atoms adsorbed, indicating that the atomic hydrogen adsorption site on bare Ir(111) and beneath graphene is the same. Based on co-existence of fully- and non-intercalated graphene, and the inability to intercalate a closed graphene film covering the entire Ir(111) surface, we conclude that hydrogen dissociatively adsorbs at bare Ir(111) patches, and subsequently diffuses rapidly under graphene. A likely entry point for the intercalating hydrogen atoms is identified to be where graphene crosses an underlying Ir(111) step.

  18. Feasibility of intercalated graphite railgun armatures

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Gooden, Clarence E.; Yashan, Doreen; Naud, Steven

    1990-01-01

    Graphite intercalation compounds may provide an excellent material for the fabrication of electro-magnetic railgun armatures. As a pulse of power is fed into the armature the intercalate could be excited into the plasma state around the edges of the armature, while the bulk of the current would be carried through the graphite block. Such an armature would have the desirable characteristics of both diffuse plasma armatures and bulk conduction armatures. In addition, the highly anisotropic nature of these materials could enable the electrical and thermal conductivity to be tailored to meet the specific requirements of electromagnetic railgun armatures. Preliminary investigations were performed in an attempt to determine the feasibility of using graphite intercalation compounds as railgun armatures. Issues of fabrication, resistivity, stability, and electrical current spreading are addressed for the case of highly oriented pyrolytic graphite.

  19. Mg intercalation into Ti2C building block

    NASA Astrophysics Data System (ADS)

    Yu, Xue-fang; Cheng, Jianbo; Liu, Zhenbo; Li, Qingzhong; Li, Wenzuo; Yang, Xin; Xiao, Bo

    2015-06-01

    Generally, intercalation occurs when foreign atoms intercalate into multi-layer structures, while adsorption occurs when foreign atoms interact with monolayer structures or surfaces. We performed an investigation on the Mg intercalation into Ti2C building block (MXene) from first-principles simulation. We found that Mg can favorably intercalate into MXene, forming the stable compound Ti2MgC, which corresponds to the stage I in the Li intercalation into graphite. Based on the evaluation of the average cell potential and the energy barrier of Mg diffusion for the most energetically stable structure, our results suggest that Ti2MgC is a potential anode for Mg ion batteries.

  20. Onset of superconductivity in sodium and potassium intercalated molybdenum disulphide

    NASA Technical Reports Server (NTRS)

    Somoano, R. B.; Rembaum, A.

    1971-01-01

    Molybdenum disulfide in the form of natural crystals or powder has been intercalated at -65 to -70 C with sodium and potassium using the liquid ammonia technique. All intercalated samples were found to show a superconducting transition. A plot of the percent of diamagnetic throw versus temperature indicates the possible existence of two phases in the potassium intercalated molybdenum disulfide. The onset of superconductivity in potassium and sodium intercalated molybdenite powder was found to be approximately 6.2 and approximately 4.5 K, respectively. The observed superconductivity is believed to be due to an increase in electron density as a result of intercalation.

  1. Demonstration of Einstein-Podolsky-Rosen Steering Using Single-Photon Path Entanglement and Displacement-Based Detection.

    PubMed

    Guerreiro, T; Monteiro, F; Martin, A; Brask, J B; Vértesi, T; Korzh, B; Caloz, M; Bussières, F; Verma, V B; Lita, A E; Mirin, R P; Nam, S W; Marsilli, F; Shaw, M D; Gisin, N; Brunner, N; Zbinden, H; Thew, R T

    2016-08-12

    We demonstrate the violation of an Einstein-Podolsky-Rosen steering inequality developed for single-photon path entanglement with displacement-based detection. We use a high-rate source of heralded single-photon path-entangled states, combined with high-efficiency superconducting-based detectors, in a scheme that is free of any postselection and thus immune to the detection loophole. This result conclusively demonstrates single-photon entanglement in a one-sided device-independent scenario, and opens the way towards implementations of device-independent quantum technologies within the paradigm of path entanglement.

  2. Demonstration of Einstein-Podolsky-Rosen Steering Using Single-Photon Path Entanglement and Displacement-Based Detection.

    PubMed

    Guerreiro, T; Monteiro, F; Martin, A; Brask, J B; Vértesi, T; Korzh, B; Caloz, M; Bussières, F; Verma, V B; Lita, A E; Mirin, R P; Nam, S W; Marsilli, F; Shaw, M D; Gisin, N; Brunner, N; Zbinden, H; Thew, R T

    2016-08-12

    We demonstrate the violation of an Einstein-Podolsky-Rosen steering inequality developed for single-photon path entanglement with displacement-based detection. We use a high-rate source of heralded single-photon path-entangled states, combined with high-efficiency superconducting-based detectors, in a scheme that is free of any postselection and thus immune to the detection loophole. This result conclusively demonstrates single-photon entanglement in a one-sided device-independent scenario, and opens the way towards implementations of device-independent quantum technologies within the paradigm of path entanglement. PMID:27563941

  3. Demonstration of Einstein-Podolsky-Rosen Steering Using Single-Photon Path Entanglement and Displacement-Based Detection

    NASA Astrophysics Data System (ADS)

    Guerreiro, T.; Monteiro, F.; Martin, A.; Brask, J. B.; Vértesi, T.; Korzh, B.; Caloz, M.; Bussières, F.; Verma, V. B.; Lita, A. E.; Mirin, R. P.; Nam, S. W.; Marsilli, F.; Shaw, M. D.; Gisin, N.; Brunner, N.; Zbinden, H.; Thew, R. T.

    2016-08-01

    We demonstrate the violation of an Einstein-Podolsky-Rosen steering inequality developed for single-photon path entanglement with displacement-based detection. We use a high-rate source of heralded single-photon path-entangled states, combined with high-efficiency superconducting-based detectors, in a scheme that is free of any postselection and thus immune to the detection loophole. This result conclusively demonstrates single-photon entanglement in a one-sided device-independent scenario, and opens the way towards implementations of device-independent quantum technologies within the paradigm of path entanglement.

  4. Phosphate-stabilized Lithium intercalation compounds

    SciTech Connect

    Richardson, Thomas J.

    2002-07-22

    Four manganese and iron phosphates with alluaudite or fillowite structures have been prepared by solid state reactions: Na2FeMn2(PO4)3, LiNaFeMn2(PO4)3, NaFe3(PO4)3, and Na2Mn3(PO4)3. LixNa2-xFeMn2(PO4)3 with x close to 2 was prepared from Na2FeMn2(PO4)3 by molten salt ion exchange. These materials are similar in stoichiometry to the phospho-olivines LiFe(Mn)PO4, but have a more complex structure that can accommodate mixed transition metal oxidation states. They are of interest as candidates for lithium battery cathodes because of their somewhat higher electronic conductivity, high intercalant ion mobility, and ease of preparation. Their performance as intercalation electrodes in non-aqueous lithium cells was, however, poor.

  5. The intercalation and exfoliation of tungsten disulfide

    NASA Astrophysics Data System (ADS)

    Miremadi, B. K.; Morrison, S. R.

    1988-05-01

    The exfoliation of WS2, the separation of this layer compound into single molecular layers suspended in solution, was found more difficult than the exfoliation of MoS2 reported earlier. The difficulty was found to be the resistance of the WS2 to intercalation. By ultrasonic treatments while exposed to hexane plus n-butylithium, the lithium was found to intercalate, and exfoliation by immersion in water became possible. Restacking the WS2 by drying in a basic solution led to much larger crystallites than the as-received material, while flocculating by decreasing the pH led to small crystallites with a high density of edge planes. Nickel and aluminum inclusions lead to poor restacking, with no regular c spacing between WS2 basal planes. The more vigorous exfoliation procedure applied to MoS2 also leads to loss of regular c spacing (the x-ray diffraction pattern is essentially that of single molecular layers).

  6. EMI Shields made from intercalated graphite composites

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Terry, Jennifer

    1995-01-01

    Electromagnetic interference (EMI) shielding typically makes up about twenty percent of the mass of a spacecraft power system. Graphite fiber/polymer composites have significantly lower densities and higher strengths than aluminum, the present material of choice for EMI shields, but they lack the electrical conductivity that enables acceptable shielding effectiveness. Bromine intercalated pitch-based graphite/epoxy composites have conductivities fifty times higher than conventional structural graphite fibers. Calculations are presented which indicate that EMI shields made from such composites can have sufficient shielding at less than 20% of the mass of conventional aluminum shields. EMI shields provide many functions other than EMI shielding including physical protection, thermal management, and shielding from ionizing radiation. Intercalated graphite composites perform well in these areas also. Mechanically, they have much higher specific strength and modulus than aluminum. They also have shorter half thicknesses for x-rays and gamma radiation than aluminum. Thermally, they distribute infra-red radiation by absorbing and re-radiating it rather than concentrating it by reflection as aluminum does. The prospects for intercalated graphite fiber/polymer composites for EMI shielding are encouraging.

  7. Superconducting graphite intercalation compounds with calcium

    NASA Astrophysics Data System (ADS)

    Emery, N.; Hérold, C.; Marêché, J.-F.; Lagrange, P.; Bellouard, C.; Lamura, G.; Di Gennaro, E.; Andreone, A.

    2008-04-01

    In the graphite-lithium-calcium system, four well-defined intercalation compounds were synthesised. Two of them, CaC 6 and Li 3Ca 2C 6, exhibit superconducting properties at 11.5 K and 11.15 K, respectively, the highest critical temperatures among those of graphite intercalation compounds. The samples are synthesised using a liquid-solid method allowing the preparation of pure bulk samples, auspicious for crystallographic and magnetic measurements. The crystal structure of CaC 6 was entirely specified; this compound crystallises in the R-3 m space group. The two-dimensional unit cell of Li 3Ca 2C 6 is hexagonal and commensurate with that of graphite and the intercalated sheets, very rich in metal, are seven-layered. The magnetic properties of these phases were studied with an applied field parallel and perpendicular to the graphene sheets. In both cases the magnetic phase diagram indicates that these compounds are type II superconducting materials slightly anisotropic in spite of their lamellar structure. In the case of CaC 6, in-plane magnetic penetration depth measurements show a clear exponential behaviour at low temperatures, consistent with an s-wave symmetry of the gap function, well fitted by the standard BCS theory in the dirty limit.

  8. Intercalation compounds and electrodes for batteries

    DOEpatents

    Chiang, Yet-Ming; Sadoway, Donald R.; Jang, Young-Il; Huang, Biyan

    2004-09-07

    This invention concerns intercalation compounds and in particular lithium intercalation compounds which have improved properties for use in batteries. Compositions of the invention include particulate metal oxide material having particles of multicomponent metal oxide, each including an oxide core of at least first and second metals in a first ratio, and each including a surface coating of metal oxide or hydroxide that does not include the first and second metals in the first ratio formed by segregation of at least one of the first and second metals from the core. The core may preferably comprise Li.sub.x M.sub.y N.sub.z O.sub.2 wherein M and N are metal atom or main group elements, x, y and z are numbers from about 0 to about 1 and y and z are such that a formal charge on M.sub.y N.sub.z portion of the compound is (4-x), and having a charging voltage of at least about 2.5V. The invention may also be characterized as a multicomponent oxide microstructure usable as a lithium intercalation material including a multiphase oxide core and a surface layer of one material, which is a component of the multiphase oxide core, that protects the underlying intercalation material from chemical dissolution or reaction. In a particular preferred example the multicomponent oxide may be an aluminum-doped lithium manganese oxide composition. Such aluminum-doped lithium manganese oxide compositions, having an orthorhombic structure, also form a part of the invention. In addition, the invention includes articles, particularly electrodes, for batteries formed from the compositions of the invention, and batteries including such electrodes. The invention further relates to a composite intercalation material comprising at least two compounds in which at least one compound has an orthorhombic structure Li.sub.x Al.sub.y Mn.sub.1-y O.sub.2, where y is nonzero, or a mixture of orthorhombic and monoclinic Li.sub.x Al.sub.y Mn.sub.1-y O.sub.2.

  9. The intercalation chemistry of layered iron chalcogenide superconductors

    NASA Astrophysics Data System (ADS)

    Vivanco, Hector K.; Rodriguez, Efrain E.

    2016-10-01

    The iron chalcogenides FeSe and FeS are superconductors composed of two-dimensional sheets held together by van der Waals interactions, which makes them prime candidates for the intercalation of various guest species. We review the intercalation chemistry of FeSe and FeS superconductors and discuss their synthesis, structure, and physical properties. Before we review the latest work in this area, we provide a brief background on the intercalation chemistry of other inorganic materials that exhibit enhanced superconducting properties upon intercalation, which include the transition metal dichalcogenides, fullerenes, and layered cobalt oxides. From past studies of these intercalated superconductors, we discuss the role of the intercalates in terms of charge doping, structural distortions, and Fermi surface reconstruction. We also briefly review the physical and chemical properties of the host materials-mackinawite-type FeS and β-FeSe. The three types of intercalates for the iron chalcogenides can be placed in three categories: 1.) alkali and alkaline earth cations intercalated through the liquid ammonia technique; 2.) cations intercalated with organic amines such as ethylenediamine; and 3.) layered hydroxides intercalated during hydrothermal conditions. A recurring theme in these studies is the role of the intercalated guest in electron doping the chalcogenide host and in enhancing the two-dimensionality of the electronic structure by spacing the FeSe layers apart. We end this review discussing possible new avenues in the intercalation chemistry of transition metal monochalcogenides, and the promise of these materials as a unique set of new inorganic two-dimensional systems.

  10. Superconductivity in Ca-intercalated epitaxial graphene on silicon carbide

    NASA Astrophysics Data System (ADS)

    Li, Kang; Feng, Xiao; Zhang, Wenhao; Ou, Yunbo; Chen, Lianlian; He, Ke; Wang, Li-Li; Guo, Liwei; Liu, Guodong; Xue, Qi-Kun; Ma, Xucun

    2013-08-01

    We have prepared Ca-intercalated multilayer epitaxial graphene films on silicon carbide and observed superconductivity in them with both magnetic and transport measurements. Superconducting transition has been detected at temperature up to 7 K in Ca-intercalated epitaxial graphene with the thickness down to 10 layers grown on both Si-face and C-face of silicon carbide. The result demonstrates intercalated epitaxial graphene as a good platform to study graphene-based superconductivity.

  11. Physics and chemistry of MoS2 intercalation compounds

    NASA Technical Reports Server (NTRS)

    Woollam, J. A.; Somoano, R. B.

    1977-01-01

    An investigation is made of the physics and chemistry of MoS2 intercalation compounds. These compounds may be separated into two groups according to their stoichiometry, structure and superconducting properties. The first group consists of Na, Ca, and Sr intercalates, and the second group consists of K, Rb, and Cs intercalates. Particular attention is given to the structure of the electronic energy band and to the normal state and superconducting properties of these compounds.

  12. Intercalation of both CTMAB and Al13 into montmorillonite.

    PubMed

    Zhu, Runliang; Wang, Tong; Ge, Fei; Chen, Wangxiang; You, Zhimin

    2009-07-01

    Clays intercalated with both organic cations and hydroxy-metal cations, also known as inorganic-organic clays (IOCs), have drawn great interests in the recent years because they possess the properties of both organoclays and pillared layered clays (PILCs). In this work, cetyltrimethyl ammonium bromide (CTMAB) and hydroxy-aluminum ([Al13O4(OH)24(H2O)12]7+ or Al13) were selected as the representatives of organic cations and hydroxy-metal cations, and three different methods were employed for the intercalation of montmorillonite at various CTMAB/Al13 ratios. This work aims to provide some novel information for clarifying the structural characteristics of IOCs. The experimental results showed that the structures of the resulting IOCs strongly depended on the intercalation methods and CTMAB/Al13 ratio. Both the intercalation agents could be intercalated into montmorillonite if they were used simultaneously for the intercalation, or if Al13 was intercalated after CTMAB, and the resulting IOCs were shown to have large basal spacing and small surface areas. However, if Al13 was intercalated first, the loading amounts of CTMAB would decrease significantly when the used Al13 amounts were relatively large (> or = 4 mmol Al/g montmorillonite). This could be attributed to the "lock" effect of montmorillonite's layers by the pre-intercalated Al13, and the basal spacing values of the resulting IOCs were shown to be equal to those of the PILCs. PMID:19394028

  13. Aluminosilicate nanohybrid materials. Intercalation of polystyrene in kaolinite

    NASA Astrophysics Data System (ADS)

    Elbokl, Tamer A.; Detellier, Christian

    2006-05-01

    This paper reports on the intercalation of polystyrene into the interlamellar spaces of kaolinite. The intercalation was achieved by a free radical polymerization reaction of styrene in the presence of a kaolinite DMSO intercalate as a starting material. The results of the XRD, FTIR and TGA analyses confirmed the intercalation of polystyrene in the interlamellar spaces of kaolinite. 13C CP/MAS and DD/MAS spectra indicated the almost complete displacement of DMSO by polystyrene chains and the rigidity of the latter in the interlamellar spaces. 29Si and 27Al NMR spectra of the starting materials and the products are also discussed.

  14. Assessment of Soil-Structure Interaction in Seismic Bridge Pier Analysis Using Force and Displacement Based Approaches

    NASA Astrophysics Data System (ADS)

    Singh, R. N. P.; Vinayak, Hemant Kumar

    2015-11-01

    The seismic analysis carried out assuming foundation to be perfectly rigid and bonded to the soil underneath is far from truth and therefore, the soil-structure interaction effect on the dynamic behavior of the bridge pier should be considered. The assessment of soil-structure effect on the design force generated has been estimated using Force based, Capacity Spectrum and Direct Displacement based methods considering fixed and flexible foundations. For this purpose a single cantilever bridge pier of constant diameter with varying heights has been considered for the analysis in different type of soils and earthquake zones. The study has revealed that soil-Structure Interaction index is negative in some cases, especially in soft soil, implying base shear demand being greater than that of fixed base contrary to the traditional views.

  15. Guided Discoveries.

    ERIC Educational Resources Information Center

    Ehrlich, Amos

    1991-01-01

    Presented are four mathematical discoveries made by students on an arithmetical function using the Fibonacci sequence. Discussed is the nature of the role of the teacher in directing the students' discovery activities. (KR)

  16. Superconductivity in Li{sub 3}Ca{sub 2}C{sub 6} intercalated graphite

    SciTech Connect

    Emery, Nicolas; Herold, Claire . E-mail: Claire.Herold@lcsm.uhp-nancy.fr; Mareche, Jean-Francois; Bellouard, Christine; Loupias, Genevieve; Lagrange, Philippe

    2006-04-15

    In this paper, we report the discovery of superconductivity in Li{sub 3}Ca{sub 2}C{sub 6}. Several graphite intercalation compounds (GICs) with electron donors, are well known as superconductors [T. Enoki, S. Masatsugu, E. Morinobu, Graphite Intercalation Compounds and Applications, Oxford University Press, Oxford, 2003]. It is probably not astonishing, since it is generally admitted that low dimensionality promotes high superconducting transition temperatures. Superconductivity is lacking in pristine graphite, but after charging the graphene planes by intercalation, its electronic properties change considerably and superconducting behaviour can appear. Li{sub 3}Ca{sub 2}C{sub 6} is a ternary GIC [S. Pruvost, C. Herold, A. Herold, P. Lagrange, Eur. J. Inorg. Chem. 8 (2004) 1661-1667], for which the intercalated sheets are very thick and poly layered (five lithium layers and two calcium ones). It contains a great amount of metal (five metallic atoms for six carbon ones). Its critical temperature of 11.15 K is very close to that of CaC{sub 6} GIC [T.E. Weller, M. Ellerby, S.S. Saxena, R.P. Smith, N.T. Skipper, Nat. Phys. 1 (2005) 39-41; N. Emery, C. Herold, M. d'Astuto, V. Garcia, Ch. Bellin, J.F. Mareche, P. Lagrange, G. Loupias, Phys. Rev. Lett. 95 (2005) 087003] (11.5 K). Both CaC{sub 6} and Li{sub 3}Ca{sub 2}C{sub 6} GICs possess currently the highest transition temperatures among all the GICs.

  17. Intercalation of water into lithium. beta. -alumina

    SciTech Connect

    Dudney, N J; Bates, J B; Wang, J C; Brown, G M; Larson, B C; Engstrom, H

    1981-01-01

    Infrared absorption, neutron diffraction and weight loss techniques have been used to investigate the hydration of single crystals of Li ..beta..-alumina. The hydration is a reversible intercalation reaction. Up to approximately two water molecules per formula unit can penetrate the conduction plane. Other protonated species are formed from the dissociation of the molecular water. The rate of hydration is controlled by the diffusion of water in the conduction plane. A likely diffusion mechanism requires dissociation of the water and an interstitialcy motion of the oxygen.

  18. Intercalation processes of copper complexes in DNA

    PubMed Central

    Galindo-Murillo, Rodrigo; García-Ramos, Juan Carlos; Ruiz-Azuara, Lena; Cheatham, Thomas E.; Cortés-Guzmán, Fernando

    2015-01-01

    The family of anticancer complexes that include the transition metal copper known as Casiopeínas® shows promising results. Two of these complexes are currently in clinical trials. The interaction of these compounds with DNA has been observed experimentally and several hypotheses regarding the mechanism of action have been developed, and these include the generation of reactive oxygen species, phosphate hydrolysis and/or base-pair intercalation. To advance in the understanding on how these ligands interact with DNA, we present a molecular dynamics study of 21 Casiopeínas with a DNA dodecamer using 10 μs of simulation time for each compound. All the complexes were manually inserted into the minor groove as the starting point of the simulations. The binding energy of each complex and the observed representative type of interaction between the ligand and the DNA is reported. With this extended sampling time, we found that four of the compounds spontaneously flipped open a base pair and moved inside the resulting cavity and four compounds formed stacking interactions with the terminal base pairs. The complexes that formed the intercalation pocket led to more stable interactions. PMID:25958394

  19. Lithium intercalation in porous carbon electrodes

    SciTech Connect

    Tran, T.D.; Feikert, J.; Pekala, R.W.

    1995-04-01

    Carbons derived from the phase separation of polyacrylonitrile/solvent mixtures were investigated as lithium intercalation anodes for rechargeable lithium-ion batteries. The carbon electrodes have a bulk density of 0.35-0.5 g/cm{sup 3}, relatively low surface areas (< 10 m{sup 2}/g), and micron-size cells. Pyrolysis temperature influences the reversible lithium intercalation and the irreversible capacity (associated with the formation of the passivating layer). Carbon electrodes pyrolyzed at 600{degrees}C have first-cycle capacity as high as 550 mAh/g as well as large irreversible capacity, 440 mAh/g. Electrodes prepared at 1050{degrees}C have reversible capacities around 270 mAh/g with relatively lower capacity losses (120 mAh/g). Doping the organic precursors with phosphoric acid, prior to pyrolysis at 1050{degrees}C, leads to carbon electrodes with reversible capacities as high as 450 mAh/g. The capacity of doped carbon increased with increasing phosphorus concentration in the samples. The doped carbon anodes exhibited good cycleability and excellent coulombic efficiency. The electrochemical performance is related to morphology, chemical composition, and local structural order.

  20. Li intercalation at graphene/hexagonal boron nitride interfaces

    NASA Astrophysics Data System (ADS)

    Shirodkar, Sharmila N.; Kaxiras, Efthimios

    2016-06-01

    Intercalation of Li in graphite and other layered structures is of interest for highly efficient energy storage devices. In this paper, we determine the extent to which Li intercalates at the different interfaces formed between graphene (G) and hexagonal boron nitride (hBN) heterostructures. We use ab initio calculations to explore in detail the position of the dispersed Li atoms, changes in the structure at the interfaces, energetic stability of the configurations, and the corresponding electronic structure with varying concentrations of the intercalant. We trace the origin of the energetic stability and maximum concentration of Li that intercalates into various layered structures to the ability of the interface to accept electrons. Our calculations indicate that Li intercalates easiest at G/G interfaces, followed by interfaces between G/hBN, whereas Li cannot intercalate in hBN/hBN interfaces. Our results provide a framework for the design of experimental setups with optimal Li intercalation and reveal the implications of intercalation on the dielectric properties of these materials and their possible application in plasmonics.

  1. Electrochemical intercalation and electrical conductivity of graphite fibers

    NASA Technical Reports Server (NTRS)

    Besenhard, J. O.; Fritz, H. P.; Moehwald, H.; Nickl, J. J.

    1982-01-01

    Lamellar compounds of graphite fibers were prepared by electrochemical intercalation. The dependence of the electrical resistance on the intercalate concentration was determined by a quasi simultaneous method. A factor 30 decrease of the relative fiber resistance was obtained with fluorosulfuric acid.

  2. Metal intercalation-induced selective adatom mass transport on graphene

    DOE PAGESBeta

    Liu, Xiaojie; Wang, Cai -Zhuang; Hupalo, Myron; Lin, Hai -Qing; Ho, Kai -Ming; Thiel, Patricia A.; Tringides, Michael C.

    2016-03-29

    Recent experiments indicate that metal intercalation is a very effective method to manipulate the graphene-adatom interaction and control metal nanostructure formation on graphene. A key question is mass transport, i.e., how atoms deposited uniformly on graphene populate different areas depending on the local intercalation. Using first-principles calculations, we show that partially intercalated graphene, with a mixture of intercalated and pristine areas, can induce an alternating electric field because of the spatial variations in electron doping, and thus, an oscillatory electrostatic potential. As a result, this alternating field can change normal stochastic adatom diffusion to biased diffusion, leading to selective massmore » transport and consequent nucleation, on either the intercalated or pristine areas, depending on the charge state of the adatoms.« less

  3. Intercalation of solid hydrogen into graphite under pressures

    NASA Astrophysics Data System (ADS)

    Lim, Jinhyuk; Yoo, Choong-Shik

    2016-08-01

    We present the Raman spectral evidence of pressure-induced intercalation of solid hydrogen into graphite to 60 GPa. The intercalation is evident by the emergence of two characteristic Raman bands of hydrogen (νo1 and νo2), which appear upon the solidification of hydrogen and disappear as all sp2-hybridized graphitic carbons convert to sp3-hybridized hexagonal diamond at 57 GPa. The νo1 and νo2 frequencies of intercalated hydrogen, 4250 and 4270 cm-1 at 10 GPa, are substantially higher than the νo of bulk hydrogen, 4228 cm-1 at the same pressure, indicating the presence of strong repulsive interactions between intercalated hydrogen molecules and graphite layers and, thereby, strong internal chemical pressures. Based on the spectral blue shift of intercalated hydrogen vibrons, we estimate the internal pressure to be ˜1 GPa at 10 GPa and ˜10 GPa at 50 GPa.

  4. Superconductivity in the alkali metal intercalates of molybdenum disulphide

    NASA Technical Reports Server (NTRS)

    Somoano, R. B.; Hadek, V.; Rembaum, A.

    1972-01-01

    The complete series of alkali metals, lithium through cesium, have been intercalated into molybdenum disulphide, using both the liquid ammonia and vapor techniques. All the intercalates with the exception of lithium yielded full superconducting transitions with onset temperatures of 6 K for AxMoS2(Ax=K,Rb,Cs) and 4 K for BxMoS2(Bx=Li,Na). The superconducting transition for lithium was incomplete down to 1.5 K. Stoichiometries and unit cell parameters have been determined for the intercalation compounds. Both rhombohedral and hexagonal polymorphs of MoS2 have been intercalated and found to exhibit the same superconductivity behavior. The nature of the extraneous superconducting transition of some intercalated samples on exposure to air was elucidated.

  5. Homogeneity of pristine and bromine intercalated graphite fibers

    NASA Technical Reports Server (NTRS)

    Gaier, J. R.; Marino, D.

    1985-01-01

    Wide variations in the resistivity of intercalated graphite fibers and to use these materials for electrical applications, their bulk properties must be established. The homogeneity of the diameter, the resistivity, and the mass density of 50 graphite fibers, before and after bromine intercalation was measured. Upon intercalation the diameter was found to expand by about 5%, the resistivity to decrease by a factor of five, and the density to increase by about 6%. Each individual fiber was found to have uniform diameter and resistivity over macroscopic regions for lengths as long as 7 cm. The ratio of pristine to intercalated resistivity increases as the pristine fiber diameter increases at a rate of 0.16 micron, but decreases with the increasing ratio of intercalated diameter to pristine diameter at a rate of 0.08.

  6. Quasi-freestanding graphene on Ni(111) by Cs intercalation

    NASA Astrophysics Data System (ADS)

    Alattas, M.; Schwingenschlögl, U.

    2016-05-01

    A possible approach to achieve quasi-freestanding graphene on a substrate for technological purpose is the intercalation of alkali metal atoms. Cs intercalation between graphene and Ni(111) therefore is investigated using density functional theory, incorporating van der Waals corrections. It is known that direct contact between graphene and Ni(111) perturbs the Dirac states. We find that Cs intercalation restores the linear dispersion characteristic of Dirac fermions, which agrees with experiments, but the Dirac cone is shifted to lower energy, i.e., the graphene sheet is n-doped. Cs intercalation therefore decouples the graphene sheet from the substrate except for a charge transfer. On the other hand, the spin polarization of Ni(111) does not extend through the intercalated atoms to the graphene sheet, for which we find virtually spin-degeneracy.

  7. Intercalation and controlled release properties of vitamin C intercalated layered double hydroxide

    NASA Astrophysics Data System (ADS)

    Gao, Xiaorui; Lei, Lixu; O'Hare, Dermot; Xie, Juan; Gao, Pengran; Chang, Tao

    2013-07-01

    Two drug-inorganic composites involving vitamin C (VC) intercalated in Mg-Al and Mg-Fe layered double hydroxides (LDHs) have been synthesized by the calcination-rehydration (reconstruction) method. Powder X-ray diffraction (XRD), Fourier transform infrared (FTIR), and UV-vis absorption spectroscopy indicate a successful intercalation of VC into the interlayer galleries of the LDH host. Studies of VC release from the LDHs in deionised water and in aqueous CO32- solutions imply that Mg3Al-VC LDH is a better controlled release system than Mg3Fe-VC LDH. Analysis of the release profiles using a number of kinetic models suggests a solution-dependent release mechanism, and a diffusion-controlled deintercalation mechanism in deionised water, but an ion exchange process in CO32- solution.

  8. Intercalation and controlled release properties of vitamin C intercalated layered double hydroxide

    SciTech Connect

    Gao, Xiaorui; Lei, Lixu; O'Hare, Dermot; Xie, Juan; Gao, Pengran; Chang, Tao

    2013-07-15

    Two drug-inorganic composites involving vitamin C (VC) intercalated in Mg–Al and Mg–Fe layered double hydroxides (LDHs) have been synthesized by the calcination–rehydration (reconstruction) method. Powder X-ray diffraction (XRD), Fourier transform infrared (FTIR), and UV–vis absorption spectroscopy indicate a successful intercalation of VC into the interlayer galleries of the LDH host. Studies of VC release from the LDHs in deionised water and in aqueous CO{sub 3}{sup 2−} solutions imply that Mg{sub 3}Al–VC LDH is a better controlled release system than Mg{sub 3}Fe–VC LDH. Analysis of the release profiles using a number of kinetic models suggests a solution-dependent release mechanism, and a diffusion-controlled deintercalation mechanism in deionised water, but an ion exchange process in CO{sub 3}{sup 2−} solution. - Graphical abstract: Vitamin C anions have been intercalated in the interlayer space of layered double hydroxide and released in CO{sub 3}{sup 2−} solution and deionised water. - Highlights: • Vitamin C intercalated Mg–Al and Mg–Fe layered double hydroxides were prepared. • Release property of vitamin C in aqueous CO{sub 3}{sup 2−} solution is better. • Avrami-Erofe’ev and first-order models provide better fit for release results. • Diffusion-controlled and ion exchange processes occur in deionised water. • An ion exchange process occurs in CO{sub 3}{sup 2−} solution.

  9. Synthesis and characterization of Mn intercalated Mg-Al hydrotalcite.

    PubMed

    Yang, Chengxue; Liao, Libing; Lv, Guocheng; Wu, Limei; Mei, Lefu; Li, Zhaohui

    2016-10-01

    Mn intercalated hydrotalcite was prepared using a reconstruction method. And Mn intercalation was confirmed by XRD, FTIR, and thermal analyses. The different valences of Mn were present as determined by XPS. Calcination slightly promoted the isomorphic replacement of Mn(2+) and Mn(3+) for Mg(2+) and Al(3+), especially the replacement of Mn(2+) for Mg(2+) and Al(3+), and to some extent, reduced Mn intercalation. Ultrasonic treatment significantly increased Mn intercalation in permanganate form (Mn(7+)), and promoted the replacement of Mn(2+) for Mg(2+) and Al(3+). XRF analysis showed that ultrasonic treatment decreased the unbalanced layer charge of Mn intercalated hydrotalcite, while prolonged calcination increased it. These results may provide guidance on the preparation and application of Mn intercalated hydrotalcite. Extended calcination time and ultrasonic vibration increased the interlayer spacing of hydrotalcite, as a result of reduction in layer charge. As the layer charge was not completely balanced after Mn intercalation, a certain amount of CO3(2-) was re-adsorbed into the interlayer space. Mn-hydrotalcites with different layer charges, different contents of Mn with varying valences are expected to have different performances in the process of adsorption, degradation, and catalysis. PMID:27380016

  10. Synthesis and characterization of Mn intercalated Mg-Al hydrotalcite.

    PubMed

    Yang, Chengxue; Liao, Libing; Lv, Guocheng; Wu, Limei; Mei, Lefu; Li, Zhaohui

    2016-10-01

    Mn intercalated hydrotalcite was prepared using a reconstruction method. And Mn intercalation was confirmed by XRD, FTIR, and thermal analyses. The different valences of Mn were present as determined by XPS. Calcination slightly promoted the isomorphic replacement of Mn(2+) and Mn(3+) for Mg(2+) and Al(3+), especially the replacement of Mn(2+) for Mg(2+) and Al(3+), and to some extent, reduced Mn intercalation. Ultrasonic treatment significantly increased Mn intercalation in permanganate form (Mn(7+)), and promoted the replacement of Mn(2+) for Mg(2+) and Al(3+). XRF analysis showed that ultrasonic treatment decreased the unbalanced layer charge of Mn intercalated hydrotalcite, while prolonged calcination increased it. These results may provide guidance on the preparation and application of Mn intercalated hydrotalcite. Extended calcination time and ultrasonic vibration increased the interlayer spacing of hydrotalcite, as a result of reduction in layer charge. As the layer charge was not completely balanced after Mn intercalation, a certain amount of CO3(2-) was re-adsorbed into the interlayer space. Mn-hydrotalcites with different layer charges, different contents of Mn with varying valences are expected to have different performances in the process of adsorption, degradation, and catalysis.

  11. Intercalation studies of zinc hydroxide chloride: Ammonia and amino acids

    SciTech Connect

    Arizaga, Gregorio Guadalupe Carbajal

    2012-01-15

    Zinc hydroxide chloride (ZHC) is a layered hydroxide salt with formula Zn{sub 5}(OH){sub 8}Cl{sub 2}{center_dot}2H{sub 2}O. It was tested as intercalation matrix for the first time and results were compared with intercalation products of the well-known zinc hydroxide nitrate and a Zn/Al layered double hydroxide. Ammonia was intercalated into ZHC, while no significant intercalation occurred in ZHN. Aspartic acid intercalation was only achieved by co-precipitation at pH=10 with ZHC and pH=8 with zinc hydroxide nitrate. Higher pH resistance in ZHC favored total deprotonation of both carboxylic groups of the Asp molecule. ZHC conferred more thermal protection against Asp combustion presenting exothermic peaks even at 452 Degree-Sign C while the exothermic event in ZHN was 366 Degree-Sign C and in the LDH at 276 Degree-Sign C. - Graphical abstract: The zinc hydroxide chloride (ZHC) with formula Zn{sub 5}(OH){sub 8}Cl{sub 2}{center_dot}2H{sub 2}O was tested as intercalation matrix. In comparison with the well-known zinc hydroxide nitrate (ZHN) and layered double hydroxides (LDH), ZHC was the best matrix for thermal protection of Asp combustion, presenting exothermic peaks even at 452 Degree-Sign C, while the highest exothermic event in ZHN was at 366 Degree-Sign C, and in the LDH it was at 276 Degree-Sign C. Highlights: Black-Right-Pointing-Pointer Zinc hydroxide chloride (ZHC) was tested as intercalation matrix for the first time. Black-Right-Pointing-Pointer ZHC has higher chemical and thermal stability than zinc hydroxide nitrate and LDH. Black-Right-Pointing-Pointer NH{sub 3} molecules can be intercalated into ZHC. Black-Right-Pointing-Pointer The amino group of amino acids limits the intercalation by ion-exchange.

  12. Prediction of superconductivity in Li-intercalated bilayer phosphorene

    SciTech Connect

    Huang, G. Q.; Xing, Z. W.; Xing, D. Y.

    2015-03-16

    It is shown that bilayer phosphorene can be transformed from a direct-gap semiconductor to a BCS superconductor by intercalating Li atoms. For the Li-intercalated bilayer phosphorene, we find that the electron occupation of Li-derived band is small and superconductivity is intrinsic. With increasing the intercalation of Li atoms, both increased metallicity and strong electron-phonon coupling are favorable for the enhancement of superconductivity. The obtained electron-phonon coupling λ can be larger than 1 and the superconducting temperature T{sub c} can be increased up to 16.5 K, suggesting that phosphorene may be a good candidate for a nanoscale superconductor.

  13. Dissecting the Dynamic Pathways of Stereoselective DNA Threading Intercalation.

    PubMed

    Almaqwashi, Ali A; Andersson, Johanna; Lincoln, Per; Rouzina, Ioulia; Westerlund, Fredrik; Williams, Mark C

    2016-03-29

    DNA intercalators that have high affinity and slow kinetics are developed for potential DNA-targeted therapeutics. Although many natural intercalators contain multiple chiral subunits, only intercalators with a single chiral unit have been quantitatively probed. Dumbbell-shaped DNA threading intercalators represent the next order of structural complexity relative to simple intercalators, and can provide significant insights into the stereoselectivity of DNA-ligand intercalation. We investigated DNA threading intercalation by binuclear ruthenium complex [μ-dppzip(phen)4Ru2](4+) (Piz). Four Piz stereoisomers are defined by the chirality of the intercalating subunit (Ru(phen)2dppz) and the distal subunit (Ru(phen)2ip), respectively, each of which can be either right-handed (Δ) or left-handed (Λ). We used optical tweezers to measure single DNA molecule elongation due to threading intercalation, revealing force-dependent DNA intercalation rates and equilibrium dissociation constants. The force spectroscopy analysis provided the zero-force DNA binding affinity, the equilibrium DNA-ligand elongation Δxeq, and the dynamic DNA structural deformations during ligand association xon and dissociation xoff. We found that Piz stereoisomers exhibit over 20-fold differences in DNA binding affinity, from a Kd of 27 ± 3 nM for (Δ,Λ)-Piz to a Kd of 622 ± 55 nM for (Λ,Δ)-Piz. The striking affinity decrease is correlated with increasing Δxeq from 0.30 ± 0.02 to 0.48 ± 0.02 nm and xon from 0.25 ± 0.01 to 0.46 ± 0.02 nm, but limited xoff changes. Notably, the affinity and threading kinetics is 10-fold enhanced for right-handed intercalating subunits, and 2- to 5-fold enhanced for left-handed distal subunits. These findings demonstrate sterically dispersed transition pathways and robust DNA structural recognition of chiral intercalators, which are critical for optimizing DNA binding affinity and kinetics. PMID:27028636

  14. Effect of structure variation of the aptamer-DNA duplex probe on the performance of displacement-based electrochemical aptamer sensors.

    PubMed

    Pang, Jie; Zhang, Ziping; Jin, Haizhu

    2016-03-15

    Electrochemical aptamer-based (E-AB) sensors employing electrode-immobilized, redox-tagged aptamer probes have emerged as a promising platform for the sensitive and quick detection of target analytes ranging from small molecules to proteins. Signal generation in this class of sensor is linked to change in electron transfer efficiency upon binding-induced change in flexibility/conformation of the aptamer probe. Because of this signaling mechanism, signal gains of these sensors can be improved by employing a displacement-based recognition system, which links target binding with a large-scale flexibility/conformation shift from the aptamer-DNA duplex to the single-stranded DNA or the native aptamer. Despite the relatively large number of displacement-based E-AB sensor samples, little attention has been paid to the structure variation of the aptamer-DNA duplex probe. Here we detail the effects of complementary length and position of the aptamer-DNA duplex probe on the performance of a model displacement-based E-AB sensor for ATP. We find that, greater background suppression and signal gain are observed with longer complementary length of the aptamer-DNA duplex probe. However, sensor equilibration time slows monotonically with increasing complementary length; and with too many target binding sites in aptamer sequence being occupied by the complementary DNA, the aptamer-target binding does not occur and no signal gain observed. We also demonstrate that signal gain of the displacement-based E-AB sensor is strongly dependent on the complementary position of the aptamer-DNA duplex probe, with complementary position located at the electrode-attached or redox-tagged end of the duplex probe, larger background suppression and signal increase than that of the middle position are observed. These results highlight the importance of rational structure design of the aptamer-DNA duplex probe and provide new insights into the optimization of displacement-based E-AB sensors.

  15. Intercalated samarium as an agent enabling the intercalation of oxygen under a monolayer graphene film on iridium

    NASA Astrophysics Data System (ADS)

    Afanas'eva, E. Yu.; Rut'kov, E. V.; Gall', N. R.

    2016-06-01

    Using thermal desorption time-of-flight mass spectrometry and thermionic methods, it is shown that oxygen does not intercalate under a graphene monolayer grown correctly on iridium, at least at temperatures of T = 300-400 K and exposures below 12000 L. However, if the graphene film on iridium is preliminary intercalated with samarium atoms (up to coverage of θSm = 0.2-0.45), the penetration of oxygen atoms under the graphene film is observed. The oxygen atoms in the intercalated state are chemically bonded to samarium atoms and remain under graphene up to high temperatures (~2150 K).

  16. Method for intercalating alkali metal ions into carbon electrodes

    DOEpatents

    Doeff, M.M.; Ma, Y.; Visco, S.J.; DeJonghe, L.

    1995-08-22

    A low cost, relatively flexible, carbon electrode for use in a secondary battery is described. A method is provided for producing same, including intercalating alkali metal salts such as sodium and lithium into carbon.

  17. Influence of interlayer cations on organic intercalation of montmorillonite.

    PubMed

    Wu, Limei; Liao, Libing; Lv, Guocheng

    2015-09-15

    The influence of the types of interlayer cations on organic intercalation of montmorillonite (Mt) was studied in this paper. The distribution of Na(+), K(+), Mg(2+), Ca(2+) and Fe(3+) in montmorillonite interlayer, their interaction with structure layers and the effect of interlayer cations on the basal spacing of Mt, the amount of binding water for different interlayer cations and the binding force between them were investigated systematically. 1-Hexadecy1-3-methylimidazolium chloride monohydrate (C16mimCl) was intercalated into montmorillonites with different interlayer cations. The influence of interlayer cations on organic intercalation was investigated. Molecular dynamics (MD) modeling was used to speculate the interlayer microstructures of the organically intercalated Mt with different interlayer cations. These simulations help to predict the microstructure of organo-Mt and guide their relevant engineering applications. PMID:26001131

  18. Method for intercalating alkali metal ions into carbon electrodes

    DOEpatents

    Doeff, Marca M.; Ma, Yanping; Visco, Steven J.; DeJonghe, Lutgard

    1995-01-01

    A low cost, relatively flexible, carbon electrode for use in a secondary battery is described. A method is provided for producing same, including intercalating alkali metal salts such as sodium and lithium into carbon.

  19. Electronic properties of carbon fibers intercalated with copper chloride

    NASA Technical Reports Server (NTRS)

    Oshima, H.; Natarajan, V.; Woollam, J. A.; Yavrouian, A.; Haugland, E. J.; Tsuzuku, T.

    1984-01-01

    Copper chloride intercalated pitch-based carbon fibers are found to have electrical resistivities as low as 12.9 micro-ohm-cm, and are air- and thermally-stable at and above room temperature. This is therefore a good candidate system for conductor application. In addition, Shubnikov-deHaas quantum oscillatory effects were found, and electronic properties of the intercalated fiber are studied using magnetic fields to 20 tesla.

  20. Cation intercalation in sputter-deposited W oxide films

    NASA Astrophysics Data System (ADS)

    Strømme Mattsson, Maria

    1998-10-01

    Intercalation of Li, Na, and K ions into sputtered amorphous and monoclinic W oxide has been studied electrochemically and by x-ray diffraction. It was found that both Li and K intercalation, at low concentrations, caused a phase separation in the crystalline W oxide, while Na intercalation, at low concentrations, accurately followed the lattice-gas model [A. J. Berlinsky, W. G. Unruh, W. R. McKinnon, and R. R. Haering, Solid State Commun. 31, 135 (1979)]. The lattice-gas model was also used to extract information about the electrochemical response at high concentrations of all three types of intercalants. At low concentrations the net interaction between the intercalated ions was found to be attractive, while at higher concentrations the interaction was repulsive. Intercalation of alkali ions into amorphous W oxide could be modeled with a Gaussian distribution of site energies. The distribution of Li ions was found to be narrower and peaked at a lower energy than that of Na and K ions.

  1. Obtaining graphene nanoplatelets from various graphite intercalation compounds

    NASA Astrophysics Data System (ADS)

    Melezhyk, A.; Galunin, E.; Memetov, N.

    2015-11-01

    The work compares the exfoliation ability of different graphite materials (expanded graphite intercalation compound, thermally expanded and oxidatively intercalated graphites) and describes the properties of graphene nanoplatelets (GNPs) obtained dependently on intercalation/deintercalation conditions and reagents. Among the studied materials, the graphite intercalated with ammonium persulfate in sulfuric acid and expanded at 40 °C possesses the maximum ability for ultrasonic exfoliation in the presence of a surfactant. The exfoliation efficiency strongly depends on the content of water in sulfuric acid during the intercalation. The highest efficiency was achieved for the expanded graphite intercalation compound (EGIC) prepared in sulfuric acid containing diluted oleum, which may be explained by increased acidity of the medium and, correspondingly, redox potential of the persulfate compound. This is also related to increased amounts of oxygen groups in the GNPs obtained from the EGIC synthesized in 100% sulfuric acid and diluted oleum. Besides, the nature of surface groups on the GNPs strongly depends on the nature of a deintercalating reagent. Thus, the treatment of the EGIC with different nucleophilic molecules (such as water, ammonia, carbamide, hexamethylenetetramine, organic amines, etc.) can yield GNPs with various surface groups. The interaction between the EGIC and nucleophilic molecules does not only include the substitution of sulfate groups, but also redox reactions with participation of graphene layers. Depending on the nature of the nucleophile, those reactions can lead to the formation of different groups attached to the graphene surface. GNPs with almost pure surface were obtained when using ammonia and carbamide.

  2. Stochastic Terminal Dynamics in Epithelial Cell Intercalation

    NASA Astrophysics Data System (ADS)

    Eule, Stephan; Metzger, Jakob; Reichl, Lars; Kong, Deqing; Zhang, Yujun; Grosshans, Joerg; Wolf, Fred

    2015-03-01

    We found that the constriction of epithelial cell contacts during intercalation in germ band extension in Drosophila embryos follows intriguingly simple quantitative laws. The mean contact length < L > follows < L > (t) ~(T - t) α , where T is the finite collapse time; the time dependent variance of contact length is proportional to the square of the mean; finally the time dependent probability density of the contact lengths remains close to Gaussian during the entire process. These observations suggest that the dynamics of contact collapse can be captured by a stochastic differential equation analytically tractable in small noise approximation. Here, we present such a model, providing an effective description of the non-equilibrium statistical mechanics of contact collapse. All model parameters are fixed by measurements of time dependent mean and variance of contact lengths. The model predicts the contact length covariance function that we obtain in closed form. The contact length covariance function closely matches experimental observations suggesting that the model well captures the dynamics of contact collapse.

  3. Discriminating Intercalative Effects of Threading Intercalator Nogalamycin, from Classical Intercalator Daunomycin, Using Single Molecule Atomic Force Spectroscopy

    PubMed Central

    Sett, S.; Ghosh, S.; Rakshit, T.; Mukhopadhyay, R.

    2016-01-01

    DNA threading intercalators are a unique class of intercalating agents, albeit little biophysical information is available on their intercalative actions. Herein, the intercalative effects of nogalamycin, which is a naturally-occurring DNA threading intercalator, have been investigated by high-resolution atomic force microscopy (AFM) and spectroscopy (AFS). The results have been compared with those of the well-known chemotherapeutic drug daunomycin, which is a non-threading classical intercalator bearing structural similarity to nogalamycin. A comparative AFM assessment revealed a greater increase in DNA contour length over the entire incubation period of 48 h for nogalamycin treatment, whereas the contour length increase manifested faster in case of daunomycin. The elastic response of single DNA molecules to an externally applied force was investigated by the single molecule AFS approach. Characteristic mechanical fingerprints in the overstretching behaviour clearly distinguished the nogalamycin/daunomycin-treated dsDNA from untreated dsDNA—the former appearing less elastic than the latter, and the nogalamycin-treated DNA distinguished from the daunomycin-treated DNA—the classically intercalated dsDNA appearing the least elastic. A single molecule AFS-based discrimination of threading intercalation from the classical type is being reported for the first time. PMID:27183010

  4. Space Discovery.

    ERIC Educational Resources Information Center

    Blackman, Joan

    1998-01-01

    Describes one teacher's experience taking Space Discovery courses that were sponsored by the United States Space Foundation (USSF). These courses examine the history of space science, theory of orbits and rocketry, the effects of living in outer space on humans, and space weather. (DDR)

  5. The preliminary feasibility of intercalated graphite railgun armatures

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Gooden, Clarence E.; Yashan, Doreen; Naud, Steve

    1991-01-01

    Graphite intercalation compounds may provide an excellent material for the fabrication of electromagnetic railgun armatures. As a pulse of power is fed into the armature the intercalate could be excited into the plasma state around the edges of the armature, while the bulk of the current would be carried through the graphite block. Such an armature would have both diffuse plasma armatures and bulk conduction armatures. In addition, the highly anisotropic nature of these materials could enable the electrical and thermal conductivity to be tailored to meet the specific requirements of electromagnetic railgun armatures. Preliminary investigations have been performed in an attempt to determine the feasibility of using graphite intercalation compounds as railgun armatures. Issues of fabrication, resistivity, stability, and electrical current spreading have been addressed for the case of highly oriented pyrolytic graphite.

  6. Electrochemical synthesis of alkali-intercalated iron selenide superconductors

    NASA Astrophysics Data System (ADS)

    Shen, Shi-Jie; Ying, Tian-Ping; Wang, Gang; Jin, Shi-Feng; Zhang, Han; Lin, Zhi-Ping; Chen, Xiao-Long

    2015-11-01

    Electrochemical method has been used to insert K/Na into FeSe lattice to prepare alkali-intercalated iron selenides at room temperature. Magnetization measurement reveals that KxFe2Se2 and NaxFe2Se2 are superconductive at 31 K and 46 K, respectively. This is the first successful report of obtaining metal-intercalated FeSe-based high-temperature superconductors using electrochemical method. It provides an effective route to synthesize metal-intercalated layered compounds for new superconductor exploration. Project supported by the National Natural Science Foundation of China (Grant Nos. 51322211and 91422303), the Strategic Priority Research Program (B) of the Chinese Academy of Sciences (Grant No. XDB07020100), Beijing Nova Program of China (Grant No. 2011096), and K. C. Wong Education Foundation, Hong Kong, China.

  7. Progressive specification rather than intercalation of segments during limb regeneration.

    PubMed

    Roensch, Kathleen; Tazaki, Akira; Chara, Osvaldo; Tanaka, Elly M

    2013-12-13

    An amputated salamander limb regenerates the correct number of segments. Models explaining limb regeneration were largely distinct from those for limb development, despite the presence of common patterning molecules. Intercalation has been an important concept to explain salamander limb regeneration, but clear evidence supporting or refuting this model was lacking. In the intercalation model, the first blastema cells acquire fingertip identity, creating a gap in positional identity that triggers regeneration of the intervening region from the stump. We used HOXA protein analysis and transplantation assays to show that axolotl limb blastema cells acquire positional identity in a proximal-to-distal sequence. Therefore, intercalation is not the primary mechanism for segment formation during limb regeneration in this animal. Patterning in development and regeneration uses similar mechanisms. PMID:24337297

  8. Tethered naphthalene diimide intercalators enhance DNA triplex stability.

    PubMed

    Gianolio, D A; McLaughlin, L W

    2001-09-01

    Naphthalene diimides function as effective intercalators and when tethered to the 5'-terminus of a pyrimidine-rich oligonucleotide can contribute significantly to the overall stabilization of DNA triplexes. This stabilization can be further enhanced by alterations to the linker tethering the DNA sequence and the intercalator. Less flexible linkers, and particularly one with a phenyl ring present, appear to permit the stabilization afforded by the bound intercalator to be transferred more effectively to the three-stranded complex. The conjugate containing the phenyl linker exhibits a T(M) value that is increased by 28 degrees C relative to the unconjugated triplex. That the linker itself contributes to the observed stabilization is clear since introduction of the phenyl linker increases the observed T(M) by 11 degrees C relative to a simple flexible linker.

  9. Band gap opening in bilayer silicene by alkali metal intercalation.

    PubMed

    Liu, Hongsheng; Han, Nannan; Zhao, Jijun

    2014-11-26

    Recently, bilayer and multilayer silicene have attracted increased attention following the boom of silicene, which holds great promise for future applications in microelectronic devices. Herein we systematically investigate all stacking configurations of bilayer silicene and the corresponding electronic properties. Strong coupling is found between two silicene layers, which destroys the Dirac cones in the band structures of pristine silicene and makes bilayer silicene sheets metallic. However, intercalation of alkali metal (especially potassium) can effectively decouple the interaction between two silicene layers. In the K-intercalated bilayer silicene (KSi4), the Dirac cones are recovered with a small band gap of 0.27 eV located about 0.55 eV below the Fermi level. Furthermore, intercalation of K(+) cations in bilayer silicene (K(+)Si4) results in a semiconductor with a moderate band gap of 0.43 eV, making it ideal for microelectronic applications.

  10. Preparation of graphite intercalation compounds containing oligo and polyethers

    NASA Astrophysics Data System (ADS)

    Zhang, Hanyang; Lerner, Michael M.

    2016-02-01

    Layered host-polymer nanocomposites comprising polymeric guests between inorganic sheets have been prepared with many inorganic hosts, but there is limited evidence for the incorporation of polymeric guests into graphite. Here we report for the first time the preparation, and structural and compositional characterization of graphite intercalation compounds (GICs) containing polyether bilayers. The new GICs are obtained by either (1) reductive intercalation of graphite with an alkali metal in the presence of an oligo or polyether and an electrocatalyst, or (2) co-intercalate exchange of an amine for an oligo or polyether in a donor-type GIC. Structural characterization of products using powder X-ray diffraction, Raman spectroscopy, and thermal analyses supports the formation of well-ordered, first-stage GICs containing alkali metal cations and oligo or polyether bilayers between reduced graphene sheets.Layered host-polymer nanocomposites comprising polymeric guests between inorganic sheets have been prepared with many inorganic hosts, but there is limited evidence for the incorporation of polymeric guests into graphite. Here we report for the first time the preparation, and structural and compositional characterization of graphite intercalation compounds (GICs) containing polyether bilayers. The new GICs are obtained by either (1) reductive intercalation of graphite with an alkali metal in the presence of an oligo or polyether and an electrocatalyst, or (2) co-intercalate exchange of an amine for an oligo or polyether in a donor-type GIC. Structural characterization of products using powder X-ray diffraction, Raman spectroscopy, and thermal analyses supports the formation of well-ordered, first-stage GICs containing alkali metal cations and oligo or polyether bilayers between reduced graphene sheets. Electronic supplementary information (ESI) available: Domain size, additional Raman spectra info, compositional calculation, and packing fractions. See DOI: 10.1039/c5

  11. Intercalation of paracetamol into the hydrotalcite-like host

    SciTech Connect

    Kovanda, Frantisek; Maryskova, Zuzana; Kovar, Petr

    2011-12-15

    Hydrotalcite-like compounds are often used as host structures for intercalation of various anionic species. The product intercalated with the nonionic, water-soluble pharmaceuticals paracetamol, N-(4-hydroxyphenyl)acetamide, was prepared by rehydration of the Mg-Al mixed oxide obtained by calcination of hydrotalcite-like precursor at 500 Degree-Sign C. The successful intercalation of paracetamol molecules into the interlayer space was confirmed by powder X-ray diffraction and infrared spectroscopy measurements. Molecular simulations showed that the phenolic hydroxyl groups of paracetamol interact with hydroxide sheets of the host via the hydroxyl groups of the positively charged sites of Al-containing octahedra; the interlayer water molecules are located mostly near the hydroxide sheets. The arrangement of paracetamol molecules in the interlayer is rather disordered and interactions between neighboring molecules cause their tilting towards the hydroxide sheets. Dissolution tests in various media showed slower release of paracetamol intercalated in the hydrotalcite-like host in comparison with tablets containing the powdered pharmaceuticals. - Graphical abstract: Molecular simulations showed disordered arrangement of paracetamol molecules in the interlayer; most of the interlayer water molecules are located near the hydroxide sheets. Black-Small-Square Highlights: Black-Right-Pointing-Pointer Paracetamol was intercalated in Mg-Al hydrotalcite-like host by rehydration/reconstruction procedure. Black-Right-Pointing-Pointer Paracetamol phenolic groups interact with positively charged sites in hydroxide sheets. Black-Right-Pointing-Pointer Molecular simulations showed disordered arrangement of guest molecules in the interlayer. Black-Right-Pointing-Pointer Slower release of paracetamol intercalated in the hydrotalcite-like host was observed.

  12. Revisiting the domain model for lithium intercalated graphite

    SciTech Connect

    Krishnan, Sridevi; Brenet, Gilles; Caliste, Damien; Genovese, Luigi; Deutsch, Thierry; Pochet, Pascal

    2013-12-16

    In this Letter, we study the stability of the domain model for lithium intercalated graphite in stages III and II by means of Density Functional Theory and Kinetic Lattice Monte Carlo simulations. We find that the domain model is either thermodynamically or kinetically stable when compared to the standard model in stages III and II. The existence of domains in the intercalation sequence is well supported by recent high resolution transmission electron microscope observations in lithiated graphite. Moreover, we predict that such domain staging sequences leads to a wide range of diffusivity as reported in experiments.

  13. Design and synthesis of threading intercalators to target DNA.

    PubMed

    Howell, Lesley A; Gulam, Rosul; Mueller, Anja; O'Connell, Maria A; Searcey, Mark

    2010-12-01

    Threading intercalators are high affinity DNA binding agents that bind by inserting a chromophore into the duplex and locating one group in each groove. The first threading intercalators that can be conjugated to acids, sulfonic acids and peptides to target them to duplex DNA are described, based upon the well studied acridine-3- or 4-carboxamides. Cellular uptake of the parent acridine is rapid and it can be visualized in the nucleus of cells. Both the parent compounds and their conjugates maintain antitumor activity.

  14. Another morphogenetic movement on the map: Charting dorsal intercalation in C. elegans.

    PubMed

    Walck-Shannon, Elise; Hardin, Jeff

    2016-01-01

    Dorsal intercalation is a coordinated cell migration event that rearranges hypodermal cells during C. elegans embryogenesis, and that resembles cell intercalation in many systems from flies to mice. Despite its conservation, the molecular mechanisms that govern dorsal intercalation in worms have remained elusive. Here, we comment on our recent publication, Walck-Shannon et al.,(1) which begins to spatially map the molecular requirements for intercalation. First, we provide a historical perspective on the factors that have previously hampered the study of dorsal intercalation. Next, we provide a summary of the molecular pathways identified in Walck-Shannon et al.,(1) pointing out surprises along the way. Finally, we consider the potential conservation of the molecular pathway we described and discuss future questions surrounding dorsal intercalation. Despite the challenges, dorsal intercalation is a process poised to advance our understanding of cell intercalation during morphogenesis throughout the animal kingdom. PMID:27385264

  15. Improving the mechanical properties of single-walled carbon nanotube sheets by intercalation of polymeric adhesives

    NASA Astrophysics Data System (ADS)

    Coleman, Jonathan N.; Blau, Werner J.; Dalton, Alan B.; Muñoz, Edgar; Collins, Steve; Kim, Bog G.; Razal, Joselito; Selvidge, Miles; Vieiro, Guillermo; Baughman, Ray H.

    2003-03-01

    Organic polymers, such as poly(vinyl alcohol), poly(vinyl pyrrolidone), and poly(styrene), were intercalated into single-walled carbon nanotube sheets by soaking the sheets in polymer solutions. Even for short soak times, significant polymer intercalation into existing free volume was observed. Tensile tests on intercalated sheets showed that the Young's modulus, strength, and toughness increased by factors of 3, 9, and 28, respectively, indicating that the intercalated polymer enhances load transmission between nanotubes.

  16. Cosmic Discovery

    NASA Astrophysics Data System (ADS)

    Harwit, Martin

    1984-04-01

    In the remarkable opening section of this book, a well-known Cornell astronomer gives precise thumbnail histories of the 43 basic cosmic discoveries - stars, planets, novae, pulsars, comets, gamma-ray bursts, and the like - that form the core of our knowledge of the universe. Many of them, he points out, were made accidentally and outside the mainstream of astronomical research and funding. This observation leads him to speculate on how many more major phenomena there might be and how they might be most effectively sought out in afield now dominated by large instruments and complex investigative modes and observational conditions. The book also examines discovery in terms of its political, financial, and sociological context - the role of new technologies and of industry and the military in revealing new knowledge; and methods of funding, of peer review, and of allotting time on our largest telescopes. It concludes with specific recommendations for organizing astronomy in ways that will best lead to the discovery of the many - at least sixty - phenomena that Harwit estimates are still waiting to be found.

  17. Layered Compounds and Intercalation Chemistry: An Example of Chemistry and Diffusion in Solids.

    ERIC Educational Resources Information Center

    Whittingham, M. Stanley; Chianelli, Russell R.

    1980-01-01

    Considers a few areas of oxide/sulfide and intercalation-type chemistry. Discusses synthesis of the disulfides of the metals of group IVB, VB, and VIB; the intercalation reaction between lithium and titanium disulfide; other intercalates; and sulfide catalysts. (CS)

  18. Preparation and properties of hydrogen-intercalated indium and gallium monoselenides

    SciTech Connect

    Koz'mik, I.D.; Kovalyuk, Z.D.; Grigorchak, I.I.; Bakhmatyuk, B.P.

    1987-10-01

    Indium and gallium monoselenides can be intercalated by hydrogen ions. Thermodynamic parameters have been calculated for the intercalation and the proton diffusion coefficient in the van der Waals' spaces has been determined. The effects of hydrogen intercalation on the resistance perpendicular to the layers in InSe and GaSe have been determined.

  19. Intercalation, DNA Kinking, and the Control of Transcription

    NASA Astrophysics Data System (ADS)

    Werner, Milton H.; Gronenborn, Angela M.; Marius Clore, G.

    1996-02-01

    Biological processes involved in the control and regulation of transcription are dependent on protein-induced distortions in DNA structure that enhance the recruitment of proteins to their specific DNA targets. This function is often accomplished by accessory factors that bind sequence specifically and locally bend or kink the DNA. The recent determination of the three-dimensional structures of several protein-DNA complexes, involving proteins that perform such architectural tasks, brings to light a common theme of side chain intercalation as a mechanism capable of driving the deformation of the DNA helix. The protein scaffolds orienting the intercalating side chain (or side chains) are structurally diverse, presently comprising four distinct topologies that can accomplish the same task. The intercalating side chain (or side chains), however, is exclusively hydrophobic. Intercalation can either kink or bend the DNA, unstacking one or more adjacent base pairs and locally unwinding the DNA over as much as a full turn of helix. Despite these distortions, the return to B-DNA helical parameters generally occurs within the adjacent half-turns of DNA.

  20. High-rate electrochemical energy storage through Li+ intercalation pseudocapacitance.

    PubMed

    Augustyn, Veronica; Come, Jérémy; Lowe, Michael A; Kim, Jong Woung; Taberna, Pierre-Louis; Tolbert, Sarah H; Abruña, Héctor D; Simon, Patrice; Dunn, Bruce

    2013-06-01

    Pseudocapacitance is commonly associated with surface or near-surface reversible redox reactions, as observed with RuO2·xH2O in an acidic electrolyte. However, we recently demonstrated that a pseudocapacitive mechanism occurs when lithium ions are inserted into mesoporous and nanocrystal films of orthorhombic Nb2O5 (T-Nb2O5; refs 1,2). Here, we quantify the kinetics of charge storage in T-Nb2O5: currents that vary inversely with time, charge-storage capacity that is mostly independent of rate, and redox peaks that exhibit small voltage offsets even at high rates. We also define the structural characteristics necessary for this process, termed intercalation pseudocapacitance, which are a crystalline network that offers two-dimensional transport pathways and little structural change on intercalation. The principal benefit realized from intercalation pseudocapacitance is that high levels of charge storage are achieved within short periods of time because there are no limitations from solid-state diffusion. Thick electrodes (up to 40 μm thick) prepared with T-Nb2O5 offer the promise of exploiting intercalation pseudocapacitance to obtain high-rate charge-storage devices.

  1. Intercalation of papain enzyme into hydrotalcite type layered double hydroxide

    NASA Astrophysics Data System (ADS)

    Zou, N.; Plank, J.

    2012-09-01

    Intercalation of proteolytic enzyme papain into hydrotalcite type LDH structure was achieved by controlled co-precipitation at pH=9.0 in the presence of papain. Characterization of the MgAl-papain-LDH phase was carried out using X-ray powder diffraction (XRD), elemental analysis, infrared spectroscopy (IR) and thermogravimetry (TG). According to XRD, papain was successfully intercalated. The d-value for the basal spacing of MgAl-papain-LDH was found at ˜5.3 nm. Consequently, original papain (hydrodynamic diameter ˜7.2 nm) attains a compressed conformation during intercalation.Formation of MgAl-papain-LDH was confirmed by elemental analysis and transmission electron microscopy (TEM). Under SEM, MgAl-papain-LDH phases appear as nanothin platelets which are intergrown to flower-like aggregates. Steric size and activity of the enzyme was retained after deintercalation from MgAl-LDH framework, as was evidenced by light scattering and UV/vis measurements. Thus, papain is not denatured during intercalation, and LDH is a suitable host structure which can provide a time-controlled release of the biomolecule.

  2. Tethered naphthalene diimide-based intercalators for DNA triplex stabilization.

    PubMed

    Gianolio, D A; Segismundo, J M; McLaughlin, L W

    2000-05-15

    The synthesis and triplex stabilizing properties of oligodeoxyribonucleotides functionalized at the 5'- and/or 3'-termini with a naphthalene diimide-based (NDI) intercalator is described. The NDI intercalator was prepared in a single step from the corresponding dianhydride and was attached to the 5'-terminus of an oligodeoxyribonucleotide following a reverse coupling procedure. The DMT protecting group was removed and the sequence phosphitylated to generate the phosphoramidite derivative on the 5'-terminus of the support-bound oligodeoxyribonucleotide. The NDI intercalator with a free hydroxyl was then added in the presence of tetrazole. Attachment of the NDI to the 3'-terminus relied upon a tethered amino group that could be functionalized first with the naphthalene dianhydride, which was subsequently converted to the diimide. Using both procedures, an oligonucleo-tide conjugate was prepared having the NDI intercalator at both the 5'- and 3'-termini. Thermal denaturation studies were used to determine the remarkable gain in stability for triplexes formed when the NDI-conjugated oligonucleotide was present as the third strand in the complex.

  3. Exfoliation of Hexagonal Boron Nitride via Ferric Chloride Intercalation

    NASA Technical Reports Server (NTRS)

    Hung, Ching-cheh; Hurst, Janet; Santiago, Diana; Rogers, Richard B.

    2014-01-01

    Sodium fluoride (NaF) was used as an activation agent to successfully intercalate ferric chloride (FeCl3) into hexagonal boron nitride (hBN). This reaction caused the hBN mass to increase by approx.100 percent, the lattice parameter c to decrease from 6.6585 to between 6.6565 and 6.6569 ?, the x-ray diffraction (XRD) (002) peak to widen from 0.01deg to 0.05deg of the full width half maximum value, the Fourier transform infrared (FTIR) spectrum's broad band (1277/cm peak) to change shape, and new FTIR bands to emerge at 3700 to 2700 and 1600/cm. This indicates hBN's structural and chemical properties are significantly changed. The intercalated product was hygroscopic and interacted with moisture in the air to cause further structural and chemical changes (from XRD and FTIR). During a 24-h hold at room temperature in air with 100 percent relative humidity, the mass increased another 141 percent. The intercalated product, hydrated or not, can be heated to 750 C in air to cause exfoliation. Exfoliation becomes significant after two intercalation-air heating cycles, when 20-nm nanosheets are commonly found. Structural and chemical changes indicated by XRD and FTIR data were nearly reversed after the product was placed in hydrochloric acid (HCl), resulting in purified, exfoliated, thin hBN products.

  4. Tethered naphthalene diimide-based intercalators for DNA triplex stabilization

    PubMed Central

    Gianolio, Diego A.; Segismundo, Joanna M.; McLaughlin, Larry W.

    2000-01-01

    The synthesis and triplex stabilizing properties of oligodeoxyribonucleotides functionalized at the 5′- and/or 3′-termini with a naphthalene diimide-based (NDI) intercalator is described. The NDI intercalator was prepared in a single step from the corresponding dianhydride and was attached to the 5′-terminus of an oligodeoxyribonucleotide following a reverse coupling procedure. The DMT protecting group was removed and the sequence phosphitylated to generate the phosphoramidite derivative on the 5′-terminus of the support-bound oligodeoxyribonucleotide. The NDI intercalator with a free hydroxyl was then added in the presence of tetrazole. Attachment of the NDI to the 3′-terminus relied upon a tethered amino group that could be functionalized first with the naphthalene dianhydride, which was subsequently converted to the diimide. Using both procedures, an oligonucleotide conjugate was prepared having the NDI intercalator at both the 5′- and 3′-termini. Thermal denaturation studies were used to determine the remarkable gain in stability for triplexes formed when the NDI-conjugated oligonucleotide was present as the third strand in the complex. PMID:10773082

  5. Intercalation of paracetamol into the hydrotalcite-like host

    NASA Astrophysics Data System (ADS)

    Kovanda, František; Maryšková, Zuzana; Kovář, Petr

    2011-12-01

    Hydrotalcite-like compounds are often used as host structures for intercalation of various anionic species. The product intercalated with the nonionic, water-soluble pharmaceuticals paracetamol, N-(4-hydroxyphenyl)acetamide, was prepared by rehydration of the Mg-Al mixed oxide obtained by calcination of hydrotalcite-like precursor at 500 °C. The successful intercalation of paracetamol molecules into the interlayer space was confirmed by powder X-ray diffraction and infrared spectroscopy measurements. Molecular simulations showed that the phenolic hydroxyl groups of paracetamol interact with hydroxide sheets of the host via the hydroxyl groups of the positively charged sites of Al-containing octahedra; the interlayer water molecules are located mostly near the hydroxide sheets. The arrangement of paracetamol molecules in the interlayer is rather disordered and interactions between neighboring molecules cause their tilting towards the hydroxide sheets. Dissolution tests in various media showed slower release of paracetamol intercalated in the hydrotalcite-like host in comparison with tablets containing the powdered pharmaceuticals.

  6. Kinetics of the Formation of Intercalation Compounds in Crystalline Graphite

    NASA Technical Reports Server (NTRS)

    Sharma, P. K.; Hickey, G. S.

    1995-01-01

    Crystalline graphite has a structure that can be best described as an ordered stack of flat aromatic layers. It is known to form intercalation compounds with bromine and nitric acid. Their formation was studied using thermal measurements and analytical techniques. Samples of graphite treated with either bromine or nitric acid were prepared by contacting these reagents with powdered graphite.

  7. Technical Report-Final-Electrochemistry of Nanostructured Intercalation Hosts

    SciTech Connect

    Professor William H. Smyrl, Principal Investigator

    2009-03-09

    We have shown that: (1) Li+ ions are inserted reversibly, without diffusion control, up to the level of at least 4 moles Li+ ions per mole for V2O5, in the aerogel (ARG) form (500 m2/g specific surface area) and aerogel-like (ARG-L) form (200 m2/g specific surface area)(6,7,1,2); (2) polyvalent cations (Al+3, Mg+2, Zn+2) may be intercalated reversibly into V2O5 (ARG) with high capacity (approaching 4 equivalents/mole V2O5 (ARG)) for each (5); (3) dopant cations such as Ag+ and Cu+2 increase the conductivity of V2O5 (XRG) up to three orders of magnitude(3), they are electrochemically active – showing reduction to the metallic-state in parallel to intercalation of Li+ ions – but are not released to the electrolyte upon oxidation and Li+ ion release (Cu+2 ions are reduced to Cu metal and reoxidized to Cu+2 in Li+ ion insertion/release cycles, but the copper ions are not released to the electrolyte over more than 400 cycles of the XRG form); (4) we have shown that Cu+2 ion (dopant) and Zn+2 ions (chemical insertion and dopant) occupy the same intercalation site inV2O5 xerogel and aerogel(4); (5) the reversible intercalation of Zn+2, Mg+2, and Al+3 in the ARG(11) indicates that these cations are “mobile”, but that Cu+2 ions and Ag+ ions are “immobile” in the xerogel, i.e., the latter ions are not exchanged with the electrolyte in Li+ ion intercalation cycling(3).

  8. Electrochemical Na-intercalation-induced high-temperature superconductivity in FeSe

    NASA Astrophysics Data System (ADS)

    Kajita, Tetsuya; Kawamata, Takayuki; Noji, Takashi; Hatakeda, Takehiro; Kato, Masatsune; Koike, Yoji; Itoh, Takashi

    2015-12-01

    Iron-chalcogenide-based superconductors have attracted much attention due to their relatively high superconducting transition temperatures (Tc) and their simple layered crystal structures. We have performed electrochemical co-intercalation of Na and propylene carbonate (PC) into FeSe, and successfully synthesized a new superconductor, Nax(PC)yFe2Se2, with Tc = 43 K. The type and amount of intercalated metal, and the electrolyte used in the intercalation affected the superconductivity. Our electrochemical intercalation method should be a useful tool for discovering new superconductors by controlling the intercalation conditions.

  9. Intercalation of organic molecules into SnS{sub 2} single crystals

    SciTech Connect

    Toh, M.L.; Tan, K.J.; Wei, F.X.; Zhang, K.K.; Jiang, H.; Kloc, C.

    2013-02-15

    SnS{sub 2} is a layered semiconductor with a van der Waals gap separating the covalently bonded layers. In this study, post-synthesis intercalation of donor organic amine molecules, such as ethylenediamine (en), into tin disulfide and secondary intercalation of p-phenylenediamine (PPD) and 1, 5-naphthalenediamine (NDA) into SnS{sub 2e}n have been verified with X-ray diffraction. PPD and NDA did not intercalate directly even during prolonged annealing but replaced en readily if en was already present in the van der Waals gap. The c-lattice dilation is proportional to the intercalant size. Unit cell lattices of intercalated products were determined from the positions of the X-ray diffraction peaks. Optical images taken during the intercalation showed that intercalation progressed from the periphery towards the interior of the crystal. TEM diffraction patterns in the [0 0 1] direction of SnS{sub 2} after intercalation revealed defects and stacking mismatches among the SnS{sub 2} layers caused by the intercalation. UV-Vis absorption studies showed a red shift in the band edge of the SnS{sub 2} material after intercalation. The band edge was 2.2 eV for pristine SnS{sub 2}; after intercalation with en or PPD, the absorbance spectra band edges shifted to approximately 0.7 eV or 0.5 eV, respectively. - Graphical Abstract: SnS{sub 2} single crystals were intercalated with organic amine molecules such as ethylenediamine, phenylenediamine and naphthalenediamine. Absorption studies showed red shift of band edge after intercalation, which was consistent with optical observations. X-ray diffraction indicated lattice dilation in the c-lattice of SnS{sub 2} after intercalation. Highlights: Black-Right-Pointing-Pointer Organic molecules intercalated inhomogenously between covalently bonded SnS{sub 2} layers. Black-Right-Pointing-Pointer Ethylenediamine (en) intercalate directly into SnS{sub 2}. Black-Right-Pointing-Pointer Phenylenediamine (PPD) and naphthalenediamine (NDA) can be

  10. Multi-layer and multi-component intercalation at the graphene/Ir(111) interface

    NASA Astrophysics Data System (ADS)

    Bazarnik, Maciej; Decker, Régis; Brede, Jens; Wiesendanger, Roland

    2015-09-01

    We present a scanning tunneling microscopy study of Fe and Co intercalated at the graphene-Ir(111) interface. In the case of Fe, we investigate the morphology of the surface with respect to the annealing temperature, which activates the intercalation, and as a function of coverage. By increasing the coverage we show that it is possible to intercalate multilayers at the interface. Finally, we demonstrate that the successive intercalation of Co and Fe for the same sample leads to distinct adjacent intercalation areas.

  11. Dynamics of graphite fiber intercalation: In situ resistivity measurements with a four point probe

    NASA Technical Reports Server (NTRS)

    Jaworske, D. A.

    1984-01-01

    The dynamics of ferric chloride intercalation of single graphite fibers were studied, in situ, using a four point dc bridge. Measurements before, during and after the intercalation showed that the intercalation occurred within minutes at 200 C. Changes in fiber resistivity after exposure to air suggested hydration of the graphite intercalation compound. Deintercalation of the ferric chloride was initiated at temperatures in excess of 400 C. cycling the intercalant into and out of the graphite fiber gave no improvements in fiber resistivity. The activation energy of the ferric chloride intercalation reaction was found to be 17 + or - 4 kcal/mol 1 consistent with the concept of a preliminary nucleation step in the intercalation reaction.

  12. A unique perylene-based DNA intercalator: localization in cell nuclei and inhibition of cancer cells and tumors.

    PubMed

    Xu, Zejun; Guo, Kunru; Yu, Jieshi; Sun, Haili; Tang, Jun; Shen, Jie; Müllen, Klaus; Yang, Wantai; Yin, Meizhen

    2014-10-29

    To date, perylene derivatives have not been explored as DNA intercalator to inhibit cancer cells by intercalating into the base pairs of DNA. Herein, a water-soluble perylene bisimide (PBDI) that efficiently intercalates into the base pairs of DNA is synthesized. Excitingly, PBDI is superior to the commercial DNA intercalator, amonafide, for specific nuclear accumulation and effective suppression of cancer cells and tumors.

  13. Differentiation of renal beta-intercalated cells to alpha-intercalated and principal cells in culture.

    PubMed Central

    Fejes-Tóth, G; Náray-Fejes-Tóth, A

    1992-01-01

    The renal collecting duct is a heterogenous epithelium consisting of intercalated cells (ICC) and principal cells (PC). The origin of this cellular heterogeneity is not clear. To test the hypothesis that the two cell types might originate from one another, pure populations of ICC (beta subtype) and PC were isolated by fluorescence-activated cell sorting and grown on permeable supports. After the monolayers reached confluence, the expression of ICC- and PC-specific functions and antigens was monitored. Cultures of sorted beta-ICC, in addition to expressing ICC-specific functions (such as an electrogenic H+ secretion) and antigens, progressively acquired PC functions (amiloride-sensitive Na+ transport and K+ secretion). On day 6, cultures of sorted beta-ICC exhibited a lumen-negative transepithelial potential difference of 83 +/- 4 mV and a short circuit current of 107 +/- 15 microA/cm2 and created a lumen-to-bath K+ concentration ratio of approximately 10. The percentage of cells staining with two PC-specific antibodies was 53% and 65%. On the other hand, cultures of sorted PC failed to acquire ICC-specific functions while maintaining PC characteristics. To rule out preferential proliferation of a few contaminating PC as an explanation of these results, we have generated a continuous collecting duct cell line (M-1) originating from mice transgenic for the early region of simian virus 40. Cell lines cloned from M-1 cells exhibit both PC and ICC functions and show mutually exclusive heterogenous expression of PC and ICC antigens, demonstrating a common origin of the two cell types. These data indicate that while beta-ICC in culture can give rise to both alpha-ICC and PC, PC cannot convert to ICC, which raises the possibility that beta-ICC is the stem cell in the renal collecting duct. Differentiation of ICC to PC may explain the cellular heterogeneity in the cortical collecting duct. Images PMID:1608958

  14. Graphene on Mica - Intercalated Water Trapped for Life

    PubMed Central

    Ochedowski, O.; Bussmann, B. Kleine; Schleberger, M.

    2014-01-01

    In this work we study the effect of thermal processing of exfoliated graphene on mica with respect to changes in graphene morphology and surface potential. Mild annealing to temperatures of about 200°C leads to the removal of small amounts of intercalated water at graphene edges. By heating to 600°C the areas without intercalated water are substantially increased enabling a quantification of the charge transfer properties of the water layer by locally resolved Kelvin probe force microscopy data. A complete removal on a global scale cannot be achieved because mica begins to decompose at temperatures above 600°C. By correlating Kelvin probe force microscopy and Raman spectroscopy maps we find a transition from p-type to n-type doping of graphene during thermal processing which is driven by the dehydration of the mica substrate and an accumulation of defects in the graphene sheet. PMID:25132493

  15. Superconductivity in the Graphite Intercalation Compound BaC(6).

    PubMed

    Heguri, Satoshi; Kawade, Naoya; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Tanigaki, Katsumi; Kobayashi, Mototada

    2015-06-19

    Among many two-dimensional (2D) high T(C) superconductors, graphite intercalation compounds (GICs) are the most famous intercalation family, which are classified as typical electron-phonon mediated superconductors. We show unambiguous experimental facts that BaC(6), the superconductivity of which has been missing for many years so far among various alkaline earth metal (Ca, Sr, and Ba) intercalted GICs, exhibits superconductivity at T(C)=65  mK. By adding this finding as the additional experimental point, a complete figure displaying the relationship between T(C) and interlayer distance (d) for GICs is now provided, and their possible superconducting mechanisms raised so far are revisited. The present study settles a long-running debate between theories and experiments on the superconductivity in the first stage GICs.

  16. Reactivity of lithium intercalated into petroleum coke in carbonate electrolytes

    SciTech Connect

    Jean, M.; Tranchant, A.; Messina, R.

    1996-02-01

    There have been considerable efforts to develop lithium rocking chair batteries where the lithium metal anode is replaced by a nonmetal material capable of storing and exchanging large quantities of lithium ions. The results of a study of the reactivity of lithium intercalated into petroleum coke (Conoco) in a PC/EC/DMC (1/1/3 volume) mixture and LiCF{sub 3}SO{sub 3} as the lithium salt are presented here. The authors show the loss of intercalated lithium is due to its reactivity with the electrolyte and increases quasi-linearly during 1,000 h of storage, and thereafter becomes less important as the storage time increases. The storage of passivated petroleum coke electrodes without any lithium content allowed the authors to determine the rates of the precipitation and dissolution reactions involving the passivating layer.

  17. Intercalation of trichloroethene by sediment-associated clay minerals.

    PubMed

    Matthieu, D E; Brusseau, M L; Johnson, G R; Artiola, J L; Bowden, M L; Curry, J E

    2013-01-01

    The objective of this research was to examine the potential for intercalation of trichloroethene (TCE) by clay minerals associated with aquifer sediments. Sediment samples were collected from a field site in Tucson, AZ. Two widely used Montmorillonite specimen clays were employed as controls. X-ray diffraction, conducted with a controlled-environment chamber, was used to characterize smectite interlayer d-spacing for three treatments (bulk air-dry sample, sample mixed with synthetic groundwater, sample mixed with TCE-saturated synthetic groundwater). The results show that the d-spacing measured for the samples treated with TCE-saturated synthetic groundwater are larger (~26%) than those of the untreated samples for all field samples as well as the specimen clays. These results indicate that TCE was intercalated by the clay minerals, which may have contributed to the extensive elution tailing observed in prior miscible-displacement experiments conducted with this sediment.

  18. Controlling the photoconductivity: Graphene oxide and polyaniline self assembled intercalation

    SciTech Connect

    Vempati, Sesha; Ozcan, Sefika; Uyar, Tamer

    2015-02-02

    We report on controlling the optoelectronic properties of self-assembled intercalating compound of graphene oxide (GO) and HCl doped polyaniline (PANI). Optical emission and X-ray diffraction studies revealed a secondary doping phenomenon of PANI with –OH and –COOH groups of GO, which essentially arbitrate the intercalation. A control on the polarity and the magnitude of the photoresponse (PR) is harnessed by manipulating the weight ratios of PANI to GO (viz., 1:1.5 and 1:2.2 are abbreviated as PG1.5 and PG2.2, respectively), where ±PR = 100(R{sub Dark} – R{sub UV-Vis})/R{sub Dark} and R corresponds to the resistance of the device in dark or UV-Vis illumination. To be precise, the PR from GO, PANI, PG1.5, and PG2.2 are +34%, −111%, −51%, and +58%, respectively.

  19. Abl suppresses cell extrusion and intercalation during epithelium folding.

    PubMed

    Jodoin, Jeanne N; Martin, Adam C

    2016-09-15

    Tissue morphogenesis requires control over cell shape changes and rearrangements. In the Drosophila mesoderm, linked epithelial cells apically constrict, without cell extrusion or intercalation, to fold the epithelium into a tube that will then undergo epithelial-to-mesenchymal transition (EMT). Apical constriction drives tissue folding or cell extrusion in different contexts, but the mechanisms that dictate the specific outcomes are poorly understood. Using live imaging, we found that Abelson (Abl) tyrosine kinase depletion causes apically constricting cells to undergo aberrant basal cell extrusion and cell intercalation. abl depletion disrupted apical-basal polarity and adherens junction organization in mesoderm cells, suggesting that extruding cells undergo premature EMT. The polarity loss was associated with abnormal basolateral contractile actomyosin and Enabled (Ena) accumulation. Depletion of the Abl effector Enabled (Ena) in abl-depleted embryos suppressed the abl phenotype, consistent with cell extrusion resulting from misregulated ena Our work provides new insight into how Abl loss and Ena misregulation promote cell extrusion and EMT.

  20. INTERCALATION OF TRICHLOROETHENE BY SEDIMENT-ASSOCIATED CLAY MINERALS

    PubMed Central

    Matthieu, D.E.; Brusseau, M.L.; Johnson, G.R.; Artiola, J.L.; Bowden, M.L.; Curry, J.E.

    2012-01-01

    The objective of this research was to examine the potential for intercalation of trichloroethene (TCE) by clay minerals associated with aquifer sediments. Sediment samples were collected from a field site in Tucson, AZ. Two widely used Montmorillonite specimen clays were employed as controls. X-ray diffraction, conducted with a controlled-environment chamber, was used to characterize smectite interlayer d-spacing for three treatments (bulk air-dry sample, sample mixed with synthetic groundwater, sample mixed with TCE-saturated synthetic groundwater). The results show that the d-spacing measured for the samples treated with TCE-saturated synthetic groundwater are larger (~26%) than those of the untreated samples for all field samples as well as the specimen clays. These results indicate that TCE was intercalated by the clay minerals, which may have contributed to the extensive elution tailing observed in prior miscible-displacement experiments conducted with this sediment. PMID:22921434

  1. Intercalation of Trichloroethene by Sediment-Associated Clay Minerals

    SciTech Connect

    Matthieu, Donald E.; Brusseau, Mark; Johnson, G. R.; Artiola, J. L.; Bowden, Mark E.; Curry, J. E.

    2013-01-01

    The objective of this research was to examine the potential for intercalation of trichloroethene (TCE) by clay minerals associated with aquifer sediments. Sediment samples were collected from a field site inTucson, AZ. Two widely used Montmorillonite specimen clays were employed as controls. X-ray diffraction, conducted with a controlled-environment chamber, was used to characterize smectite interlayer dspacing for three treatments (bulk air-dry sample, sample mixed with synthetic groundwater, sample mixed with TCE-saturated synthetic groundwater). The results show that the d-spacing measured for the samples treated with TCE-saturated synthetic groundwater are larger (*26%) than those of the untreated samples for all field samples as well as the specimen clays. These results indicate that TCE was intercalated by the clay minerals, which may have contributed to the extensive elution tailing observed in prior miscible-displacement experiments conducted with this sediment.

  2. Lithium intercalation behavior of surface modified carbonaceous materials

    SciTech Connect

    Tran, T.D.; Murguia, L.X.; Song, X.; Kinoshita, K.

    1997-07-17

    The surface properties of several well-characterized commercial carbon materials were modified by thermal and chemical treatments. The reversible capacities for lithium intercalation of a sponge green coke and a fuel green coke for lithium intercalation increased by as much as 25% after heat treatment in both reducing (5% H{sub 2}/Ar) and oxidizing (CO{sub 2}) environments. The irreversible capacity loss increased significantly with CO{sub 2} treatment at 800{degrees}C. The trend of larger capacity losses with CO{sub 2} treatment is also observed with a synthetic graphite (SFG6) which was produced by heat treatment at about 3000{degrees}C. Carbon fibers that were first impregnated with LiOH solution followed by reaction with CO{sub 2} to form Li{sub 2}CO{sub 3} tended to show lower irreversible capacity losses.

  3. Intercalated graphite fiber composites as EMI shields in aerospace structures

    NASA Technical Reports Server (NTRS)

    Gaier, James R.

    1990-01-01

    The requirements for electromagnetic interference (EMI) shielding in aerospace structures are complicated over that of ground structures by their weight limitations. As a result, the best EMI shielding materials must blend low density, high strength, and high elastic modulus with high shielding ability. In addition, fabrication considerations including penetrations and joints play a major role. The EMI shielding properties are calculated for shields formed from pristine and intercalated graphite fiber/epoxy composites and compared to preliminary experimental results and to shields made from aluminum. Calculations indicate that EMI shields could be fabricated from intercalated graphite composites which would have less than 12 percent of the mass of conventional aluminum shields, based on mechanical properties and shielding properties alone.

  4. Controlling the photoconductivity: Graphene oxide and polyaniline self assembled intercalation

    NASA Astrophysics Data System (ADS)

    Vempati, Sesha; Ozcan, Sefika; Uyar, Tamer

    2015-02-01

    We report on controlling the optoelectronic properties of self-assembled intercalating compound of graphene oxide (GO) and HCl doped polyaniline (PANI). Optical emission and X-ray diffraction studies revealed a secondary doping phenomenon of PANI with -OH and -COOH groups of GO, which essentially arbitrate the intercalation. A control on the polarity and the magnitude of the photoresponse (PR) is harnessed by manipulating the weight ratios of PANI to GO (viz., 1:1.5 and 1:2.2 are abbreviated as PG1.5 and PG2.2, respectively), where ±PR = 100(RDark - RUV-Vis)/RDark and R corresponds to the resistance of the device in dark or UV-Vis illumination. To be precise, the PR from GO, PANI, PG1.5, and PG2.2 are +34%, -111%, -51%, and +58%, respectively.

  5. Amphiphilic properties of poly(oxyalkylene)amine-intercalated smectite aluminosilicates.

    PubMed

    Lin, Jiang-Jen; Chen, Yu-Min

    2004-05-11

    Layered aluminosilicates, including synthetic fluorine mica and natural montmorillonite (MMT), were intercalated with poly(oxypropylene)-polyamine quaternary salts with a 230-5000 molecular weight range. The X-ray basal spacing of these silicates had been expanded from 13.5 to 83.7 A for the synthetic mica and to 92.0 A for MMT. The relative silicate dimensions (300-1000 nm for synthetic mica and 80-100 nm for MMT) were ascertained by direct TEM observations in the case of the co-intercalated synthetic mica and MMT mixtures with Mw = 2000 quaternary ammonium salts. The tailored organic incorporation of synthetic mica and MMT clays could alter these hydrophilic clays, making them amphiphilic, and enable the lowering of toluene/water interfacial tension to 2.0 mN/m at the critical concentration of 0.1 wt %.

  6. Technological hurdles to the application of intercalated graphite fibers

    NASA Technical Reports Server (NTRS)

    Gaier, James R.

    1988-01-01

    Before intercalated graphite fibers can be developed as an effective power material, there are several technological hurdles which must be overcome. These include the environmental stability, homogeneity and bulk properties, connection procedures, and costs. Strides were made within the last several years in stability and homogeneity of intercalated graphite fibers. Bulk properties and connection procedures are areas of active research now. Costs are still prohibitive for all but the most demanding applications. None of these problems, however, appear to be unsolvable, and their solution may result in wide spread GOC application. The development of a relatively simple technology application, such as EMI shielding, would stimulate the solution of scale-up problems. Once this technology is developed, then more demanding applications, such as power bus bars, may be possible.

  7. Exfoliation and intercalation of montmorillonite by small peptides

    PubMed Central

    Block, Karin A.; Trusiak, Adrianna; Katz, Al; Alimova, Alexandra; Wei, Hui; Gottlieb, Paul; Steiner, Jeffrey C.

    2015-01-01

    Understanding structural changes in clay minerals induced by complexation with organic matter is relevant to soil science and agricultural applications. In this study, the effect of peptide storage in montmorillonite and the thermal stability of peptide-clay complexes was examined through characterization by X-ray diffraction (XRD), electron microscopy, UV absorption, and thermogravimetric analysis (TGA). XRD analysis of small peptide-montmorillonite clay complexes produced profiles consisting of reflections associated with the smectite 001 reflection and related peaks similar to that produced by a mixed layer clay mineral structure. Shifts in higher order diffraction maxima were attributed to disorder caused by the intercalation with the peptides. Increasing peptide concentrations resulted in greater shifts towards smaller 2θ from 6.37° (1.39 nm) to 5.45° (1.62 nm) as the interlayer space expanded. The expansion was accompanied by broadening of the 001 reflection (FWHM increases from 0.51 to 1.22° 2θ). The XRD line broadening was interpreted as caused by poorer crystallinity resulting from intercalation and tactoid exfoliation. SEM images revealed montmorillonite platelets with upwardly rolled edges that tend toward cylindrical structures with the production of tubules. High-resolution TEM images revealed bending of montmorillonite platelets, confirming exfoliation. The distribution of basal spacings in the micrographs was determined from the spatial frequencies obtained by Fourier analysis of density profiles. The distribution indicated the presence of discrete coherent crystallite domains. XRD and TGA results indicated that higher peptide concentrations resulted in a greater fraction of intercalated peptides and that surface adsorption of peptides mediated intercalation. Therefore, higher peptide concentration led to more stable organoclay complexes. However, UV absorption and TGA found that peptide adsorption onto montmorillonite had a finite limit at

  8. Reversible Intercalation of Fluoride-Anion Receptor Complexes in Graphite

    NASA Technical Reports Server (NTRS)

    West, William C.; Whitacre, Jay F.; Leifer, Nicole; Greenbaum, Steve; Smart, Marshall; Bugga, Ratnakumar; Blanco, Mario; Narayanan, S. R.

    2007-01-01

    We have demonstrated a route to reversibly intercalate fluoride-anion receptor complexes in graphite via a nonaqueous electrochemical process. This approach may find application for a rechargeable lithium-fluoride dual-ion intercalating battery with high specific energy. The cell chemistry presented here uses graphite cathodes with LiF dissolved in a nonaqueous solvent through the aid of anion receptors. Cells have been demonstrated with reversible cathode specific capacity of approximately 80 mAh/g at discharge plateaus of upward of 4.8 V, with graphite staging of the intercalant observed via in situ synchrotron X-ray diffraction during charging. Electrochemical impedance spectroscopy and B-11 nuclear magnetic resonance studies suggest that cointercalation of the anion receptor with the fluoride occurs during charging, which likely limits the cathode specific capacity. The anion receptor type dictates the extent of graphite fluorination, and must be further optimized to realize high theoretical fluorination levels. To find these optimal anion receptors, we have designed an ab initio calculations-based scheme aimed at identifying receptors with favorable fluoride binding and release properties.

  9. Transport study of electrochemically decorated and intercalated graphene

    NASA Astrophysics Data System (ADS)

    Efetov, Dmitri K.; Mak, Kin Fai; Guo, Yinsheng; Heinz, Tony F.; Brus, Louis; Kim, Philip

    2012-02-01

    Due to the surface-only properties of graphene, the decoration and/or intercalation of single, bi- and multi-layer graphene with foreign atoms can severely modify its electronic interactions, similar to those observed in its 3D counterpart the graphite intercalation compounds. Supported by a highly increased density of state due to a strong charge transfer above 10^14 cm-2 into the graphene π-bands, certain adatoms are expected to induce strong electronic interactions to the graphenes own Dirac fermions, where theoretical predictions reach from the Kondo-effect and magnetism to as far as superconductivity in graphene. In this study we will present evidence of specific adsorption and intercalation of diverse atomic species by electrochemical means. We will present a detailed transport study, including resistivity-, Hall- and magneto-resistivity measurements of single-, bi- and multi-layer graphene devices which were subjected to electrochemical doping by a variety of electrolytes and ionic species such as Li^+, ClO4^-, Cs^+, Ca^2+, etc.

  10. Synthesis and characterization of intercalated few-layer graphenes

    NASA Astrophysics Data System (ADS)

    Sato, Shogo; Ichikawa, Hiroaki; Iwata, Nobuyuki; Yamamoto, Hiroshi

    2014-02-01

    Toward achieving room-temperature superconductivity, FeCl3-intercalated few-layer graphenes (FeCl3-FLGs) and Ca-intercalated few-layer graphenes (Ca-FLGs) were synthesized. FeCl3-FLGs were synthesized by the two-zone method and Ca-FLGs were synthesized using Ca-Li alloy. The Raman spectra of the FeCl3-FLGs showed a lower-intensity peak at 1607 cm-1 than that of the corresponding bare G. The peak at 1607 cm-1 suggested that the sample was stage 4-5 FeCl3-FLGs. The room-temperature electrical resistivity of FeCl3-FLGs was 2.65 × 10-5 Ω·m, which linearly decreased with decreasing temperature with a marked change occurring at approximately 200 K. From a XRD pattern of Ca-FLGs, we concluded that Ca is intercalated in FLGs. The room-temperature resistivity of Ca-FLGs was 3.45 × 10-5 Ω·m, which increased with decreasing temperature.

  11. Ferric chloride graphite intercalation compounds prepared from graphite fluoride

    NASA Technical Reports Server (NTRS)

    Hung, Ching-Cheh

    1994-01-01

    The reaction between graphite fluoride and ferric chloride was observed in the temperature range of 300 to 400 C. The graphite fluorides used for this reaction have an sp3 electronic structure and are electrical insulators. They can be made by fluorinating either carbon fibers or powder having various degrees of graphitization. Reaction is fast and spontaneous and can occur in the presence of air. The ferric chloride does not have to be predried. The products have an sp2 electronic structure and are electrical conductors. They contain first stage FeCl3 intercalated graphite. Some of the products contain FeCl2*2H2O, others contain FeF3 in concentrations that depend on the intercalation condition. The graphite intercalated compounds (GIC) deintercalated slowly in air at room temperature, but deintercalated quickly and completely at 370 C. Deintercalation is accompanied by the disappearing of iron halides and the formation of rust (hematite) distributed unevenly on the fiber surface. When heated to 400 C in pure N2 (99.99 vol %), this new GIC deintercalates without losing its molecular structure. However, when the compounds are heated to 800 C in quartz tube, they lost most of its halogen atoms and formed iron oxides (other than hematite), distributed evenly in or on the fiber. This iron-oxide-covered fiber may be useful in making carbon-fiber/ceramic-matrix composites with strong bonding at the fiber-ceramic interface.

  12. Materials discovery through crystal growth

    NASA Astrophysics Data System (ADS)

    zur Loye, Hans-Conrad

    2016-04-01

    The discovery of new materials and associated desirable properties has been a driving force behind chemical innovation for centuries. When we look at some of the many recent technological advances, and how widespread and significant their impact has been, we appreciate how much they have relied on new materials. The increase in hard drive storage capacity due to new giant magneto-resistive materials, the ever-shrinking cell phone due to improved microwave dielectric materials, the enhancement in lithium battery storage capacity due to new intercalation materials, or the improved capacitor due to new ferroelectric materials are all excellent examples. How were these materials discovered? While there is no single answer, in all cases there was a First-Material, the archetype in which the phenomenon was first observed, the one that led to further investigations and the subsequent preparation of improved 2nd or 3rd generation materials. It is this First-Material, the archetype, that was discovered - often via crystal growth.

  13. Photoinduced carrier generation and decay dynamics in intercalated and non-intercalated polymer:fullerene bulk heterojunctions.

    PubMed

    Rance, William L; Ferguson, Andrew J; McCarthy-Ward, Thomas; Heeney, Martin; Ginley, David S; Olson, Dana C; Rumbles, Garry; Kopidakis, Nikos

    2011-07-26

    The dependence of photoinduced carrier generation and decay on donor-acceptor nanomorphology is reported as a function of composition for blends of the polymer poly(2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2-b]thiophene) (pBTTT-C(14)) with two electron-accepting fullerenes: phenyl-C(71)-butyric acid methyl ester (PC(71)BM) or the bisadduct of phenyl-C(61)-butyric acid methyl ester (bis-PC(61)BM). The formation of partially or fully intercalated bimolecular crystals at weight ratios up to 1:1 for pBTTT-C(14):PC(71)BM blends leads to efficient exciton quenching due to a combination of static and dynamic mechanisms. At higher fullerene loadings, pure PC(71)BM domains are formed that result in an enhanced free carrier lifetime, as a consequence of spatial separation of the electron and hole into different phases, and the dominant contribution to the photoconductance comes from the high-frequency electron mobility in the fullerene clusters. In the pBTTT-C(14):bis-PC(61)BM system, phase separation results in a non-intercalated structure, independent of composition, which is characterized by exciton quenching that is dominated by a dynamic process, an enhanced carrier lifetime and a hole-dominated photoconductance signal. The results indicate that intercalation of fullerene into crystalline polymer domains is not detrimental to the density of long-lived carriers, suggesting that efficient organic photovoltaic devices could be fabricated that incorporate intercalated structures, provided that an additional pure fullerene phase is present for charge extraction.

  14. Electrochemical Investigation of Oxygen Intercalation into La 2CuO 4+ δPhases

    NASA Astrophysics Data System (ADS)

    Magnone, E.; Cerisola, G.; Ferretti, M.; Barbucci, A.

    1999-04-01

    In this work the electrochemical intercalation of oxygen in La2CuO4phases has been studied. Oxygen intercalation has been performed at different anodic potentials for fixed time in alkaline solution (1 M NaOH) at room temperature. The electrochemistry of the phenomena taking place at the oxide-solution interface has been investigated by cyclic voltammetry (CV), controlled-potential coulometry, and electrochemical impedance spectroscopy (EIS). The homogeneity of processed samples and the lattice parameters prior to and after oxygen intercalation have been verified by X-ray powder diffraction. SEM has been used to relate surface modification to the potential applied after electrochemical oxygen intercalation. The recent theories and knowledge of mechanisms of oxygen intercalation into the oxide lattice have been related to the experimental results. Oxygen intercalation seems to occur at potentials slightly lower than that of the oxygen evolution reaction (OER) and proceeds on a parallel pathway to O2evolution at more anodic potentials.

  15. Synthesis of ACECLOFENAC/HYDROXYPROPYL-β-CYCLODEXTRIN Intercalated Layered Double Hydroxides and Controlled Release Properties

    NASA Astrophysics Data System (ADS)

    Li, Shifeng; Shen, Yanming; Liu, Dongbin; Fan, Lihui; Wu, Keke; Xiao, Min

    2013-06-01

    Aceclofenac (AC)/hydroxypropyl-β-cyclodextrin (HP-β-CD) complex intercalated layered double hydroxides (LDHs) have been synthesized by reconstruction method. X-ray diffraction, Fourier transform infrared and thermal gravimetric analyses indicated a successful intercalation of AC/HP-β-CD complex into the LDHs gallery. The AC release properties were also studied in different pH values buffer solution. The results indicate that the AC/HP-β-CD intercalated LDH has a potential application in drug delivery agent.

  16. High field superconductivity in alkali metal intercalates of MoS2

    NASA Technical Reports Server (NTRS)

    Woollam, J. A.; Flood, D. J.; Wagoner, D. E.; Somoano, R. B.; Rembaum, A.

    1973-01-01

    In the search for better high temperature, high critical field superconductors, a class of materials was found which have layered structures and can be intercalated with various elements and compounds. Since a large number of compounds can be formed, intercalation provides a method of control of superconducting properties. They also provide the possible medium for excitonic superconductivity. Results of magnetic field studies are presented on alkali metal (Na, K, Rb, and Cs) intercalated MoS2 (2H polymorph).

  17. Magnetic field effects on superconductivity in alkali metal intercalates of MoS2

    NASA Technical Reports Server (NTRS)

    Woollam, J. A.; Flood, D. J.; Wagoner, D. E.; Somoano, R. B.; Rembaum, A.

    1972-01-01

    The effects of a magnetic field on the superconducting transition in MoS2 intercalated with potassium and sodium were studied. It was found that the potassium intercalated MoS2 has better properties in a magnetic field. In zero magnetic field the transition to superconductivity begins near 6.4 K. Diagrams of the basic circuitry for superconducting transition studies, and charts showing critical magnetic field versus critical temperature for the intercalated MoS2 are included.

  18. Tuning the properties of polymer bulk heterojunction solar cells by adjusting fullerene size to control intercalation

    SciTech Connect

    Cates, N.C.

    2010-02-24

    We demonstrate that intercalation of fullerene derivatives between the side chains of conjugated polymers can be controlled by adjusting the fullerene size and compare the properties of intercalated and nonintercalated poly(2,5-bis(3-hexadecylthiophen-2-yl)thieno[3,2-b]thiophene) (pBTTT):fullerene blends. The intercalated blends, which exhibit optimal solar-cell performance at 1:4 polymer:fullerene by weight, have better photoluminescence quenching and lower absorption than the nonintercalated blends, which optimize at 1:1. Understanding how intercalation affects performance will enable more effective design of polymer:fullerene solar cells.

  19. Potential Modulated Intercalation of Alkali Cations into Metal Hexacyanoferrate Coated Electrodes

    SciTech Connect

    Daniel T. Schwartz; Bekki Liu; Marlina Lukman; Kavita M. Jeerage; William A. Steen; Haixia Dai; Qiuming Yu; J. Antonio Medina

    2002-02-18

    Nickel hexacyanoferrate is a polynuclear inorganic ion intercalation material that loads (intercalates) and elutes (deintercalates) alkali cations from its structure when electrochemically reduced and oxidized, respectively. Nickel hexacyanoferrrate (NiHCF) is known to preferentially intercalate cesium over all other alkali cations, thus providing a basis for a separation scheme that can tackle DOE's radiocesium contamination problem. This program studied fundamental issues in alkalization intercalation and deintercalation in nickel hexacyanoferrate compounds, with the goal of (1) quantifying the ion exchange selectivity properties from cation mixtures, (2) enhancing ion exchange capacities, and (3) and understanding the electrochemically-switched ion exchange process (ESIX).

  20. Nickel hexacyanoferrate, a versatile intercalation host for divalent ions from nonaqueous electrolytes

    NASA Astrophysics Data System (ADS)

    Lipson, Albert L.; Han, Sang-Don; Kim, Soojeong; Pan, Baofei; Sa, Niya; Liao, Chen; Fister, Timothy T.; Burrell, Anthony K.; Vaughey, John T.; Ingram, Brian J.

    2016-09-01

    New energy storage chemistries based on Mg ions or Ca ions can theoretically improve both the energy density and reduce the costs of batteries. To date there has been limited progress in implementing these systems due to the challenge of finding a high voltage high capacity cathode that is compatible with an electrolyte that can plate and strip the elemental metal. In order to accelerate the discovery of such a system, model systems are needed that alleviate some of the issues of incompatibility. This report demonstrates the ability of nickel hexacyanoferrate to electrochemically intercalate Mg, Ca and Zn ions from a nonaqueous electrolyte. This material has a relatively high insertion potential and low overpotential in the electrolytes used in this study. Furthermore, since it is not an oxide based cathode it should be able to resist attack by corrosive electrolytes such as the chloride containing electrolytes that are often used to plate and strip magnesium. This makes it an excellent cathode for use in developing and understanding the complex electrochemistry of multivalent ion batteries.

  1. Superconductivity in Pd-intercalated charge-density-wave rare earth poly-tellurides RETe n

    NASA Astrophysics Data System (ADS)

    He, J. B.; Wang, P. P.; Yang, H. X.; Long, Y. J.; Zhao, L. X.; Ma, C.; Yang, M.; Wang, D. M.; Shangguan, X. C.; Xue, M. Q.; Zhang, P.; Ren, Z. A.; Li, J. Q.; Liu, W. M.; Chen, G. F.

    2016-06-01

    Charge density waves (CDWs) are periodic modulations of the conduction electron density in solids, which are generally considered to remove electrons from the Fermi level, and thus preclude a superconducting state. However, in a variety of CDW materials, such as the prototypical transition metal chalcogenides, superconductivity has also been observed at very low temperature (Yokoya et al 2001 Science 294 2518; Morosan et al 2006 Nat. Phys. 2 544; Kiss et al 2007 Nat. Phys. 3 720), in which, although the two electronic correlated states are believed to occur in different parts of Fermi surface sheets derived mainly from chalcogen p-states and transition metal d-states, the nature of the relationship between them has not yet been unambiguously determined. Here we report the discovery of superconductivity in Pd-intercalated RETe n (RE = rare earth; n = 2.5, 3) CDW systems, in which the chalcogen layers alone are responsible for both superconductivity and CDW instability. Our finding could provide an ideal model system for comprehensive study of the interplay between CDW and superconductivity due to the remarkable simplicity of the electronic structure of Te planes.

  2. Displacement based multilevel structural optimization

    NASA Technical Reports Server (NTRS)

    Striz, Alfred G.

    1995-01-01

    Multidisciplinary design optimization (MDO) is expected to play a major role in the competitive transportation industries of tomorrow, i.e., in the design of aircraft and spacecraft, of high speed trains, boats, and automobiles. All of these vehicles require maximum performance at minimum weight to keep fuel consumption low and conserve resources. Here, MDO can deliver mathematically based design tools to create systems with optimum performance subject to the constraints of disciplines such as structures, aerodynamics, controls, etc. Although some applications of MDO are beginning to surface, the key to a widespread use of this technology lies in the improvement of its efficiency. This aspect is investigated here for the MDO subset of structural optimization, i.e., for the weight minimization of a given structure under size, strength, and displacement constraints. Specifically, finite element based multilevel optimization of structures (here, statically indeterminate trusses and beams for proof of concept) is performed. In the system level optimization, the design variables are the coefficients of assumed displacement functions, and the load unbalance resulting from the solution of the stiffness equations is minimized. Constraints are placed on the deflection amplitudes and the weight of the structure. In the subsystems level optimizations, the weight of each element is minimized under the action of stress constraints, with the cross sectional dimensions as design variables. This approach is expected to prove very efficient, especially for complex structures, since the design task is broken down into a large number of small and efficiently handled subtasks, each with only a small number of variables. This partitioning will also allow for the use of parallel computing, first, by sending the system and subsystems level computations to two different processors, ultimately, by performing all subsystems level optimizations in a massively parallel manner on separate processors. It is expected that the subsystems level optimizations can be further improved through the use of controlled growth, a method which reduces an optimization to a more efficient analysis with only a slight degradation in accuracy. The efficiency of all proposed techniques is being evaluated relative to the performance of the standard single level optimization approach where the complete structure is weight minimized under the action of all given constraints by one processor and to the performance of simultaneous analysis and design which combines analysis and optimization into a single step. It is expected that the present approach can be expanded to include additional structural constraints (buckling, free and forced vibration, etc.) or other disciplines (passive and active controls, aerodynamics, etc.) for true MDO.

  3. High-Temperature Intercalated Graphite Fiber Conductors Fabricated

    NASA Technical Reports Server (NTRS)

    Gaier, James R.

    2002-01-01

    Composites of intercalated graphite fibers show promise to significantly reduce the weight of electromagnetic interference shielding in spacecraft and aircraft. Bromine intercalated pitch-based fibers have been among the most heavily studied systems because of their attractive electrical and thermal conductivities and their stability over a wide range of environmental conditions. Previous studies found that the resistivity of bromineintercalated graphite fibers began to increase when the fibers were exposed to temperatures in excess of about 200 C in air for long periods of time. If the temperature was as high as 450 C, the resistivity increased dramatically within a few hours. It remained unclear, however, whether the increase was due to deintercalation of the bromine or to air oxidation of the fibers. Studies were initially directed toward determining the temperature at which bromine would deintercalate from the fibers, and perhaps become a hazard to both personnel and equipment. So the mass of bromine-intercalated graphite fibers was carefully monitored as it was heated in an inert atmosphere, since the fibers are known to oxidize at a lower temperature than they deintercalate. What was found was that the fibers, which are about 18-wt% bromine, did not lose any appreciable mass even at temperatures approaching 1000 C. X-ray diffraction studies showed that there were also no changes in the overall structure of the compound. Resistivity measurements indicated that there is some slight degradation in the electronic structure, in that the resistivity increased by a few percent. Overall, the results show that these materials may be suitable for applications at temperatures at least this high, provided oxygen is excluded. This may enable their use in carbon-ceramic, and perhaps even carbon-carbon composites.

  4. The intercalated nuclear complex of the primate amygdala.

    PubMed

    Zikopoulos, Basilis; John, Yohan J; García-Cabezas, Miguel Ángel; Bunce, Jamie G; Barbas, Helen

    2016-08-25

    The organization of the inhibitory intercalated cell masses (IM) of the primate amygdala is largely unknown despite their key role in emotional processes. We studied the structural, topographic, neurochemical and intrinsic connectional features of IM neurons in the rhesus monkey brain. We found that the intercalated neurons are not confined to discrete cell clusters, but form a neuronal net that is interposed between the basal nuclei and extends to the dorsally located anterior, central, and medial nuclei of the amygdala. Unlike the IM in rodents, which are prominent in the anterior half of the amygdala, the primate inhibitory net stretched throughout the antero-posterior axis of the amygdala, and was most prominent in the central and posterior extent of the amygdala. There were two morphologic types of intercalated neurons: spiny and aspiny. Spiny neurons were the most abundant; their somata were small or medium size, round or elongated, and their dendritic trees were round or bipolar, depending on location. The aspiny neurons were on average slightly larger and had varicose dendrites with no spines. There were three non-overlapping neurochemical populations of IM neurons, in descending order of abundance: (1) Spiny neurons that were positive for the striatal associated dopamine- and cAMP-regulated phosphoprotein (DARPP-32+); (2) Aspiny neurons that expressed the calcium-binding protein calbindin (CB+); and (3) Aspiny neurons that expressed nitric oxide synthase (NOS+). The unique combinations of structural and neurochemical features of the three classes of IM neurons suggest different physiological properties and function. The three types of IM neurons were intermingled and likely interconnected in distinct ways, and were innervated by intrinsic neurons within the amygdala, or by external sources, in pathways that underlie fear conditioning and anxiety. PMID:27256508

  5. Intercalation of small hydrophobic molecules in lipid bilayers containing cholesterol

    SciTech Connect

    Worcester, D.L.; Hamacher, K.; Kaiser, H.; Kulasekere, R.; Torbet, J.

    1994-12-31

    Partitioning of small hydrophobic molecules into lipid bilayers containing cholesterol has been studied using the 2XC diffractometer at the University of Missouri Research Reactor. Locations of the compounds were determined by Fourier difference methods with data from both deuterated and undeuterated compounds introduced into the bilayers from the vapor phase. Data fitting procedures were developed for determining how well the compounds were localized. The compounds were found to be localized in a narrow region at the center of the hydrophobic layer, between the two halves of the bilayer. The structures are therefore intercalated structures with the long axis of the molecules in the plane of the bilayer.

  6. C-13 nuclear magnetic resonance in graphite intercalation compounds

    NASA Technical Reports Server (NTRS)

    Tsang, T.; Resing, H. A.

    1985-01-01

    The C-13 NMR chemical shifts of graphite intercalation compounds have been calculated. For acceptor types, the shifts come mainly from the paramagnetic (Ramsey) intra-atomic terms. They are related to the gross features of the two-dimensional band structures. The calculated anisotropy is about - 140 ppm and is independent of the finer details such as charge transfer. For donor types, the carbon 2p pi orbitals are spin-polarized because of mixing with metal-conduction electrons, thus there is an additional dipolar contribution which may be correlated with the electronic specific heat. The general agreement with experimental data is satisfactory.

  7. The 13C nuclear magnetic resonance in graphite intercalation compounds

    NASA Technical Reports Server (NTRS)

    Tsang, T.; Resing, H. A.

    1985-01-01

    The (13)C NMR chemical shifts of graphite intercalation compounds were calculated. For acceptor types, the shifts come mainly from the paramagnetic (Ramsey) intra-atomic terms. They are related to the gross features of the two-dimensional band structures. The calculated anisotropy is about -140 ppm and is independent of the finer details such as charge transfer. For donor types, the carbon 2p pi orbitals are spin-polarized because of mixing with metal conduction electrons, thus there is an additional dipolar contribution which may be correlated with the electronic specific heat. The general agreement with experimental data is satisfactory.

  8. Lithium Intercalation in Core-Shell Materials-Theoretical Analysis

    SciTech Connect

    Suthar, B; Subramanian, VR

    2014-03-04

    Core-shell composite structures are potential candidates for Li-ion battery electrodes as they can take advantage of materials with higher energy density and materials with higher cyclability. This paper derives an analytical solution for isotropic 1-dimensional diffusion with galvanostatic boundary condition in composite slab, cylinder and sphere using separation of variables method. A general interfacial condition has been used to represent the dynamics at the interface of the composite material rendering the solution useful for wide variety of battery materials. Using the derived analytical solution for diffusion, intercalation induced stresses were estimated for spherical core-shell materials. (C) 2014 The Electrochemical Society. All rights reserved.

  9. Highly p-doped epitaxial graphene obtained by fluorine intercalation

    NASA Astrophysics Data System (ADS)

    Walter, Andrew L.; Jeon, Ki-Joon; Bostwick, Aaron; Speck, Florian; Ostler, Markus; Seyller, Thomas; Moreschini, Luca; Kim, Yong Su; Chang, Young Jun; Horn, Karsten; Rotenberg, Eli

    2011-05-01

    We present a method for decoupling epitaxial graphene grown on SiC(0001) by intercalation of a layer of fluorine at the interface. The fluorine atoms do not enter into a covalent bond with graphene but rather saturate the substrate Si bonds. This configuration of the fluorine atoms induces a remarkably large hole density of p ≈4.5×1013 cm-2, equivalent to the location of the Fermi level at 0.79 eV above the Dirac point ED.

  10. Intercalation of graphene on iridium with sodium atoms

    NASA Astrophysics Data System (ADS)

    Rut'kov, E. V.; Gall', N. R.

    2015-06-01

    It has been shown that sodium atoms deposited on the surface of graphene atop iridium at T ≤ 850 K diffuse under the graphene layer into an intercalated state and accumulate there in significant concentrations ˜(2-3) × 1014 atoms cm-2. The release of the atoms from under the graphene "carpet" takes place upon destruction of the layer at T ≥ 1800 K. The physical nature of the differences in the processes of release of atoms of different alkali metals from under graphene has been discussed.

  11. Structural state of expanded graphite prepared from intercalation compounds

    SciTech Connect

    Teplykh, A. E. Bogdanov, S. G.; Dorofeev, Yu. A.; Pirogov, A. N.; Skryabin, Yu. N.; Makotchenko, V. G.; Nazarov, A. S.; Fedorov, V. E.

    2006-12-15

    The structural state of nanocrystalline samples of expanded graphite is investigated using X-ray diffraction and neutron diffraction analyses. The expanded graphite samples are prepared by a rapid thermal decomposition of intercalation compounds of oxidized graphite based on fluorinated graphite, graphite oxide, and graphite aminofluoride. It is established that the main phase of expanded graphite belongs to the hexagonal crystal system (space group P6{sub 3}/mmc) and that carbon atoms in the structure occupy the 2b and 2c positions. The unit cell parameters and the unit cell volume in the structure of expanded graphite samples are larger than those in the structure of massive graphite.

  12. Electrochemical impedance analysis for lithium ion intercalation into graphitized carbons

    SciTech Connect

    Chang, Y.C.; Sohn, H.J.

    2000-01-01

    Electrochemical impedance spectroscopy (EIS) was employed to study electrochemical behaviors during intercalation of Li{sup +} into graphitized carbon anode. Analysis was carried out on three regions of frequencies mainly below 0.3 V. The first depressed semicircle in the high-frequency region had two-dimensional characteristics and did not vary over the entire potential range. The second semicircle in the mid-frequency region had a potential dependency above 0.3 V. Impedance spectra at the lower frequency region were attributed to the finite diffusion of Li{sup +}, and the order of the chemical diffusion coefficient was approximately 10{sup {minus}10} cm{sup 2}/s.

  13. NLP-1: a DNA intercalating hypoxic cell radiosensitizer and cytotoxin

    SciTech Connect

    Panicucci, R.; Heal, R.; Laderoute, K.; Cowan, D.; McClelland, R.A.; Rauth, A.M.

    1989-04-01

    The 2-nitroimidazole linked phenanthridine, NLP-1 (5-(3-(2-nitro-1-imidazoyl)-propyl)-phenanthridinium bromide), was synthesized with the rationale of targeting the nitroimidazole to DNA via the phenanthridine ring. The drug is soluble in aqueous solution (greater than 25 mM) and stable at room temperature. It binds to DNA with a binding constant 1/30 that of ethidium bromide. At a concentration of 0.5 mM, NLP-1 is 8 times more toxic to hypoxic than aerobic cells at 37 degrees C. This concentration is 40 times less than the concentration of misonidazole, a non-intercalating 2-nitroimidazole, required for the same degree of hypoxic cell toxicity. The toxicity of NLP-1 is reduced at least 10-fold at 0 degrees C. Its ability to radiosensitize hypoxic cells is similar to misonidazole at 0 degrees C. Thus the putative targeting of the 2-nitroimidazole, NLP-1, to DNA, via its phenanthridine group, enhances its hypoxic toxicity, but not its radiosensitizing ability under the present test conditions. NLP-1 represents a lead compound for intercalating 2-nitroimidazoles with selective toxicity for hypoxic cells.

  14. Intercalation of cellulase enzyme into a hydrotalcite layer structure

    NASA Astrophysics Data System (ADS)

    Zou, N.; Plank, J.

    2015-01-01

    A new inorganic-organic hybrid material whereby cellulase enzyme is incorporated into a hydrotalcite type layered double hydroxide (LDH) structure is reported. The Mg2Al-cellulase-LDH was synthesized via co-precipitation from Mg/Al nitrate at pH=9.6. Characterization was performed using X-ray powder diffraction (XRD), small angle X-ray scattering (SAXS), elemental analysis, infrared spectroscopy (IR) and thermogravimetry (TG). From XRD and SAXS measurements, a d-value of ~5.0 nm was identified for the basal spacing of the Mg2Al-cellulase-LDH. Consequently, the cellulase enzyme (hydrodynamic diameter ~6.6 nm) attains a slightly compressed conformation when intercalated. Formation of the LDH hybrid was also confirmed via scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Mg2Al-cellulase-LDH phases appear as ~20 nm thin foils which are intergrown to flower-like aggregates. Activity of the enzyme was retained after deintercalation from the Mg2Al-LDH framework using anion exchange. Accordingly, cellulase is not denatured during the intercalation process, and LDH presents a suitable host structure for time-controlled release of the biomolecule.

  15. Modeling of alkyl quaternary ammonium cations intercalated into montmorillonite lattice

    SciTech Connect

    Daoudi, El Mehdi; Boughaleb, Yahia; El Gaini, Layla; Meghea, Irina; Bakasse, Mina

    2013-05-15

    Highlights: ► The modification of montmorillonites by three surfactants increases the basal spacing. ► The model proposed show a bilayer conformation for the surfactant ODTMA. ► The DODMA and TOMA surfactants adopt a paraffin type arrangement. ► Behavior of surfactants in interlayer space was confirmed by TGA and ATR analysis. - Abstract: The objective of this work was to study the conformation of the quaternary ammonium cations viz., octadecyl trimethyl ammonium (ODTMA), dioctadecyl dimethyl ammonium (DMDOA) and trioctadecyl methyl ammonium (TOMA) intercalated within montmorillonite. The modified montmorillonite was characterized by X-ray diffraction in small angle (SAXS), thermal analysis (TGA) and infrared spectroscopy of attenuated total reflection (ATR). The modification of organophilic montmorillonites by the three surfactants ODTMA, DMDOA and TOMA increases the basal spacing from their respective intercalated distances of 1.9 nm, 2.6 nm and 3.4 nm respectively. The increase in the spacing due to the basic organic modification was confirmed by the results of thermal analysis (TGA) and infrared spectroscopy (ATR), and also supported by theoretical calculations of longitudinal and transversal chain sizes of these alkyl quaternary ammonium cations.

  16. An intercalation-locked parallel-stranded DNA tetraplex

    SciTech Connect

    Tripathi, S.; Zhang, D.; Paukstelis, P. J.

    2015-01-27

    DNA has proved to be an excellent material for nanoscale construction because complementary DNA duplexes are programmable and structurally predictable. However, in the absence of Watson–Crick pairings, DNA can be structurally more diverse. Here, we describe the crystal structures of d(ACTCGGATGAT) and the brominated derivative, d(ACBrUCGGABrUGAT). These oligonucleotides form parallel-stranded duplexes with a crystallographically equivalent strand, resulting in the first examples of DNA crystal structures that contains four different symmetric homo base pairs. Two of the parallel-stranded duplexes are coaxially stacked in opposite directions and locked together to form a tetraplex through intercalation of the 5'-most A–A base pairs between adjacent G–G pairs in the partner duplex. The intercalation region is a new type of DNA tertiary structural motif with similarities to the i-motif. 1H–1H nuclear magnetic resonance and native gel electrophoresis confirmed the formation of a parallel-stranded duplex in solution. Finally, we modified specific nucleotide positions and added d(GAY) motifs to oligonucleotides and were readily able to obtain similar crystals. This suggests that this parallel-stranded DNA structure may be useful in the rational design of DNA crystals and nanostructures.

  17. An intercalation-locked parallel-stranded DNA tetraplex

    DOE PAGESBeta

    Tripathi, S.; Zhang, D.; Paukstelis, P. J.

    2015-01-27

    DNA has proved to be an excellent material for nanoscale construction because complementary DNA duplexes are programmable and structurally predictable. However, in the absence of Watson–Crick pairings, DNA can be structurally more diverse. Here, we describe the crystal structures of d(ACTCGGATGAT) and the brominated derivative, d(ACBrUCGGABrUGAT). These oligonucleotides form parallel-stranded duplexes with a crystallographically equivalent strand, resulting in the first examples of DNA crystal structures that contains four different symmetric homo base pairs. Two of the parallel-stranded duplexes are coaxially stacked in opposite directions and locked together to form a tetraplex through intercalation of the 5'-most A–A base pairs betweenmore » adjacent G–G pairs in the partner duplex. The intercalation region is a new type of DNA tertiary structural motif with similarities to the i-motif. 1H–1H nuclear magnetic resonance and native gel electrophoresis confirmed the formation of a parallel-stranded duplex in solution. Finally, we modified specific nucleotide positions and added d(GAY) motifs to oligonucleotides and were readily able to obtain similar crystals. This suggests that this parallel-stranded DNA structure may be useful in the rational design of DNA crystals and nanostructures.« less

  18. Sulfuric acid intercalated graphite oxide for graphene preparation.

    PubMed

    Hong, Yanzhong; Wang, Zhiyong; Jin, Xianbo

    2013-12-06

    Graphene has shown enormous potential for innovation in various research fields. The current chemical approaches based on exfoliation of graphite via graphite oxide (GO) are potential for large-scale synthesis of graphene but suffer from high cost, great operation difficulties, and serious waste discharge. We report a facile preparation of graphene by rapid reduction and expansion exfoliation of sulfuric acid intercalated graphite oxide (SIGO) at temperature just above 100°C in ambient atmosphere, noting that SIGO is easily available as the immediate oxidation descendent of graphite in sulfuric acid. The oxygenic and hydric groups in SIGO are mainly removed through dehydration as catalyzed by the intercalated sulfuric acid (ISA). The resultant consists of mostly single layer graphene sheets with a mean diameter of 1.07 μm after dispersion in DMF. This SIGO process is reductant free, easy operation, low-energy, environmental friendly and generates graphene with low oxygen content, less defect and high conductivity. The provided synthesis route from graphite to graphene via SIGO is compact and readily scalable.

  19. An intercalation-locked parallel-stranded DNA tetraplex

    PubMed Central

    Tripathi, Shailesh; Zhang, Daoning; Paukstelis, Paul J.

    2015-01-01

    DNA has proved to be an excellent material for nanoscale construction because complementary DNA duplexes are programmable and structurally predictable. However, in the absence of Watson–Crick pairings, DNA can be structurally more diverse. Here, we describe the crystal structures of d(ACTCGGATGAT) and the brominated derivative, d(ACBrUCGGABrUGAT). These oligonucleotides form parallel-stranded duplexes with a crystallographically equivalent strand, resulting in the first examples of DNA crystal structures that contains four different symmetric homo base pairs. Two of the parallel-stranded duplexes are coaxially stacked in opposite directions and locked together to form a tetraplex through intercalation of the 5′-most A–A base pairs between adjacent G–G pairs in the partner duplex. The intercalation region is a new type of DNA tertiary structural motif with similarities to the i-motif. 1H–1H nuclear magnetic resonance and native gel electrophoresis confirmed the formation of a parallel-stranded duplex in solution. Finally, we modified specific nucleotide positions and added d(GAY) motifs to oligonucleotides and were readily able to obtain similar crystals. This suggests that this parallel-stranded DNA structure may be useful in the rational design of DNA crystals and nanostructures. PMID:25628357

  20. Resistivity of pristine and intercalated graphite fiber epoxy composites

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Hambourger, Paul D.; Slabe, Melissa E.

    1989-01-01

    Laminar composites were fabricated from pristine and bromine intercalated Amoco P-55, P-75, and P-100 graphite fibers and Hysol-Grafil EAG101-1 film epoxy. The thickness and r.f. eddy current resistivity of several samples were measured at grid points and averaged point by point to obtain final values. Although the values obtained this way have high precision (less than 3 percent deviation), the resistivity values appear to be 20 to 90 percent higher than resistivities measured on high aspect ratio samples using multi-point techniques, and by those predicted by theory. The temperature dependence of the resistivity indicates that the fibers are neither damaged nor deintercalated by the composite fabrication process. The resistivity of the composites is a function of sample thickness (i.e., resin content). Composite resistivity is dominated by fiber resistivity, so lowering the resistivity of the fibers, either through increased graphitization or intercalation, results in a lower composite resistivity. A modification of the simple rule of mixtures model appears to predict the conductivity of high aspect ratio samples measured along a fiber direction, but a directional dependence appears which is not predicted by the theory. The resistivity of these materials is clearly more complex than that of homogeneous materials.

  1. Strong magneto-crystalline anisotropy in transition metal intercalated dichalcogenides

    NASA Astrophysics Data System (ADS)

    Loganathan, Vaideesh; Nevidomskyy, Andriy; Zhu, Jian-Xin

    2015-03-01

    A figure of merit for hard ferromagnets is proportional to the magneto-crystalline anisotropy energy (MAE), which measures the energy cost of deviations from easy-axis magnetization. Materials containing elements with strong spin-orbit coupling and large ordered moment have been found to be strongly anisotropic. Due to the scarce availability of rare earths, hard magnets without rare earths are desirable, and intercalated metal dichalcogenides, A0 . 25 MS2 (A=Fe,Mn; M=Ta,Nb), are one such candidate. We have performed first-principles LDA+U calculations on these materials. The MAE was calculated using two approaches, from the total energy difference between easy and hard magnetic directions using the non-collinear method; and using the torque method. Along with a saturated moment of 4 μB , we find MAE of about 10meV. This corresponds to an anisotropy field of about 60 T, comparable to those of rare-earth magnets. Substitution of Ta with Nb yields minor change in MAE, suggesting that the spin-orbit coupling effect contributes less to the anisotropy than the crystal structure. We find that the MAE in Fe intercalated compounds strongly depends on the value of the Hubbard U. We also study the effect on MAE of lattice strain, which can be used to tune the anisotropy.

  2. Duplex-Selective Ruthenium-based DNA Intercalators

    PubMed Central

    Shade, Chad M.; Kennedy, Robert D.; Rouge, Jessica L.; Rosen, Mari S.; Wang, Mary X.; Seo, Soyoung E.; Clingerman, Daniel J.

    2016-01-01

    We report the design and synthesis of small molecules that exhibit enhanced luminescence in the presence of duplex rather than single-stranded DNA. The local environment presented by a well-known [Ru(dipyrido[2,3-a:3',2'-c]phenazine)L2]2+-based DNA intercalator was modified by functionalizing the bipyridine ligands with esters and carboxylic acids. By systematically varying the number and charge of the pendant groups, it was determined that decreasing the electrostatic interaction between the intercalator and the anionic DNA backbone reduced single-strand interactions and translated to better duplex specificity. In studying this class of complexes, a single RuII complex emerged that selectively luminesces in the presence of duplex DNA with little to no background from interacting with single stranded DNA. This complex shows promise as a new dye capable of selectively staining double versus single-stranded DNA in gel electrophoresis, which cannot be done with conventional SYBR dyes. PMID:26119581

  3. Role of the intercalated disc in cardiac propagation and arrhythmogenesis

    PubMed Central

    Kleber, Andre G.; Saffitz, Jeffrey E.

    2014-01-01

    This review article discusses mechanisms underlying impulse propagation in cardiac muscle with specific emphasis on the role of the cardiac cell-to-cell junction, called the “intercalated disc.”The first part of this review deals with the role of gap junction channels, formed by connexin proteins, as a determinant of impulse propagation. It is shown that, depending on the underlying structure of the cellular network, decreasing the conductance of gap junction channels (so-called “electrical uncoupling”) may either only slow, or additionally stabilize propagation and reverse unidirectional propagation block to bidirectional propagation. This is because the safety factor for propagation increases with decreasing intercellular electrical conductance. The role of heterogeneous connexin expression, which may be present in disease states, is also discussed. The hypothesis that so-called ephaptic impulse transmission plays a role in heart and can substitute for electrical coupling has been revived recently. Whereas ephaptic transmission can be demonstrated in theoretical simulations, direct experimental evidence has not yet been presented. The second part of this review deals with the interaction of three protein complexes at the intercalated disc: (1) desmosomal and adherens junction proteins, (2) ion channel proteins, and (3) gap junction channels consisting of connexins. Recent work has revealed multiple interactions between these three protein complexes which occur, at least in part, at the level of protein trafficking. Such interactions are likely to play an important role in the pathogenesis of arrhythmogenic cardiomyopathy, and may reveal new therapeutic concepts and targets. PMID:25368581

  4. Sulfuric Acid Intercalated Graphite Oxide for Graphene Preparation

    NASA Astrophysics Data System (ADS)

    Hong, Yanzhong; Wang, Zhiyong; Jin, Xianbo

    2013-12-01

    Graphene has shown enormous potential for innovation in various research fields. The current chemical approaches based on exfoliation of graphite via graphite oxide (GO) are potential for large-scale synthesis of graphene but suffer from high cost, great operation difficulties, and serious waste discharge. We report a facile preparation of graphene by rapid reduction and expansion exfoliation of sulfuric acid intercalated graphite oxide (SIGO) at temperature just above 100°C in ambient atmosphere, noting that SIGO is easily available as the immediate oxidation descendent of graphite in sulfuric acid. The oxygenic and hydric groups in SIGO are mainly removed through dehydration as catalyzed by the intercalated sulfuric acid (ISA). The resultant consists of mostly single layer graphene sheets with a mean diameter of 1.07 μm after dispersion in DMF. This SIGO process is reductant free, easy operation, low-energy, environmental friendly and generates graphene with low oxygen content, less defect and high conductivity. The provided synthesis route from graphite to graphene via SIGO is compact and readily scalable.

  5. Sulfuric Acid Intercalated Graphite Oxide for Graphene Preparation

    PubMed Central

    Hong, Yanzhong; Wang, Zhiyong; Jin, Xianbo

    2013-01-01

    Graphene has shown enormous potential for innovation in various research fields. The current chemical approaches based on exfoliation of graphite via graphite oxide (GO) are potential for large-scale synthesis of graphene but suffer from high cost, great operation difficulties, and serious waste discharge. We report a facile preparation of graphene by rapid reduction and expansion exfoliation of sulfuric acid intercalated graphite oxide (SIGO) at temperature just above 100°C in ambient atmosphere, noting that SIGO is easily available as the immediate oxidation descendent of graphite in sulfuric acid. The oxygenic and hydric groups in SIGO are mainly removed through dehydration as catalyzed by the intercalated sulfuric acid (ISA). The resultant consists of mostly single layer graphene sheets with a mean diameter of 1.07 μm after dispersion in DMF. This SIGO process is reductant free, easy operation, low-energy, environmental friendly and generates graphene with low oxygen content, less defect and high conductivity. The provided synthesis route from graphite to graphene via SIGO is compact and readily scalable. PMID:24310650

  6. Electron Beam Irradiated Intercalated CNT Yarns For Aerospace Applications

    NASA Technical Reports Server (NTRS)

    Waters, Deborah L.; Gaier, James R.; Williams, Tiffany S.; Lopez Calero, Johnny E.; Ramirez, Christopher; Meador, Michael A.

    2015-01-01

    Multi-walled CNT yarns have been experimentally and commercially created to yield lightweight, high conductivity fibers with good tensile properties for application as electrical wiring and multifunctional tendons. Multifunctional tendons are needed as the cable structures in tensegrity robots for use in planetary exploration. These lightweight robust tendons can provide mechanical strength for movement of the robot in addition to power distribution and data transmission. In aerospace vehicles, such as Orion, electrical wiring and harnessing mass can approach half of the avionics mass. Use of CNT yarns as electrical power and data cables could reduce mass of the wiring by thirty to seventy percent. These fibers have been intercalated with mixed halogens to increase their specific electrical conductivity to that near copper. This conductivity, combined with the superior strength and fatigue resistance makes it an attractive alternative to copper for wiring and multifunctional tendon applications. Electron beam irradiation has been shown to increase mechanical strength in pristine CNT fibers through increased cross-linking. Both pristine and intercalated CNT yarns have been irradiated using a 5-megavolt electron beam for various durations and the conductivities and tensile properties will be discussed. Structural information obtained using a field emission scanning electron microscope, energy dispersive X-ray spectroscopy (EDS), and Raman spectroscopy will correlate microstructural details with bulk properties.

  7. Synthesis and Catalytic Performance of Gold Intercalated in the Walls of Mesoporous Silica.

    PubMed

    Ji, Yazhou; Caskey, Christopher; Richards, Ryan M

    2015-01-01

    As a promising catalytically active nano reactor, gold nanoparticles intercalated in mesoporous silica (GMS) were successfully synthesized and properties of the materials were investigated. We used a one pot sol-gel approach to intercalate gold nano particles in the walls of mesoporous silica. To start with the synthesis, P123 was used as template to form micelles. Then TESPTS was used as a surface modification agent to intercalate gold nano particles. Following this process, TEOS was added in as a silica source which underwent a polymerization process in acid environment. After hydrothermal processing and calcination, the final product was acquired. Several techniques were utilized to characterize the porosity, morphology and structure of the gold intercalated mesoporous silica. The results showed a stable structure of mesoporous silica after gold intercalation. Through the oxidation of benzyl alcohol as a benchmark reaction, the GMS materials showed high selectivity and recyclability.

  8. Oxygen Intercalation of Graphene on Transition Metal Substrate: An Edge-Limited Mechanism.

    PubMed

    Ma, Liang; Zeng, Xiao Cheng; Wang, Jinlan

    2015-10-15

    Oxygen intercalation has been proven to be an efficient experimental approach to decouple chemical vapor deposition grown graphene from metal substrate with mild damage, thereby enabling graphene transfer. However, the mechanism of oxygen intercalation and associated rate-limiting step are still unclear on the molecular level. Here, by using density functional theory, we evaluate the thermodynamics stability of graphene edge on transition metal surface in the context of oxygen and explore various reaction pathways and energy barriers, from which we can identify the key steps as well as the roles of metal passivated graphene edges during the oxygen intercalation. Our calculations suggest that in well-controlled experimental conditions, oxygen atoms can be easily intercalated through either zigzag or armchair graphene edges on metal surface, whereas the unwanted graphene oxidation etching can be suppressed. Oxygen intercalation is, thus, an efficient and low-damage way to decouple graphene from a metal substrate while it allows reusing metal substrate for graphene growth.

  9. Solar flare discovery

    NASA Technical Reports Server (NTRS)

    Hudson, Hugh S.

    1987-01-01

    This paper considers the discoveries that have appreciably changed our understanding of the physics of solar flares. A total of 42 discoveries from all disciplines, ranging from Galileo's initial observation of faculae to the recent discovery of strong limb brightening in 10-MeV gamma-radiation, are identified. The rate of discovery increased dramatically over the past four decades as new observational tools became available. The assessment of significance suggests that recent discoveries -though more numerous - are individually less significant; perhaps this is because the minor early discoveries tend to be taken for granted.

  10. Elements of discovery.

    PubMed

    Toledo-Pereyra, Luis H

    2008-01-01

    I understand discovery as the essence of thinking man, or to paraphrase the notable French philosopher René Descartes, "I think, therefore I discover." In this study, I introduce discovery as the foundation of modern science. Discovery consists of six stages or elements, including: concept, belief, ability, support, proof, and protection. Each element is discussed within the context of the whole discovery enterprise. Fundamental tenets for understanding discovery are given throughout the paper, and a few examples illustrate the significance of some of the most important elements. I invite clinicians, researchers, and/or clinical researchers to integrate themselves into the active process of discovery. Remember--I think, therefore I discover.

  11. Copper-Intercalated Birnessite as a Water Oxidation Catalyst.

    PubMed

    Thenuwara, Akila C; Shumlas, Samantha L; Attanayake, Nuwan H; Cerkez, Elizabeth B; McKendry, Ian G; Frazer, Laszlo; Borguet, Eric; Kang, Qing; Zdilla, Michael J; Sun, Jianwei; Strongin, Daniel R

    2015-11-24

    We report a synthetic method to increase the catalytic activity of birnessite toward water oxidation by intercalating copper in the interlayer region of the layered manganese oxide. Intercalation of copper, verified by XRD, XPS, ICP, and Raman spectroscopy, was accomplished by exposing a suspension of birnessite to a Cu(+)-bearing precursor molecule that underwent disproportionation in solution to yield Cu(0) and Cu(2+). Electrocatalytic studies showed that the Cu-modified birnessite exhibited an overpotential for water oxidation of ∼490 mV (at 10 mA/cm(2)) and a Tafel slope of 126 mV/decade compared to ∼700 mV (at 10 mA/cm(2)) and 240 mV/decade, respectively, for birnessite without copper. Impedance spectroscopy results suggested that the charge transfer resistivity of the Cu-modified sample was significantly lower than Cu-free birnessite, suggesting that Cu in the interlayer increased the conductivity of birnessite leading to an enhancement of water oxidation kinetics. Density functional theory calculations show that the intercalation of Cu(0) into a layered MnO2 model structure led to a change of the electronic properties of the material from a semiconductor to a metallic-like structure. This conclusion from computation is in general agreement with the aforementioned impedance spectroscopy results. X-ray photoelectron spectroscopy (XPS) showed that Cu(0) coexisted with Cu(2+) in the prepared Cu-modified birnessite. Control experiments using birnessite that was decorated with only Cu(2+) showed a reduction in water oxidation kinetics, further emphasizing the importance of Cu(0) for the increased activity of birnessite. The introduction of Cu(0) into the birnessite structure also increased the stability of the electrocatalyst. At a working current of 2 mA, the Cu-modified birnessite took ∼3 times longer for the overpotential for water oxdiation to increase by 100 mV compared to when Cu was not present in the birnessite. PMID:26477450

  12. Superconductivity and Intercalation State in the Lithium-Hexamethylenediamine-Intercalated Superconductor Lix(C6H16N2)yFe2-zSe2: Dependence on the Intercalation Temperature and Lithium Content

    NASA Astrophysics Data System (ADS)

    Hosono, Shohei; Noji, Takashi; Hatakeda, Takehiro; Kawamata, Takayuki; Kato, Masatsune; Koike, Yoji

    2016-10-01

    The superconductivity and intercalation statein the lithium-and hexamethylenediamine (HMDA)-intercalated superconductor Li$_x$(C$_6$H$_{16}$N$_2$)$_y$Fe$_{2-z}$Se$_2$ have been investigated from powder x-ray diffraction, thermogravimetric and magnetic susceptibility measurements, changing the intercalation temperature, $T_i$, and the Li content, $x$. Both Li and HMDA have been co-intercalated stably up to $x$ = 2 roughly in the molar ratio of $x : y = 2 : 1$. In the case of $T_i$ = 45$^\\circ$C, it has been found that both Li and HMDA are co-intercalated locally at the edge of FeSe crystals, indicating that both Li and HMDA are hard to diffuse into the inside of FeSe crystals at 45$^\\circ$C. In the case of $T_i$ = 100$^\\circ$C, on the other hand, it has been found that both Li and HMDA diffuse into the inside of FeSe crystals, so that $T_c$ tends to increase with increasing $x$ from ~30 K at $x$ = 1 up to 38 K at $x$ = 2 owing to the increase of electron carriers doped from Li into the FeSe layers.

  13. Dielectric properties of halloysite and halloysite-formamide intercalate

    SciTech Connect

    Adamczyk, M. Rok, M.; Wolny, A.; Orzechowski, K.

    2014-01-14

    Due to a high increase in electromagnetic pollution, the protection from non-ionizing electromagnetic radiation (EMR) represents an important problem of contemporary environmental science. We are searching for natural materials with the potential for EMR screening. We have discovered that hydro-halloysite has interesting properties as an EMR absorber. Unfortunately, it is a very unstable material. Drying it for even a short period of time leads to the loss of desired properties. In the paper, we have demonstrated that the intercalation of halloysite (the process of introducing guest molecules into the mineral structure) makes it possible to recover the ability to absorb an electromagnetic wave and obtain a promising material for electromagnetic field shielding applications.

  14. Gas insulated transmission line having low inductance intercalated sheath

    DOEpatents

    Cookson, Alan H.

    1978-01-01

    A gas insulated transmission line including an outer sheath, an inner conductor disposed within the outer sheath, and an insulating gas between the inner conductor and the outer sheath. The outer sheath comprises an insulating tube having first and second ends, and having interior and exterior surfaces. A first electrically conducting foil is secured to the interior surface of the insulating tube, is spirally wound from one tube end to the second tube end, and has a plurality of overlapping turns. A second electrically conducting foil is secured to the exterior surface of the insulating tube, and is spirally wound in the opposite direction from the first electrically conducting foil. By winding the foils in opposite directions, the inductances within the intercalated sheath will cancel each other out.

  15. Morphology and Structure of Amino-fatty Acid Intercalated Montmorillonite

    NASA Astrophysics Data System (ADS)

    Reyes, Larry; Sumera, Florentino

    2015-04-01

    Natural clays and its modified forms have been studied for their wide range of applications, including polymer-layered silicate, catalysts and adsorbents. For nanocomposite production, montmorillonite (MMT) clays are often modified with organic surfactants to favor its intermixing with the polymer matrix. In the present study, Na+-montmorillonite (Na+-MMT) was subjected to organo-modification with a protonated 12-aminolauric acid (12-ALA). The amount of amino fatty acid surfactants loaded was 25, 50, 100 and 200% the cation exchange capacity (CEC) of Na+-MMT (25CEC-AMMT, 50CEC-AMMT, 100CEC-AMMT and 200CEC-AMMT). Fatty acid-derived surfactants are an attractive resource of intercalating agents for clays due to their renewability and abundance. X-ray diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FTIR) were performed to determine the occurrence of intercalation of 12-ALA and their molecular structure in the clay's silicates. XRD analysis revealed that the interlayer spacing between the alumino-silicate layers increased from 1.25 nm to 1.82 nm with increasing ALA content. The amino fatty acid chains were considered to be in a flat monolayer structure at low surfactant loading, and a bilayered to a pseudotrilayered structure at high surfactant loading. On the other hand, FTIR revealed that the alkyl chains adopt a gauche conformation, indicating their disordered state based on their CH2symmetric and asymmetric vibrations. Thermogravimetric analyses (TGA) allows the determination of the moisture and organic content in clays. Here, TGA revealed that the surfactant in the clay was thermally stable, with Td ranging from 353° C to 417° C. The difference in the melting behavior of the pristine amino fatty acids and confined fatty acids in the interlayer galleries of the clay were evaluated by Differential Scanning Calorimerty (DSC). The melting temperatures (Tm) of the amino fatty acid in the clay were initially found to be higher than those of the free

  16. Tuning thermal conductivity in molybdenum disulfide by electrochemical intercalation

    PubMed Central

    Zhu, Gaohua; Liu, Jun; Zheng, Qiye; Zhang, Ruigang; Li, Dongyao; Banerjee, Debasish; Cahill, David G.

    2016-01-01

    Thermal conductivity of two-dimensional (2D) materials is of interest for energy storage, nanoelectronics and optoelectronics. Here, we report that the thermal conductivity of molybdenum disulfide can be modified by electrochemical intercalation. We observe distinct behaviour for thin films with vertically aligned basal planes and natural bulk crystals with basal planes aligned parallel to the surface. The thermal conductivity is measured as a function of the degree of lithiation, using time-domain thermoreflectance. The change of thermal conductivity correlates with the lithiation-induced structural and compositional disorder. We further show that the ratio of the in-plane to through-plane thermal conductivity of bulk crystal is enhanced by the disorder. These results suggest that stacking disorder and mixture of phases is an effective mechanism to modify the anisotropic thermal conductivity of 2D materials. PMID:27767030

  17. An enhanced hydrogen adsorption enthalpy for fluoride intercalated graphite compounds.

    PubMed

    Cheng, Hansong; Sha, Xianwei; Chen, Liang; Cooper, Alan C; Foo, Maw-Lin; Lau, Garret C; Bailey, Wade H; Pez, Guido P

    2009-12-16

    We present a combined theoretical and experimental study on H(2) physisorption in partially fluorinated graphite. This material, first predicted computationally using ab initio molecular dynamics simulation and subsequently synthesized and characterized experimentally, represents a novel class of "acceptor type" graphite intercalated compounds that exhibit significantly higher isosteric heat of adsorption for H(2) at near ambient temperatures than previously demonstrated for commonly available porous carbon-based materials. The unusually strong interaction arises from the semi-ionic nature of the C-F bonds. Although a high H(2) storage capacity (>4 wt %) at room temperature is predicted not to be feasible due to the low heat of adsorption, enhanced storage properties can be envisaged by doping the graphitic host with appropriate species to promote higher levels of charge transfer from graphene to F(-) anions. PMID:19928879

  18. Many electron correlations in stage-1 graphene intercalation compounds

    SciTech Connect

    Acharya, Sidharth Sharma, Raman

    2015-05-15

    Many electron correlations in stage-1 graphene intercalation compounds (GICs) are studied in generalized-random-phase-approximation. With this approximation, we are able to study short range exchange and correlation effects in GICs. These exchange correlations leads to BCS superconducting states in which one electron correlates with another via its correlation hole to form a stable pair of electrons known as Cooper pair. Cooper pair energies are calculated as the excitations in S(q,ω) following a method similar to exciton energy calculations. Short range effects governing local field correction G(q,ω) are studied for all wave vectors and frequencies. We have found a reasonable agreement between our results and the earlier theoretical results.

  19. Dielectric properties of halloysite and halloysite-formamide intercalate

    NASA Astrophysics Data System (ADS)

    Adamczyk, M.; Rok, M.; Wolny, A.; Orzechowski, K.

    2014-01-01

    Due to a high increase in electromagnetic pollution, the protection from non-ionizing electromagnetic radiation (EMR) represents an important problem of contemporary environmental science. We are searching for natural materials with the potential for EMR screening. We have discovered that hydro-halloysite has interesting properties as an EMR absorber. Unfortunately, it is a very unstable material. Drying it for even a short period of time leads to the loss of desired properties. In the paper, we have demonstrated that the intercalation of halloysite (the process of introducing guest molecules into the mineral structure) makes it possible to recover the ability to absorb an electromagnetic wave and obtain a promising material for electromagnetic field shielding applications.

  20. Dry synthesis of lithium intercalated graphite powders and carbon fibers

    SciTech Connect

    Sacci, Robert L; Adamczyk, Leslie A; Veith, Gabriel M; Dudney, Nancy J

    2014-01-01

    Herein we describe the direct synthesis of lithium intercalated graphite by heating under vacuum or ball milling under pressurized Ar(g). Both methods allow for stoichometric control of Li-C ratio in batter-grade graphites and carbon fibers prior formation of a solid electrolyte interphase. The products' surface chemistries, as probed by XPS, suggest that LiC6 are extremely reactive with trace amounts of moisture or oxygen. The open circuit potential and SEM data show that the reactivity of the lithiated battery-grade graphite and the carbon fiber can be related to the density of edge/defect sites on the surfaces. Preliminary results of spontaneous SEI formation on Li-graphite in electrolyte are also given.

  1. Intercalation of graphene on iridium with samarium atoms

    NASA Astrophysics Data System (ADS)

    Afanas'eva, E. Yu.; Rut'kov, E. V.; Gall, N. R.

    2016-07-01

    Intercalation of graphene on Ir (111) with Sm atoms is studied by methods of thermal desorption spectroscopy and thermionic emission. It is shown that adsorption of samarium at T = 300 K on graphene to concentrations of N ≤ 6 × 1014 atoms cm-2 followed by heating of the substrate leads to practically complete escape of adsorbate underneath the graphene layer. At N > 6 × 1014 atoms cm-2 and increasing temperature, a fraction of adsorbate remains on graphene in the form of two-dimensional "gas" and samarium islands and are desorbed in the range of temperatures of 1000-1200 K. Samarium remaining under the graphene is desorbed from the surface in the temperature range 1200-2150 K. Model conceptions for the samarium-graphene-iridium system in a wide temperature range are developed.

  2. Advantages of GPU technology in DFT calculations of intercalated graphene

    NASA Astrophysics Data System (ADS)

    Pešić, J.; Gajić, R.

    2014-09-01

    Over the past few years, the expansion of general-purpose graphic-processing unit (GPGPU) technology has had a great impact on computational science. GPGPU is the utilization of a graphics-processing unit (GPU) to perform calculations in applications usually handled by the central processing unit (CPU). Use of GPGPUs as a way to increase computational power in the material sciences has significantly decreased computational costs in already highly demanding calculations. A level of the acceleration and parallelization depends on the problem itself. Some problems can benefit from GPU acceleration and parallelization, such as the finite-difference time-domain algorithm (FTDT) and density-functional theory (DFT), while others cannot take advantage of these modern technologies. A number of GPU-supported applications had emerged in the past several years (www.nvidia.com/object/gpu-applications.html). Quantum Espresso (QE) is reported as an integrated suite of open source computer codes for electronic-structure calculations and materials modeling at the nano-scale. It is based on DFT, the use of a plane-waves basis and a pseudopotential approach. Since the QE 5.0 version, it has been implemented as a plug-in component for standard QE packages that allows exploiting the capabilities of Nvidia GPU graphic cards (www.qe-forge.org/gf/proj). In this study, we have examined the impact of the usage of GPU acceleration and parallelization on the numerical performance of DFT calculations. Graphene has been attracting attention worldwide and has already shown some remarkable properties. We have studied an intercalated graphene, using the QE package PHonon, which employs GPU. The term ‘intercalation’ refers to a process whereby foreign adatoms are inserted onto a graphene lattice. In addition, by intercalating different atoms between graphene layers, it is possible to tune their physical properties. Our experiments have shown there are benefits from using GPUs, and we reached an

  3. A new way to synthesize superconducting metal-intercalated C60 and FeSe.

    PubMed

    Takahei, Yuuki; Tomita, Keitaro; Itoh, Yugo; Ashida, Keishi; Lee, Ji-Hyun; Nishimoto, Naoki; Kimura, Takumi; Kudo, Kazutaka; Nohara, Minoru; Kubozono, Yoshihiro; Kambe, Takashi

    2016-01-06

    Doping with the optimum concentration of carriers (electrons or holes) can modify the physical properties of materials. Therefore, improved ways to achieve carrier doping have been pursued extensively for more than 50 years. Metal-intercalation is one of the most important techniques for electron doping of organic / inorganic solids, and has produced superconductors from insulators and metallic solids. The most successful examples are metal-intercalated graphite and C60 superconductors. Metal intercalation has been performed using solid-reaction and liquid solvent techniques. However, precise control of the quantity of intercalants in the target solids can be difficult to achieve using these methods, as that quantity depends largely on the initial conditions. Here we report an electrochemical method for metal-intercalation, and demonstrate the preparation of superconductors using organic and inorganic materials (C60 and FeSe). The metal atoms are effectively intercalated into the spaces in C60 and FeSe solids by supplying an electric current between electrodes in a solvent that includes electrolytes. The recorded superconducting transition temperatures, Tc's, were the same as those of metal-intercalated C60 and FeSe prepared using solid-reaction or liquid solvent techniques. This technique may open a new avenue in the search for organic / inorganic superconductors.

  4. Synthesis and characterization of montmorillonite clay intercalated with molecular magnetic compounds

    SciTech Connect

    Martins, Marcel G.; Martins, Daniel O.T.A.; Carvalho, Beatriz L.C. de; Mercante, Luiza A.; Soriano, Stéphane; Andruh, Marius; Vieira, Méri D.; Vaz, Maria G.F.

    2015-08-15

    In this work montmorillonite (MMT) clay, whose matrix was modified with an ammonium salt (hexadecyltrimethylammonium bromide – CTAB), was employed as an inorganic host for the intercalation of three different molecular magnetic compounds through ion exchange: a nitronyl nitroxide derivative 2-[4-(N-ethyl)-pyridinium]-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (p-EtRad{sup +}) and two binuclear coordination compounds, [Ni(valpn)Ln]{sup 3+}, where H{sub 2}valpn stands for 1,3-propanediyl-bis(2-iminomethylene-6-methoxy-phenol), and Ln=Gd{sup III}; Dy{sup III}. The pristine MMT and the intercalated materials were characterized by X-ray powder diffraction (XRD), infrared spectroscopy (IR), scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and magnetic measurements. The X-ray diffraction data analysis showed an increase of the interlamellar space of the intercalated MMT, indicating the intercalation of the magnetic compounds. Furthermore, the magnetic properties of the hybrid compounds were investigated, showing similar behavior as the pure magnetic guest species. - Graphical abstract: Montmorillonite clay was employed as inorganic host for the intercalation of three different molecular magnetic compounds through ion exchange - Highlights: • Montmorillonite was employed as a host material. • Three molecular magnetic compounds were intercalated through ion exchange. • The compounds were successful intercalated maintaining the layered structure. • The hybrid materials exhibited similar magnetic behavior as the pure magnetic guest.

  5. Single-molecule kinetics and footprinting of DNA bis-intercalation: the paradigmatic case of Thiocoraline

    PubMed Central

    Camunas-Soler, Joan; Manosas, Maria; Frutos, Silvia; Tulla-Puche, Judit; Albericio, Fernando; Ritort, Felix

    2015-01-01

    DNA bis-intercalators are widely used in molecular biology with applications ranging from DNA imaging to anticancer pharmacology. Two fundamental aspects of these ligands are the lifetime of the bis-intercalated complexes and their sequence selectivity. Here, we perform single-molecule optical tweezers experiments with the peptide Thiocoraline showing, for the first time, that bis-intercalation is driven by a very slow off-rate that steeply decreases with applied force. This feature reveals the existence of a long-lived (minutes) mono-intercalated intermediate that contributes to the extremely long lifetime of the complex (hours). We further exploit this particularly slow kinetics to determine the thermodynamics of binding and persistence length of bis-intercalated DNA for a given fraction of bound ligand, a measurement inaccessible in previous studies of faster intercalating agents. We also develop a novel single-molecule footprinting technique based on DNA unzipping and determine the preferred binding sites of Thiocoraline with one base-pair resolution. This fast and radiolabelling-free footprinting technique provides direct access to the binding sites of small ligands to nucleic acids without the need of cleavage agents. Overall, our results provide new insights into the binding pathway of bis-intercalators and the reported selectivity might be of relevance for this and other anticancer drugs interfering with DNA replication and transcription in carcinogenic cell lines. PMID:25690887

  6. A new way to synthesize superconducting metal-intercalated C60 and FeSe

    NASA Astrophysics Data System (ADS)

    Takahei, Yuuki; Tomita, Keitaro; Itoh, Yugo; Ashida, Keishi; Lee, Ji-Hyun; Nishimoto, Naoki; Kimura, Takumi; Kudo, Kazutaka; Nohara, Minoru; Kubozono, Yoshihiro; Kambe, Takashi

    2016-01-01

    Doping with the optimum concentration of carriers (electrons or holes) can modify the physical properties of materials. Therefore, improved ways to achieve carrier doping have been pursued extensively for more than 50 years. Metal-intercalation is one of the most important techniques for electron doping of organic / inorganic solids, and has produced superconductors from insulators and metallic solids. The most successful examples are metal-intercalated graphite and C60 superconductors. Metal intercalation has been performed using solid-reaction and liquid solvent techniques. However, precise control of the quantity of intercalants in the target solids can be difficult to achieve using these methods, as that quantity depends largely on the initial conditions. Here we report an electrochemical method for metal-intercalation, and demonstrate the preparation of superconductors using organic and inorganic materials (C60 and FeSe). The metal atoms are effectively intercalated into the spaces in C60 and FeSe solids by supplying an electric current between electrodes in a solvent that includes electrolytes. The recorded superconducting transition temperatures, Tc’s, were the same as those of metal-intercalated C60 and FeSe prepared using solid-reaction or liquid solvent techniques. This technique may open a new avenue in the search for organic / inorganic superconductors.

  7. Single-molecule kinetics and footprinting of DNA bis-intercalation: the paradigmatic case of Thiocoraline.

    PubMed

    Camunas-Soler, Joan; Manosas, Maria; Frutos, Silvia; Tulla-Puche, Judit; Albericio, Fernando; Ritort, Felix

    2015-03-11

    DNA bis-intercalators are widely used in molecular biology with applications ranging from DNA imaging to anticancer pharmacology. Two fundamental aspects of these ligands are the lifetime of the bis-intercalated complexes and their sequence selectivity. Here, we perform single-molecule optical tweezers experiments with the peptide Thiocoraline showing, for the first time, that bis-intercalation is driven by a very slow off-rate that steeply decreases with applied force. This feature reveals the existence of a long-lived (minutes) mono-intercalated intermediate that contributes to the extremely long lifetime of the complex (hours). We further exploit this particularly slow kinetics to determine the thermodynamics of binding and persistence length of bis-intercalated DNA for a given fraction of bound ligand, a measurement inaccessible in previous studies of faster intercalating agents. We also develop a novel single-molecule footprinting technique based on DNA unzipping and determine the preferred binding sites of Thiocoraline with one base-pair resolution. This fast and radiolabelling-free footprinting technique provides direct access to the binding sites of small ligands to nucleic acids without the need of cleavage agents. Overall, our results provide new insights into the binding pathway of bis-intercalators and the reported selectivity might be of relevance for this and other anticancer drugs interfering with DNA replication and transcription in carcinogenic cell lines. PMID:25690887

  8. Synthesis of reduced graphene oxide intercalated ZnO quantum dots nanoballs for selective biosensing detection

    NASA Astrophysics Data System (ADS)

    Chen, Jing; Zhao, Minggang; Li, Yingchun; Fan, Sisi; Ding, Longjiang; Liang, Jingjing; Chen, Shougang

    2016-07-01

    ZnO quantum dots (QDs), reduced graphene oxide (rGO) and multi-walled carbon nanotubes (MWCNTs) are always used in sensors due to their excellent electrochemical characteristics. In this work, ZnO QDs were intercalated by rGO sheets with cross-linked MWCNTs to construct intercalation nanoballs. A MWCNTs/rGO/ZnO QDs 3D hierarchical architecture was fabricated on supporting Ni foam, which exhibited excellent mechanical, kinetic and electrochemical properties. The intercalation construction can introduce strong interfacial effects to improve the surface electronic state. The selectively determinate of uric acid, dopamine, and ascorbic acid by an electrode material using distinct applied potentials was realized.

  9. High voltage and high specific capacity dual intercalating electrode Li-ion batteries

    NASA Technical Reports Server (NTRS)

    West, William C. (Inventor); Blanco, Mario (Inventor)

    2010-01-01

    The present invention provides high capacity and high voltage Li-ion batteries that have a carbonaceous cathode and a nonaqueous electrolyte solution comprising LiF salt and an anion receptor that binds the fluoride ion. The batteries can comprise dual intercalating electrode Li ion batteries. Methods of the present invention use a cathode and electrode pair, wherein each of the electrodes reversibly intercalate ions provided by a LiF salt to make a high voltage and high specific capacity dual intercalating electrode Li-ion battery. The present methods and systems provide high-capacity batteries particularly useful in powering devices where minimizing battery mass is important.

  10. Unique properties of α-NaFeO{sub 2}: De-intercalation of sodium via hydrolysis and the intercalation of guest molecules into the extract solution

    SciTech Connect

    Monyoncho, Evans; Bissessur, Rabin

    2013-07-15

    Graphical abstract: - Highlights: • Facile de-intercalating Na from NaFeO2. • Formation of layered sodium hydrogen carbonate hydrate. • Intercalation chemistry on layered sodium hydrogen carbonate hydrate. - Abstract: We report on a versatile method for the de-intercalation of Na from α-NaFeO{sub 2} by using water to produce α-Na{sub 1−x}FeO{sub 2}, where x ≈ 1. This de-intercalation technique provides an excellent route to ion exchange Na with other metal ions in α-NaFeO{sub 2}. The hydrolysis mechanism is provided. We show that the extracted solution captures CO{sub 2} from the atmosphere leading to the formation of sodium hydrogen carbonate hydrate crystals. The lamellar structure of the hydrate crystals was confirmed by powder X-ray diffraction, and were found Na-deficient via elemental analysis. Intercalation of guest molecules such as polymers, alcohols, and inorganic ions into the gallery space of the newly formed sodium hydrogen carbonate hydrate crystals was demonstrated by the use of powder X-ray diffraction technique. The reported materials were also characterized by Mössbauer spectroscopy, thermogravimetric analysis, differential scanning calorimetry, infrared spectroscopy, X-ray photoelectron spectroscopy, and scanning electron microscopy.

  11. Graphite intercalation with fluoroanions by chemical and electrochemical methods

    NASA Astrophysics Data System (ADS)

    Ozmen-Monkul, Bahar

    New acceptor-type graphite intercalation compounds (GICs) containing perfluoroalkyl anions have been synthesized by using both chemical and electrochemical methods and characterized by elemental and thermogravimetric analyses. Investigation into these graphite intercalation compounds can provide novel materials and a detailed understanding of their properties. GICs of composition Cx[FB(C2F 5)3]·deltaF are prepared for the first time by the intercalation of fluoro-tris(pentafluoroethyl)borate anion, [FB(C2F 5)3]-, under ambient conditions in aqueous (48%) hydrofluoric acid containing the oxidant K2[MnF6]. Powder-XRD data indicate that products are pure stage 2 and physical mixture of stage 2 and stage 3 after 1 h to 20 h reaction times. The calculated basal repeat distance, Ic, is 1.20 nm for stage 2 and 1.54-1.56 nm for stage 3 GICs, corresponding to gallery heights of di = 0.86-0.89 nm. In addition, stage 2 GIC of C x[FB(C2F5)3]·deltaCH 3NO2 having di = 0.84 nm is prepared by electrochemical oxidation of graphite in a nitromethane electrolyte. The elemental analyses of these complex GICs required that a new sample digestion protocol be developed. After digestion, the fluoride amounts in these GIC samples were analyzed by using ion-selective fluoride combination electrode. The method developed is able to provide fluoride anion content in GICs without interference from the decomposition products of [FB(C 2F5)3]- anion. For the boron analyses the same digestion procedure above is used and the B contents were determined by ICP-AES. For Cx[FB(C2F 5)3]·deltaF, both compositional parameters x and delta are obtained from the results of elemental B and F analyses. For the chemically prepared GICs at 1 h to 20 h, calculated x values were in the range of 51-56 and the calculated delta values increased with reaction time from approx. 0-2. Combining B analysis and TGA mass loss gives a composition of x = 44 and delta = 0.37 for the electrochemically prepared GIC of Cx[FB(C2

  12. Synthesis of new oligothiophene derivatives and their intercalation compounds: Orientation effects

    USGS Publications Warehouse

    Ibrahim, M.A.; Lee, B.-G.; Park, N.-G.; Pugh, J.R.; Eberl, D.D.; Frank, A.J.

    1999-01-01

    The orientation dependence of intercalated oligothiophene derivatives in vermiculite and metal disulfides MS2 (M = Mo, Ti and Zr) on the pendant group on the thiophene ring and the host material was studied by X-ray diffraction (XRD) and solid state nuclear magnetic resonance spectroscopy. Amino and nitro derivatives of bi-, ter- and quarter-thiophenes were synthesized for the first time. The amino-oligothiophenes were intercalated into vermiculite by an exchange reaction with previously intercalated octadecylammonium vermiculite and into MS2 by the intercalation-exfoliation technique. Analysis of the XRD data indicates that a monolayer of amino-oligothiophene orients perpendicularly to the silicate surface in vermiculite and lies flat in the van der Waals gap of MS2.

  13. Acrylate intercalation and in situ polymerization in iron-, cobalt-, or manganese-substituted nickel hydroxides.

    PubMed

    Vaysse, C; Guerlou-Demourgues, L; Duguet, E; Delmas, C

    2003-07-28

    A chimie douce route based on successive redox and exchange reactions has allowed us to prepare new hybrid organic-inorganic materials, composed of polyacrylate macromolecules intercalated into layered double hydroxides (LDHs), deriving from Ni(OH)(2). Monomer intercalation and in situ polymerization mechanisms have appeared to be strongly dependent upon the nature of the substituting cation in the slabs. In the case of iron-based LDHs, a phase containing acrylate monomeric intercalates has been isolated and identified by X-ray diffraction and infrared spectroscopy. Second, interslab free-radical polymerization of acrylate anions has been successfully initiated using potassium persulfate. In cobalt- or manganese-based LDHs, one-step polymerization has been observed, leading directly to a material containing polyacrylate intercalate. PMID:12870945

  14. Optimization of the Thermoelectric Figure of Merit in Crystalline C60 with Intercalation Chemistry.

    PubMed

    Kim, Jeong Yun; Grossman, Jeffrey C

    2016-07-13

    Crystalline C60 is an appealing candidate material for thermoelectric (TE) applications due to its extremely low thermal conductivity and potentially high electrical conductivity with metal atom intercalation. We investigate the TE properties of crystalline C60 intercalated with alkali and alkaline earth metals using both classical and quantum mechanical calculations. For the electronic structure, our results show that variation of intercalated metal atoms has a large impact on energy dispersions, which leads to broad tunability of the power factor. For the thermal transport, we show that dopants introduce strong phonon scattering into crystalline C60, leading to considerably lower thermal conductivity. Taking both into account, our calculations suggest that appropriate choice of metal atom intercalation in crystalline C60 could yield figures of merit near 1 at room temperature.

  15. Optimization of the Thermoelectric Figure of Merit in Crystalline C60 with Intercalation Chemistry.

    PubMed

    Kim, Jeong Yun; Grossman, Jeffrey C

    2016-07-13

    Crystalline C60 is an appealing candidate material for thermoelectric (TE) applications due to its extremely low thermal conductivity and potentially high electrical conductivity with metal atom intercalation. We investigate the TE properties of crystalline C60 intercalated with alkali and alkaline earth metals using both classical and quantum mechanical calculations. For the electronic structure, our results show that variation of intercalated metal atoms has a large impact on energy dispersions, which leads to broad tunability of the power factor. For the thermal transport, we show that dopants introduce strong phonon scattering into crystalline C60, leading to considerably lower thermal conductivity. Taking both into account, our calculations suggest that appropriate choice of metal atom intercalation in crystalline C60 could yield figures of merit near 1 at room temperature. PMID:27322341

  16. The Benzyl Moiety in a Quinoxaline-Based Scaffold Acts as a DNA Intercalation Switch.

    PubMed

    Mahata, Tridib; Kanungo, Ajay; Ganguly, Sudakshina; Modugula, Eswar Kalyan; Choudhury, Susobhan; Pal, Samir Kumar; Basu, Gautam; Dutta, Sanjay

    2016-06-27

    Quinoxaline antibiotics intercalate dsDNA and exhibit antitumor properties. However, they are difficult to synthesize and their structural complexity impedes a clear mechanistic understanding of DNA binding. Therefore design and synthesis of minimal-intercalators, using only part of the antibiotic scaffold so as to retain the key DNA-binding property, is extremely important. Reported is a unique example of a monomeric quinoxaline derivative of a 6-nitroquinoxaline-2,3-diamine scaffold which binds dsDNA by two different modes. While benzyl derivatives bound DNA in a sequential fashion, with intercalation as the second event, nonbenzyl derivatives showed only the first binding event. The benzyl intercalation switch provides important insights about molecular architecture which control specific DNA binding modes and would be useful in designing functionally important monomeric quinoxaline DNA binders and benchmarking molecular simulations.

  17. Intercalating dyes for enhanced contrast in second-harmonic generation imaging of protein crystals.

    PubMed

    Newman, Justin A; Scarborough, Nicole M; Pogranichniy, Nicholas R; Shrestha, Rashmi K; Closser, Richard G; Das, Chittaranjan; Simpson, Garth J

    2015-07-01

    The second-harmonic generation (SHG) activity of protein crystals was found to be enhanced by up to ∼1000-fold by the intercalation of SHG phores within the crystal lattice. Unlike the intercalation of fluorophores, the SHG phores produced no significant background SHG from solvated dye or from dye intercalated into amorphous aggregates. The polarization-dependent SHG is consistent with the chromophores adopting the symmetry of the crystal lattice. In addition, the degree of enhancement for different symmetries of dyes is consistent with theoretical predictions based on the molecular nonlinear optical response. Kinetics studies indicate that intercalation arises over a timeframe of several minutes in lysozyme, with detectable enhancements within seconds. These results provide a potential means to increase the overall diversity of protein crystals and crystal sizes amenable to characterization by SHG microscopy. PMID:26143918

  18. A micrographic and gravimetric study of intercalation and deintercalation of graphite fibers

    NASA Technical Reports Server (NTRS)

    Hung, C. C.

    1985-01-01

    Intercalation and deintercalation of Union Carbide P-100 graphite fibers with liquid and vaporous bromine was studied gravimetrically and microscopically. The mass of the bromine intercalated fibers was found to be 17 to 20 percent greater than their pristine counterpart. This variation decreased to 17 to 18 percent after heating in air for 3 days at 200 C and to 14.5 to 18 percent after 6 days of 260 C heating. The fiber length did not change throughout the experiment. The fiber diameter increased during intercalation and decreased slightly upon deintercalation but was not affected by heating to 260 C for 3 days in air. Comparing the mass and volume data to those with highly oriented pyrolitic graphite or natural single crystal graphite suggested the possibility that the intercalated P-100 fibers could be mostly stage 4.

  19. Reversible chemochromic MoO3 nanoribbons through zerovalent metal intercalation.

    PubMed

    Wang, Mengjing; Koski, Kristie J

    2015-03-24

    Molybdenum trioxide (α-MoO3) is a 2D layered oxide with use in electrochromic and photochromic devices owing to its ability to reversibly change color between transparent and light blue with electrochemical or hydrogen intercalation. Despite its significant application potential, MoO3 performance is largely limited by the destructiveness of these intercalation techniques, insignificant coloration, and slow color response. We demonstrate a reversible chemochromic method, using intercalation of zerovalent metals into α-MoO3 nanoribbons (Sn, ∼2 at. %; Co, ∼4 at. %), to chemically alter MoO3 from transparent white to a deep blue indigo, resulting in enhanced coloration and chemically tunable optical properties. We present two strategies to reversibly tune the color response of MoO3 nanoribbons. Chromism can be reversed (i) by complete oxidative deintercalation with hydrogen peroxide or iodine or (ii) through a temperature-driven disorder-order phase transition of the intercalated zerovalent metal. PMID:25734624

  20. Fabrication of a single layer graphene by copper intercalation on a SiC(0001) surface

    SciTech Connect

    Yagyu, Kazuma; Tochihara, Hiroshi; Tomokage, Hajime; Suzuki, Takayuki; Tajiri, Takayuki; Kohno, Atsushi; Takahashi, Kazutoshi

    2014-02-03

    Cu atoms deposited on a zero layer graphene grown on a SiC(0001) substrate, intercalate between the zero layer graphene and the SiC substrate after the thermal annealing above 600 °C, forming a Cu-intercalated single layer graphene. On the Cu-intercalated single layer graphene, a graphene lattice with superstructure due to moiré pattern is observed by scanning tunneling microscopy, and specific linear dispersion at the K{sup ¯} point as well as a characteristic peak in a C{sub 1s} core level spectrum, which is originated from a free-standing graphene, is confirmed by photoemission spectroscopy. The Cu-intercalated single layer graphene is found to be n-doped.

  1. Oxygen intercalation under graphene on Ir(111): energetics, kinetics, and the role of graphene edges.

    PubMed

    Grånäs, Elin; Knudsen, Jan; Schröder, Ulrike A; Gerber, Timm; Busse, Carsten; Arman, Mohammad A; Schulte, Karina; Andersen, Jesper N; Michely, Thomas

    2012-11-27

    Using X-ray photoemission spectroscopy (XPS) and scanning tunneling microscopy (STM) we resolve the temperature-, time-, and flake size-dependent intercalation phases of oxygen underneath graphene on Ir(111) formed upon exposure to molecular oxygen. Through the applied pressure of molecular oxygen the atomic oxygen created on the bare Ir terraces is driven underneath graphene flakes. The importance of substrate steps and of the unbinding of graphene flake edges from the substrate for the intercalation is identified. With the use of CO titration to selectively remove oxygen from the bare Ir terraces the energetics of intercalation is uncovered. Cluster decoration techniques are used as an efficient tool to visualize intercalation processes in real space.

  2. Intercalating dyes for enhanced contrast in second-harmonic generation imaging of protein crystals

    PubMed Central

    Newman, Justin A.; Scarborough, Nicole M.; Pogranichniy, Nicholas R.; Shrestha, Rashmi K.; Closser, Richard G.; Das, Chittaranjan; Simpson, Garth J.

    2015-01-01

    The second-harmonic generation (SHG) activity of protein crystals was found to be enhanced by up to ∼1000-fold by the intercalation of SHG phores within the crystal lattice. Unlike the intercalation of fluorophores, the SHG phores produced no significant background SHG from solvated dye or from dye intercalated into amorphous aggregates. The polarization-dependent SHG is consistent with the chromophores adopting the symmetry of the crystal lattice. In addition, the degree of enhancement for different symmetries of dyes is consistent with theoretical predictions based on the molecular nonlinear optical response. Kinetics studies indicate that intercalation arises over a timeframe of several minutes in lysozyme, with detectable enhancements within seconds. These results provide a potential means to increase the overall diversity of protein crystals and crystal sizes amenable to characterization by SHG microscopy. PMID:26143918

  3. STS-92 Discovery Launch

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Viewed from across the waters of Banana Creek, clouds of smoke and steam are illuminated by the flames from Space Shuttle Discovery'''s perfect on-time launch at 7:17 p.m. EDT. Discovery carries a crew of seven on a construction flight to the International Space Station. Discovery also carries a payload that includes the Integrated Truss Structure Z-1, first of 10 trusses that will form the backbone of the Space Station, and the third Pressurized Mating Adapter that will provide a Shuttle docking port for solar array installation on the sixth Station flight and Lab installation on the seventh Station flight. Discovery'''s landing is expected Oct. 22 at 2:10 p.m. EDT.

  4. Electrochemical potential of intercalation phase: Li/V 2O 5 system

    NASA Astrophysics Data System (ADS)

    Wu, Qi-Hui

    2006-12-01

    In the communication, the use of photoelectron spectroscopy in evaluating the electrochemical potentials for intercalation phase (Li/V 2O 5 system) is presented. Two contributions, i.e. Fermi level shift and formation of surface dipole, are the main factors in the change of battery voltage during the Li intercalation. It was found that the formation of surface dipole plays more important role in the decrease of the battery voltage due to the adsorption of Li on the surface.

  5. Small-angle x-ray scattering of intercalation compounds of graphite, fluorographite, and graphite oxide

    SciTech Connect

    Perevozkin, V.Yu.; Yur'ev, G.S.; Nazarov, A.S.; Danilenko, A.M.; Lisitsa, V.V.; Makotchenko, V.G.; Paasonen, V.M.; Yakovlev, I.I.

    1988-05-01

    Graphite intercalation compounds are interesting as cathode materials in chemical current sources and catalysts and are good conductors of electricity. Small-angle x-ray scattering was studied on natural graphite, intercalation compounds of fluorinated graphite, graphite oxide, and the products of reduction of the compounds. It was shown that scattering takes place in regions with a lower density and the size of the density inhomogeneities was determined.

  6. Direct observation of Dirac cone in multilayer silicene intercalation compound CaSi2.

    PubMed

    Noguchi, Eiichi; Sugawara, Katsuaki; Yaokawa, Ritsuko; Hitosugi, Taro; Nakano, Hideyuki; Takahashi, Takashi

    2015-02-01

    Calcium-intercalated multilayer silicene CaSi2 exhibits a massless Dirac-cone π-electron-band dispersion like graphene, while the Dirac point is about 2 eV away from the Fermi level due to diiimide-based charge transfer from the Ca atoms to the silicene layers. This indicates that the graphene-like electronic structure with a massless Dirac cone is stably formed in the metal-intercalated multilayer silicene.

  7. Antibiotic drug discovery.

    PubMed

    Wohlleben, Wolfgang; Mast, Yvonne; Stegmann, Evi; Ziemert, Nadine

    2016-09-01

    Due to the threat posed by the increase of highly resistant pathogenic bacteria, there is an urgent need for new antibiotics; all the more so since in the last 20 years, the approval for new antibacterial agents had decreased. The field of natural product discovery has undergone a tremendous development over the past few years. This has been the consequence of several new and revolutionizing drug discovery and development techniques, which is initiating a 'New Age of Antibiotic Discovery'. In this review, we concentrate on the most significant discovery approaches during the last and present years and comment on the challenges facing the community in the coming years. PMID:27470984

  8. Intercalation of acrylic acid and sodium acrylate into kaolinite and their in situ polymerization

    NASA Astrophysics Data System (ADS)

    Zhang, Bo; Li, Yanfeng; Pan, Xiaobing; Jia, Xin; Wang, Xiaolong

    2007-02-01

    Novel nano-composites of poly (acrylic acid)-kaolinite were prepared, and intercalation and in situ polymerization were used in this process. The nano-composites were obtained by in situ polymerization of acrylic acid (AA) and sodium acrylate (AANa) intercalated into organo-kaolinite, which was obtained by refining and chemically modifying with solution intercalation step in order to increase the basal plane distance of the original clay. The modification was completed by using dimethyl-sulfoxide (DMSO)/methanol and potassium acetate (KAc)/water systems step by step. The materials were characterized with the help of XRD, FT-IR and TEM; the results confirmed that poly(acrylic acid) (PAA) and poly(sodium acrylate) (PAANa) were intercalated into the interlamellar spaces of kaolinite, the resulting copolymer composites (CC0 : copolymer crude kaolinite composite, CC1 : copolymer DMSO kaolinite composite, CC2 : copolymer KAc kaolinite composite) of CC2 exhibited a lamellar nano-composite with a mixed nano-morphology, and partial exfoliation of the intercalating clay platelets should be the main morphology. Finally, the effect of neutralization degree on the intercalation behavior was also investigated.

  9. In situ AFM study of interlayer spacing during anion intercalation into HOPG in aqueous electrolyte

    SciTech Connect

    Alliata, D.; Koetz, R.; Haas, O.; Siegenthaler, H.

    1999-11-23

    In the context of ion transfer batteries, highly oriented pyrolytic graphite (HOPG) was studied as a model in aqueous electrolytes to elucidate the mechanism of electrochemical intercalation into graphite. The local time-dependent dimensional changes of the host material occurring during the electrochemical intercalation processes were investigated on the nanometer scale. Atomic force microscopy (AFM), combined with cyclic voltammetry, was used as an in situ analytical tool during the intercalation of perchlorate and hydrogen sulfate ions into and their expulsion from the HOPG electrodes. For the first time, a reproducible, quantitative estimate of the interlayer spacing in HOPG with intercalated perchlorate and hydrogen sulfate ions could be obtained by in situ AFM measurements. The experimental values are in agreement with theoretical expectations, only for relatively low stacks of graphene layers. After formation of stage IV, HOPG expansion upon intercalation typically amounts to 32% when tens of layers are involved but to only 14% when thousands of layers are involved. Blister formation and more dramatic changes in morphology were observed, depending on the kind of electrolyte used, at higher levels of anion intercalation.

  10. Intercalation and Distribution of Silver in the Transition Metal Dichalcogenide 1T-TITANIUM-DISULFIDE.

    NASA Astrophysics Data System (ADS)

    Kaluarachchi, Dayakanthi

    The intercalation and motion of silver (Ag) in partially intercalated titanium disulphide (TiS _{rm 2}) crystals were studied using a scanning Auger electron microscope with ion sputtering, a scanning electron microscope with an x-ray fluorescence attachment, an optical microscope and radioactive tracers. The x-ray fluorescence results indicated a rapid conversion of stage 1 Ag into stage 2 Ag at room temperature and a stationary behavior of the stage 2 Ag after the stage conversion was completed. The radioactive tracer results showed that stage 2 Ag was mobile during the stage 1 to stage 2 conversion and also when a crystal was being intercalated. The motion of stage 2 Ag in the bulk of a crystal was observed only when stage 1 was present in the crystal. Auger analysis with ion sputtering yielded the 3-dimensional distribution of Ag in a partially intercalated stage 2 crystal. Ag was observed to be intercalated across the crystal surface region while the bulk was intercalated only for a short distance, indicating that the Ag has a high rate of motion near the crystal surface. A stage 2 region with a high Ag concentration was observed to be unstable near the crystal surface.

  11. Optical properties of NbCl5 and ZnMg intercalated graphite compounds

    NASA Astrophysics Data System (ADS)

    Jung, Eilho; Lee, Seokbae; Roh, Seulki; Meng, Xiuqing; Tongay, Sefaattin; Kang, Jihoon; Park, Tuson; Hwang, Jungseek

    2014-12-01

    We studied NbCl5 and ZnMg alloy intercalated graphite compounds using an optical spectroscopy technique. These intercalated metallic graphite samples were quite challenging to obtain optical reflectance spectra since they were not flat and quite thin. By using both a new method and an in situ gold evaporation technique we were able to obtain reliable reflectance spectra of our samples in the far and mid infrared range (80-7000 cm-1). We extracted the optical constants including the optical conductivity and the dielectric function from the measured reflectance spectra using a Kramers-Kronig analysis. We also extracted the dc conductivity and the plasma frequencies from the optical conductivity and dielectric functions. NbCl5 intercalated graphite samples show similar optical conductivity spectra as bare highly oriented pyrolytic graphite even though there are some differences in detail. ZnMg intercalated samples show significantly different optical conductivity spectra from the bare graphite. Optical spectroscopy is one of the most reliable experimental techniques to obtain the electronic band structures of materials. The obtained optical conductivities support the recent theoretically calculated electronic band structures of NbCl5 and ZnMg intercalated graphite compounds. Our results also provide important information of electronic structures and charge carrier properties of these two new intercalated materials for applications.

  12. In Situ Intercalation Dynamics in Inorganic–Organic Layered Perovskite Thin Films

    PubMed Central

    2014-01-01

    The properties of layered inorganic semiconductors can be manipulated by the insertion of foreign molecular species via a process known as intercalation. In the present study, we investigate the phenomenon of organic moiety (R-NH3I) intercalation in layered metal-halide (PbI2)-based inorganic semiconductors, leading to the formation of inorganic–organic (IO) perovskites [(R-NH3)2PbI4]. During this intercalation strong resonant exciton optical transitions are created, enabling study of the dynamics of this process. Simultaneous in situ photoluminescence (PL) and transmission measurements are used to track the structural and exciton evolution. On the basis of the experimental observations, a model is proposed which explains the process of IO perovskite formation during intercalation of the organic moiety through the inorganic semiconductor layers. The interplay between precursor film thickness and organic solution concentration/solvent highlights the role of van der Waals interactions between the layers, as well as the need for maintaining stoichiometry during intercalation. Nucleation and growth occurring during intercalation matches a Johnson–Mehl–Avrami–Kolmogorov model, with results fitting both ideal and nonideal cases. PMID:24905435

  13. Synthesis of (cinnamate-zinc layered hydroxide) intercalation compound for sunscreen application

    PubMed Central

    2013-01-01

    Background Zinc layered hydroxide (ZLH) intercalated with cinnamate, an anionic form of cinnamic acid (CA), an efficient UVA and UVB absorber, have been synthesized by direct method using zinc oxide (ZnO) and cinnamic acid as the precursor. Results The resulting obtained intercalation compound, ZCA, showed a basal spacing of 23.9 Å as a result of cinnamate intercalated in a bilayer arrangement between the interlayer spaces of ZLH with estimated percentage loading of cinnamate of about 40.4 % w/w. The UV–vis absorption spectrum of the intercalation compound showed excellent UVA and UVB absorption ability. Retention of cinnamate in ZLH interlayers was tested against media usually came across with sunscreen usage to show low release over an extended period of time. MTT assay of the intercalation compound on human dermal fibroblast (HDF) cells showed cytotoxicity of ZCA to be concentration dependent and is overall less toxic than its precursor, ZnO. Conclusions (Cinnamate-zinc layered hydroxide) intercalation compound is suitable to be used as a safe and effective sunscreen with long UV protection effect. PMID:23383738

  14. Intercalation of amino acids and peptides into Mg-Al layered double hydroxide by reconstruction method.

    PubMed

    Nakayama, Hirokazu; Wada, Natsuko; Tsuhako, Mitsutomo

    2004-01-28

    The intercalation of amino acids and some peptides into Mg-Al layered double hydroxide known as hydrotalcite was examined. Although the intercalation by ion-exchange method was unsuccessful, all the amino acids except for Lys and Arg, and peptides examined could be intercalated into the layered double hydroxide by reconstruction method using Mg-Al oxide precursor. The uptake amounts of amino acids and peptides were 0.9-2.7 mmol per 1 g of LDH. Intercalation compounds were examined by using XRD and solid-state NMR. For Gly, Ala, Ser, Thr, Pro, Asn, Gln, Asp, Glu, and aspartame the intercalation accompanied the expansion of interlayer distance of the solid products, whereas the other amino acids and oligoglycine showed no expansion. The intercalation mechanism and release profile in K(2)CO(3) aqueous solution were also investigated. And the cointercalation of amino acids and peptides into Mg-Al LDH and easy release of amino acids from the LDH layer were found.

  15. Sugar-anionic clay composite materials: intercalation of pentoses in layered double hydroxide

    NASA Astrophysics Data System (ADS)

    Aisawa, Sumio; Hirahara, Hidetoshi; Ishiyama, Kayoko; Ogasawara, Wataru; Umetsu, Yoshio; Narita, Eiichi

    2003-09-01

    The intercalation of non-ionized guest pentoses (ribose and 2-deoxyribose) into the Mg-Al and Zn-Al layered double hydroxides (LDHs) was carried out at 298 K by the calcination-rehydration reaction using the Mg-Al and Zn-Al oxide precursors calcined at 773 K. The resulting solid products reconstructed the LDH structure with incorporating pentoses, and the maximum amount of ribose intercalated by the Mg-Al oxide precursor was approximately 20 times that by the Zn-Al oxide precursor. The ribose/Mg-Al LDH was observed to have the expanded LDH structure with a broad (003) spacing of 0.85 nm. As the thickness of the LDH hydroxide basal layer is 0.48 nm, the interlayer distance of the ribose/Mg-Al LDH is 0.37 nm. This value corresponds to molecular size of ribose in thickness (0.36 nm), supporting that ribose is horizontally oriented in the interlayer space of LDH. The maximum amount of ribose intercalated by the Mg-Al oxide precursor was approximately 5 times that of 2-deoxyribose. Ribose is substituted only by the hydroxyl group at C-2 position for 2-deoxyribose. Therefore, the number of hydroxyl group of sugar is essentially important for the intercalation of sugar molecule into the LDH, suggesting that the intercalation behavior of sugar for the LDH was greatly influenced by hydrogen bond between hydroxyl group of the intercalated pentose and the LDH hydroxide basal layers.

  16. Discovery and Classification in Astronomy

    NASA Astrophysics Data System (ADS)

    Dick, Steven J.

    2013-10-01

    Preface; Abbreviations; Introduction: the natural history of the heavens and the natural history of discovery; Part I. Entrée: 1. The Pluto affair; Part II. Narratives of Discovery: 2. Moons, rings, and asteroids: discovery in the realm of the planets; 3. In Herschel's gardens: nebulous discoveries in the realm of the stars; 4. Dwarfs, giants, and planets (again!): the discovery of the stars themselves; 5. Galaxies, quasars, and clusters: discovery in the realm of the galaxies; Part III. Patterns of Discovery: 6. The structure of discovery; 7. The varieties of discovery; 8. Discovery and classification; Part IV. Drivers of Discovery: 9. Technology and theory as drivers of discovery; Part V. The Synthesis of Discovery: 10. Luxuriant gardens and the master narrative; 11. The meaning of discovery; Appendix I; Appendix II.

  17. Room-Temperature Fluorine-Induced Decrease in the Stability of Bromine and Iodine Intercalated Carbon Fibers

    NASA Technical Reports Server (NTRS)

    Hung, Ching-Cheh

    1995-01-01

    Upon exposure to room-temperature fluorine, intercalated carbon fibers (containing either bromine alone or iodine and bromine together) become heavier and less stable. For Amoco P-100 graphitized carbon fibers, which were intercalated with 18 wt percent bromine, 1 hour of fluorine exposure resulted in a large weight increase but caused only a small decrease in thermal stability. An additional 89 hours of fluorine exposure time resulted in small additional increases in fiber weight, but significant further decreases in fiber thermal stability. Such phenomena of weight increase and stability decrease do not occur if the intercalated fibers are exposed to 250 C fluorine. These observations suggest that, at room temperature, fluorine is absorbed quickly by the intercalated fibers and is intercalated slowly into the fibers. Most of the original intercalates are replaced by fluorine in the process of fluorine intercalation. In an inert environment, the bromine intercalated fibers are much more thermally stable. After 800 C vacuum heating for 2 weeks, the brominated fibers lost about 45% of their bromine, and their resistivity increased from 64 mu(Omega)-cm to a range of 95-170 mu(Omega)-cm. This is still much lower than the value of 300 mu(Omega)-cm for pristine P-100. For practical purposes, to preserve their thermal stability, brominated fibers need to be protected from exposure to fluorine at room temperature or to any intercalate at a temperature where, upon direct contact with graphite, an intercalation compound can easily be formed.

  18. Xin proteins and intercalated disc maturation, signaling and diseases

    PubMed Central

    Wang, Qinchuan; Lin, Jenny Li-Chun; Wu, Kuo-Ho; Wang, Da-Zhi; Reiter, Rebecca S.; Sinn, Haley W.; Lin, Cheng-I; Lin, Jim Jung-Ching

    2012-01-01

    Intercalated discs (ICDs) are cardiac-specific structures responsible for mechanical and electrical communication among adjacent cardiomyocytes and are implicated in signal transduction. The striated muscle-specific Xin repeat-containing proteins localize to ICDs and play critical roles in ICD formation and cardiac function. Knocking down the Xin gene in chicken embryos collapses the wall of developing heart chambers and leads to abnormal cardiac morphogenesis. In mammals, a pair of paralogous genes, Xinalpha and Xinbeta exist. Ablation of the mouse Xinalpha (mXinalpha) does not affect heart development. Instead, mXinalpha-deficient mice show adult late-onset cardiac hypertrophy and cardiomyopathy with conduction defects. The mXinalpha-deficient hearts up-regulate mouse Xinbeta (mXinbeta), suggesting a partial compensatory role of mXinbeta. Complete loss of mXinbeta, however, leads to failure of forming ICD, mis-localization of mXinalpha, and early postnatal lethality. In this review, we will briefly discuss recent advances in the anatomy and function of ICDs. We will then review what we know about Xin repeat-containing proteins and how this protein family promotes ICD maturation and stability for normal cardiac function. PMID:22652799

  19. Two different ground states in K-intercalated polyacenes

    NASA Astrophysics Data System (ADS)

    Phan, Quynh T. N.; Heguri, Satoshi; Tamura, Hiroyuki; Nakano, Takehito; Nozue, Yasuo; Tanigaki, Katsumi

    2016-02-01

    The electronic states of potassium- (K-) intercalated zigzag-type polycyclic aromatic (PLA) hydrocarbon [polyacene PLAs] Kx(PLAs ) are studied for a series of the four smallest molecules: naphthalene (NN), anthracene (AN), tetracene (TN), and pentacene (PN), focusing on their 1:1 stoichiometric phases. Clear experimental differences are identified between the first group [K1(NN ) and K1(AN ) ] and the second group [K1(TN ) and K1(PN ) ] by magnetic, vibrational, and optical measurements. The first group is categorized as a Mott insulator with an antiferromagnetic ground state with energy of ˜10 meV, whereas the second group is classified as a band insulator via dimer formation due to the spin Peierls instability. In the latter system, the first thermally accessible triplet states are located far apart from the singlet ground states and are not detected by electron spin-resonance spectroscopy until 300 K being very different from what is observed for the hole-doped PN reported earlier. The results give a new systematic understanding on the electronic states of electron-doped PLAs sensitive to the energetic balance among on-site Coulomb repulsion, bandwidth, and the Peierls instability.

  20. First-principles study of Se-intercalated graphite

    SciTech Connect

    BARTKOWIAK,M.; MODINE,NORMAND A.; SOFO,J.O.; MAHAN,G.D.

    2000-05-11

    Se-intercalated graphite compounds (Se-GICs) are considered as promising candidates for room-temperature thermoelectric cooling devices. Here the authors analyze the crystallographic structure and electronic properties of these materials within the framework of density-functional theory. First, the Adaptive-Coordinate Real-space Electronic Structure (ACRES) code is used to determine the stable structure of a representative stage-2 Se-GIC by relaxing atomic positions. The stable configuration is found to be a pendant-type structure, in which each selenium is bonded covalently to two atoms within the same carbon layer, causing a local distortion of the in-plane conjugation of the graphite. Then, they use the full potential linearized augmented plane wave (FP-LAPW) method to calculate the electronic band structure of the material and discuss its properties. Near the Fermi energy E{sub F}, there are wide bands originating from the host graphitic electronic structure and a few very narrow bands mainly of Se 4p character. The latter bands contribute to high peaks in the density of states close to E{sub F}. They show that this feature, although typical of many good thermoelectrics, does not necessarily imply high thermopower in the case of Se-GICs.

  1. The molecular transport and intercalation of guest molecules into hydrogen-bonded metal-organic frameworks (HMOFs)

    NASA Astrophysics Data System (ADS)

    Hogan, Greg Anthony

    The process of molecular transport and intercalation has been widely studied for many years, resulting in the discovery of molecular frameworks that are capable of hosting guest molecules or ions. Layered and porous metal-organic frameworks (MOFs) have been found to have applications in the field of catalysis, storage, separations, and ion-exchange. More recently, molecular components with peripheral hydrogen-bonding moieties have been used to affect the synthesis of hydrogen-bonded metal-organic frameworks (HMOFs) as an alternative to MOFs, which are interconnected via coordinate-covalent bonds. While MOFs are perhaps stronger materials, HMOFs have the advantage of being easily modifiable and more flexible. Because HMOFs have not been extensively studied for their ability to host molecules, and because their ability to withstand guest loss and guest exchange is essentially unknown, here we report the synthesis and molecular transport properties of both close-packed and porous HMOFs. Layered materials can mimic the behavior of naturally occurring clays, where guest molecules are absorbed and the layer will expand to accommodate the entering guest molecule. We have created a clay mimic composed of a metal pyridine-dicarboxylates and ammonium counterions (a layered HMOF), which is suitable for studying the ability of such materials to absorb guest molecules. We can control the distance of the interlayer region, as well as the chemical nature (hydrophobic or hydrophilic) by varying the organic amine. The metal complex contains axial water ligands that are replaceable, and such ligand exchange has precedence in coordination polymer (MOF) systems, and has been termed "coordinative intercalation". Using the synthesized layered material we examined the process of intercalation, having chosen a variety of guest molecules ranging from alkyl to aryl molecules, each of which have substituents varying in size, shape and electronics. The first set of guest molecules are non

  2. Decades of Discovery

    DOE R&D Accomplishments Database

    2011-06-01

    For the past two-and-a-half decades, the Office of Science at the U.S. Department of Energy has been at the forefront of scientific discovery. Over 100 important discoveries supported by the Office of Science are represented in this document.

  3. Serendipity and Scientific Discovery.

    ERIC Educational Resources Information Center

    Rosenman, Martin F.

    1988-01-01

    The discovery of penicillin is cited in a discussion of the role of serendipity as it relates to scientific discovery. The importance of sagacity as a personality trait is noted. Successful researchers have questioning minds, are willing to view data from several perspectives, and recognize and appreciate the unexpected. (JW)

  4. Friends' Discovery Camp

    ERIC Educational Resources Information Center

    Seymour, Seth

    2008-01-01

    This article features Friends' Discovery Camp, a program that allows children with and without autism spectrum disorder to learn and play together. In Friends' Discovery Camp, campers take part in sensory-rich experiences, ranging from hands-on activities and performing arts to science experiments and stories teaching social skills. Now in its 7th…

  5. "Eureka, Eureka!" Discoveries in Science

    ERIC Educational Resources Information Center

    Agarwal, Pankaj

    2011-01-01

    Accidental discoveries have been of significant value in the progress of science. Although accidental discoveries are more common in pharmacology and chemistry, other branches of science have also benefited from such discoveries. While most discoveries are the result of persistent research, famous accidental discoveries provide a fascinating…

  6. Large intercalated neurons of amygdala relay noxious sensory information.

    PubMed

    Bienvenu, Thomas C M; Busti, Daniela; Micklem, Benjamin R; Mansouri, Mahnaz; Magill, Peter J; Ferraguti, Francesco; Capogna, Marco

    2015-02-01

    Various GABAergic neuron types of the amygdala cooperate to control principal cell firing during fear-related and other behaviors, and understanding their specialized roles is important. Among GABAergic neurons, the so-called intercalated cells (ITCcs) are critically involved in the expression and extinction of fear memory. Tightly clustered small-sized spiny neurons constitute the majority of ITCcs, but they are surrounded by sparse, larger neurons (L-ITCcs) for which very little information is known. We report here a detailed neurochemical, structural and physiological characterization of rat L-ITCcs, as identified with juxtacellular recording/labeling in vivo. We supplement these data with anatomical and neurochemical analyses of nonrecorded L-ITCcs. We demonstrate that L-ITCcs are GABAergic, and strongly express metabotropic glutamate receptor 1α and GABAA receptor α1 subunit, together with moderate levels of parvalbumin. Furthermore, L-ITCcs are innervated by fibers enriched with metabotropic glutamate receptors 7a and/or 8a. In contrast to small-sized spiny ITCcs, L-ITCcs possess thick, aspiny dendrites, have highly branched, long-range axonal projections, and innervate interneurons in the basolateral amygdaloid complex. The axons of L-ITCcs also project to distant brain areas, such as the perirhinal, entorhinal, and endopiriform cortices. In vivo recorded L-ITCcs are strongly activated by noxious stimuli, such as hindpaw pinches or electrical footshocks. Consistent with this, we observed synaptic contacts on L-ITCc dendrites from nociceptive intralaminar thalamic nuclei. We propose that, during salient sensory stimulation, L-ITCcs disinhibit local and distant principal neurons, acting as "hub cells," to orchestrate the activity of a distributed network. PMID:25653362

  7. Enhancement of the superconducting transition temperature of FeSe by intercalation of a molecular spacer layer

    NASA Astrophysics Data System (ADS)

    Burrard-Lucas, Matthew; Free, David G.; Sedlmaier, Stefan J.; Wright, Jack D.; Cassidy, Simon J.; Hara, Yoshiaki; Corkett, Alex J.; Lancaster, Tom; Baker, Peter J.; Blundell, Stephen J.; Clarke, Simon J.

    2013-01-01

    The discovery of high-temperature superconductivity in a layered iron arsenide has led to an intensive search to optimize the superconducting properties of iron-based superconductors by changing the chemical composition of the spacer layer between adjacent anionic iron arsenide layers. Superconductivity has been found in iron arsenides with cationic spacer layers consisting of metal ions (for example, Li+, Na+, K+, Ba2+) or PbO- or perovskite-type oxide layers, and also in Fe1.01Se (ref. ) with neutral layers similar in structure to those found in the iron arsenides and no spacer layer. Here we demonstrate the synthesis of Lix(NH2)y(NH3)1-yFe2Se2 (x~0.6 y~0.2), with lithium ions, lithium amide and ammonia acting as the spacer layer between FeSe layers, which exhibits superconductivity at 43(1) K, higher than in any FeSe-derived compound reported so far. We have determined the crystal structure using neutron powder diffraction and used magnetometry and muon-spin rotation data to determine the superconducting properties. This new synthetic route opens up the possibility of further exploitation of related molecular intercalations in this and other systems to greatly optimize the superconducting properties in this family.

  8. Purposive discovery of operations

    NASA Technical Reports Server (NTRS)

    Sims, Michael H.; Bresina, John L.

    1992-01-01

    The Generate, Prune & Prove (GPP) methodology for discovering definitions of mathematical operators is introduced. GPP is a task within the IL exploration discovery system. We developed GPP for use in the discovery of mathematical operators with a wider class of representations than was possible with the previous methods by Lenat and by Shen. GPP utilizes the purpose for which an operator is created to prune the possible definitions. The relevant search spaces are immense and there exists insufficient information for a complete evaluation of the purpose constraint, so it is necessary to perform a partial evaluation of the purpose (i.e., pruning) constraint. The constraint is first transformed so that it is operational with respect to the partial information, and then it is applied to examples in order to test the generated candidates for an operator's definition. In the GPP process, once a candidate definition survives this empirical prune, it is passed on to a theorem prover for formal verification. We describe the application of this methodology to the (re)discovery of the definition of multiplication for Conway numbers, a discovery which is difficult for human mathematicians. We successfully model this discovery process utilizing information which was reasonably available at the time of Conway's original discovery. As part of this discovery process, we reduce the size of the search space from a computationally intractable size to 3468 elements.

  9. The Greatest Mathematical Discovery?

    SciTech Connect

    Bailey, David H.; Borwein, Jonathan M.

    2010-05-12

    What mathematical discovery more than 1500 years ago: (1) Is one of the greatest, if not the greatest, single discovery in the field of mathematics? (2) Involved three subtle ideas that eluded the greatest minds of antiquity, even geniuses such as Archimedes? (3) Was fiercely resisted in Europe for hundreds of years after its discovery? (4) Even today, in historical treatments of mathematics, is often dismissed with scant mention, or else is ascribed to the wrong source? Answer: Our modern system of positional decimal notation with zero, together with the basic arithmetic computational schemes, which were discovered in India about 500 CE.

  10. Viral surveillance and discovery

    PubMed Central

    Lipkin, Walter Ian; Firth, Cadhla

    2014-01-01

    The field of virus discovery has burgeoned with the advent of high throughput sequencing platforms and bioinformatics programs that enable rapid identification and molecular characterization of known and novel agents, investments in global microbial surveillance that include wildlife and domestic animals as well as humans, and recognition that viruses may be implicated in chronic as well as acute diseases. Here we review methods for viral surveillance and discovery, strategies and pitfalls in linking discoveries to disease, and identify opportunities for improvements in sequencing instrumentation and analysis, the use of social media and medical informatics that will further advance clinical medicine and public health. PMID:23602435

  11. On the effects of intercalators in DNA condensation: a force spectroscopy and gel electrophoresis study.

    PubMed

    Rocha, M S; Cavalcante, A G; Silva, R; Ramos, E B

    2014-05-01

    In this work we have characterized the effects of the intercalator ethidium bromide (EtBr) on the DNA condensation process by using force spectroscopy and gel electrophoresis. We have tested two condensing agents: spermine (spm(4+)), a tetravalent cationic amine which promotes cation-induced DNA condensation, and poly(ethylene glycol) (PEG), a neutral polymer which promotes DNA ψ-condensation. Two different types of experiments were performed. In the first type, bare DNA molecules disperse in solution are first treated with EtBr for intercalation, and then the condensing agent is added to the sample with the purpose of verifying the effects of the intercalator in hindering DNA condensation. In the second experiment type, the bare DNA molecules are first condensed, and then the intercalator is added to the sample in order to verify its influence on the previously condensed DNA. The results obtained with the two different experimental techniques used agree very well, indicating that previously intercalated EtBr can hinder both cation-induced and ψ-condensation, being more efficient in the first case. On the other hand, EtBr has little effect on the previously formed cation-induced condensates, but is efficient in unfolding the ψ-condensates.

  12. Micromechanical properties of intercalated compounds of graphite oxide with dodecahydro- closо-dodecaboric acid

    NASA Astrophysics Data System (ADS)

    Karpenko, A. A.; Saldin, V. I.

    2016-08-01

    The micromechanical properties (Young's modulus, deformation, and adhesion) of the intercalated compound of graphite oxide with dodecahydro- closo-dodecaboric acid were studied by atomic force microscopy, transmission electron microscopy, and Raman spectroscopy and compared with the same characteristics of the starting graphite oxide. The significant difference in the micromechanical properties of the materials under study is dictated by differences in the topography and properties of their film surface, which, in turn, can be determined by their chemical composition. The introduction of dodecahydro- closo-dodecaboric acid in the interplanar space of graphite oxide affects the structuring of the latter. A considerable increase in the adhesion of the intercalated compound relative to that of oxide graphite is explained by high adhesive properties of the introduced acid, the Young's modulus of graphite oxide being higher than that of the intercalated compound. This was attributed to the high hydrophilicity of dodecahydro- closo-dodecaboric acid and the difficulty of water removal from the interplanar space; water plasticizes the material, which becomes softer than graphite oxide. The difference in the structure of the coating of the intercalated compounds and the starting graphite oxide was found to be also reflected by their Raman spectra, namely, by the increased intensity of the D line with the preserved position of the G line, which points to the impurity nature of the intercalate and the unchanged hexagonal lattice of graphite.

  13. Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties

    SciTech Connect

    Osiry, H.; Cano, A.; Lemus-Santana, A.A.; Rodríguez, A.; Carbonio, R.E.; Reguera, E.

    2015-10-15

    This contribution discusses the intercalation of imidazole and its 2-ethyl derivative, and pyridine in 2D copper nitroprusside. In the interlayer region, neighboring molecules remain interacting throu gh their dipole and quadrupole moments, which supports the solid 3D crystal structure. The crystal structure of this series of intercalation compounds was solved and refined from powder X-ray diffraction patterns complemented with spectroscopic information. The intermolecular interactions were studied from the refined crystal structures and low temperature magnetic measurements. Due to strong attractive forces between neighboring molecules, the resulting π–π cloud overlapping enables the ferromagnetic coupling between metal centers on neighboring layers, which was actually observed for the solids containing imidazole and pyridine as intercalated molecules. For these two solids, the magnetic data were properly described with a model of six neighbors. For the solid containing 2-ethylimidazole and for 2D copper nitroprusside, a model of four neighbors in a plane is sufficient to obtain a reliable data fitting. - Highlights: • Intercalation of organic molecules in 2D copper (II) nitroprusside. • Molecular properties of intercalation compounds of 2D copper (II) nitroprusside. • Magnetic properties of hybrid inorganic–organic solids. • Hybrid inorganic–organic 3D framework.

  14. Intercalation-assisted longitudinal unzipping of carbon nanotubes for green and scalable synthesis of graphene nanoribbons

    PubMed Central

    Li, Yan-Sheng; Liao, Jia-Liang; Wang, Shan-Yu; Chiang, Wei-Hung

    2016-01-01

    We have demonstrated an effective intercalation of multi-walled carbon nanotubes (MWCNTs) for the green and scalable synthesis of graphene nanoribbons (GNRs) using an intercalation-assisted longitudinal unzipping of MWCNTs. The key step is to introduce an intercalation treatment of raw MWCNTs with KNO3 and H2SO4, making it promising to decrease the strong van der Waals attractions in the MWCNTs bundles and between the coaxial graphene walls of CNTs. Systematic micro Raman, X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD) characterizations suggest that potassium, nitrate, and sulfate ions play an important role in the CNT intertube and intratube intercalations during the pretreatment. Detailed scanning electron microscopy (SEM), transmission electron microscopy, XRD, and micro Raman characterizations indicate that the developed methodology possesses the ability to synthesis GNRs effectively with an improved CNT concentration in H2SO4 of 10 mg/ml at 70 °C, which is amenable to industrial-scale production because of the decreased amount of strong acid. Our work provides a scientific understanding how to enhance the GNR formation by accelerating the CNT longitudinal unzipping via suitable molecular intercalation. PMID:26948486

  15. Li Intercalation into Graphite: Direct Optical Imaging and Cahn-Hilliard Reaction Dynamics.

    PubMed

    Guo, Yinsheng; Smith, Raymond B; Yu, Zhonghua; Efetov, Dmitri K; Wang, Junpu; Kim, Philip; Bazant, Martin Z; Brus, Louis E

    2016-06-01

    Lithium intercalation into graphite is a critical process in energy storage technology. Studies of Li intercalation kinetics have proved challenging due to structural and phase complexity, and sample heterogeneity. Here we report direct time- and space-resolved, all-optical measurement of Li intercalation. We use a single crystal graphite electrode with lithographically defined disc geometry. All-optical, Raman and reflectance measurements distinguish the intrinsic intercalation process from side reactions, and provide new insight into the microscopic intercalation process. The recently proposed Cahn-Hilliard reaction (CHR) theory quantitatively captures the observed phase front spatial patterns and dynamics, using a two-layer free-energy model with novel, generalized Butler-Volmer kinetics. This approach unites Cahn-Hilliard and electrochemical kinetics, using a thermodynamically consistent description of the Li injection reaction at the crystal edge that involves a cooperative opening of graphene planes. The excellent agreement between experiment and theory presented here, with single-crystal resolution, provides strong support for the CHR theory of solid-state reactions. PMID:27203128

  16. Effects of iodine intercalation into Bi-based copper oxide superconductors

    SciTech Connect

    Fujiwara, Akihiko; Koike, Yoji; Sasaki, Keiichi; Noji, Takashi; Saito, Yoshitami )

    1994-02-01

    We have investigated the stage-1 iodine-intercalation compounds, whose host materials are Bi[sub 2]Sr[sub 2]Ca[sub 1[minus]x]Y[sub x]Cu[sub 2]O[sub 8] (Bi-2212 phase) and Bi[sub 1.6]Pb[sub 0.5]Sr[sub 1.9[minus]x]La[sub x]Cu[sub 1.05]O[sub 6] (Bi-2201 phase) with various x values. In the Bi-2212 phase, it has been found that the change in Tc through the stage-1 iodine intercalation is due to two effects: a change of the two-dimensionality and an increase in the carrier number. The former effect decreases Tc by about 10 K independent of the carrier number of the host sample. The latter effect shifts the x dependence of Tc to larger x values by about 0.08, taking account of oxygen release from the host samples during the intercalation process. This result is clear evidence for the occurrence of both the change of two-dimensionality and the increase in carrier number about 0.04 per CuO[sub 2] unit due to the charge transfer through the stage-1 iodine intercalation. In the Bi-2201 phase, Tc decreases by about 10 K through the stage-1 iodine intercalation. 4 refs., 3 figs.

  17. Quaternary ammonium salts intercalated α-ZrP compounds for adsorption of phenolic compounds

    NASA Astrophysics Data System (ADS)

    Wang, Hongning; Liu, Wenjin; Yao, Wei; Zhang, Ke; Zhong, Jing; Chen, Ruoyu

    2013-03-01

    By using methylamine as the colloidization agent to weaken the interactions of α-ZrP laminate, the quaternary ammonium salts of DTAB, TTAB, CTAB and STAB were successfully intercalated into the methylamine pre-pillared α-ZrP, denoted as DTAB-ZrP, TTAB-ZrP, CTAB-ZrP and STAB-ZrP, respectively. XRD, FTIR, TEM and N2 sorption were used to characterize the intercalated compounds, and the arrangements of intercalated quaternary ammonium salts within ZrP were supposed according to the results. It was shown that the interlayer distances were increased from 0.76 nm to 2.10-3.50 nm and the intercalated quaternary amine salt cationic bonded with Psbnd O- anion through electrostatic interaction. The phenolic compounds adsorption results have demonstrated that all the four intercalated compounds have good adsorption performance, and CTAB-ZrP show the highest maximum adsorption amounts of 0.90, 1.25 and 1.34 mmol g-1, for phenol, 2-chlorophenol and 2,4-dichlorophenolare, respectively. The adsorption isotherms of phenolic compounds are linear with the C0 of 2.0-6.0 mmol L-1 and fit well to both the Linear and the Freundlich models, which indicated that the adsorption mechanism is mainly partition effects of organic phase within ZrP interlayer.

  18. Tandem intercalation strategy for single-layer nanosheets as an effective alternative to conventional exfoliation processes

    NASA Astrophysics Data System (ADS)

    Jeong, Sohee; Yoo, Dongwon; Ahn, Minji; Miró, Pere; Heine, Thomas; Cheon, Jinwoo

    2015-01-01

    Simple and effective generation of transition metal chalcogenides (TMCs) in a single-layer form has been a challenging task. Here we present a tandem molecular intercalation (TMI) as a new exfoliation concept for producing single-layer TMCs from multi-layer colloidal TMC nanostructures in solution phase. TMI requires tandem Lewis base intercalates, where short ‘initiator’ molecules first intercalate into TMCs to open up the interlayer gap, and the long ‘primary’ molecules then bring the gap to full width so that a random mixture of intercalates overcomes the interlayer force. Spontaneous exfoliation then yields single-layer TMCs. The TMI process is uniquely advantageous because it works in a simple one-step process under safe and mild conditions (that is, room temperature without sonication or H2 generation). With the appropriate intercalates, we have successfully generated single-layer nanostructures of group IV (TiS2, ZrS2), group V (NbS2) and VI (WSe2, MoS2) TMCs.

  19. Electrochemical Intercalation of Lithium Ions into NbSe2 Nanosheets.

    PubMed

    Hitz, Emily; Wan, Jiayu; Patel, Anand; Xu, Yue; Meshi, Louisa; Dai, Jiaqi; Chen, Yanan; Lu, Aijiang; Davydov, Albert V; Hu, Liangbing

    2016-05-11

    Transition metal dichalcogenides (TMDCs) have been known for decades to have unique properties and recently attracted broad attention for their two-dimensional (2D) characteristics. NbSe2 is a metallic TMDC that has been studied for its charge density wave transition behavior and superconductivity but is still largely unexplored for its potential use in engineered devices with applications in areas such as electronics, optics, and batteries. Thus, we successfully demonstrate and present evidence of lithium intercalation in NbSe2 as a technique capable of modifying the material properties of NbSe2 for further study. We demonstrate successful intercalation of Li ions into NbSe2 and confirm this result through X-ray diffraction, noting a unit cell size increase from 12.57 to 13.57 Å in the c lattice parameter of the NbSe2 after intercalation. We also fabricate planar half-cell electrochemical devices using ultrathin NbSe2 from platelets to observe evidence of Li-ion intercalation through an increase in the optical transmittance of the material in the visible range. Using 550 nm wavelength light, we observed an increase in optical transmittance of 26% during electrochemical intercalation. PMID:27100021

  20. Band-gap engineering with a twist: Formation of intercalant superlattices in twisted graphene bilayers

    NASA Astrophysics Data System (ADS)

    Symalla, Franz; Shallcross, Sam; Beljakov, Igor; Fink, Karin; Wenzel, Wolfgang; Meded, Velimir

    2015-05-01

    Graphene-based materials have long been considered as promising building blocks for a new generation of high-frequency (terahertz) electronic devices, but their use is complicated by the lack of an intrinsic band gap in graphene itself. Here we exploit synthetically controllable incommensuration of twisted graphene bilayers as a scaffold for intercalation of alkali metal ions with the periodicity of the bilayer supercell. Systematic exploration of the energy profiles of the ions as a function of position suggests that the alkali metal ions aggregate commensurately with the symmetry of the twisted bilayer. The intercalated alkali metal ions act as a source of a periodic perturbation on the level of the bilayer supercell, which permits opening and engineering of a band gap between graphene's π bands. The twist angle between the graphene layers determines the structure and disorder of the intercalant sublattice and, consequently, the magnitude of the band gap. Appropriate choices of the intercalant and twist angle thus permit band-gap engineering in graphene. We offer arguments that the impact of intercalation on the all important charge mobility of graphene will be rather small.

  1. Micromechanical properties of intercalated compounds of graphite oxide with dodecahydro- closo-dodecaboric acid

    NASA Astrophysics Data System (ADS)

    Karpenko, A. A.; Saldin, V. I.

    2016-08-01

    The micromechanical properties (Young's modulus, deformation, and adhesion) of the intercalated compound of graphite oxide with dodecahydro- closo-dodecaboric acid were studied by atomic force microscopy, transmission electron microscopy, and Raman spectroscopy and compared with the same characteristics of the starting graphite oxide. The significant difference in the micromechanical properties of the materials under study is dictated by differences in the topography and properties of their film surface, which, in turn, can be determined by their chemical composition. The introduction of dodecahydro- closo-dodecaboric acid in the interplanar space of graphite oxide affects the structuring of the latter. A considerable increase in the adhesion of the intercalated compound relative to that of oxide graphite is explained by high adhesive properties of the introduced acid, the Young's modulus of graphite oxide being higher than that of the intercalated compound. This was attributed to the high hydrophilicity of dodecahydro- closo-dodecaboric acid and the difficulty of water removal from the interplanar space; water plasticizes the material, which becomes softer than graphite oxide. The difference in the structure of the coating of the intercalated compounds and the starting graphite oxide was found to be also reflected by their Raman spectra, namely, by the increased intensity of the D line with the preserved position of the G line, which points to the impurity nature of the intercalate and the unchanged hexagonal lattice of graphite.

  2. Intercalation-assisted longitudinal unzipping of carbon nanotubes for green and scalable synthesis of graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Li, Yan-Sheng; Liao, Jia-Liang; Wang, Shan-Yu; Chiang, Wei-Hung

    2016-03-01

    We have demonstrated an effective intercalation of multi-walled carbon nanotubes (MWCNTs) for the green and scalable synthesis of graphene nanoribbons (GNRs) using an intercalation-assisted longitudinal unzipping of MWCNTs. The key step is to introduce an intercalation treatment of raw MWCNTs with KNO3 and H2SO4, making it promising to decrease the strong van der Waals attractions in the MWCNTs bundles and between the coaxial graphene walls of CNTs. Systematic micro Raman, X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD) characterizations suggest that potassium, nitrate, and sulfate ions play an important role in the CNT intertube and intratube intercalations during the pretreatment. Detailed scanning electron microscopy (SEM), transmission electron microscopy, XRD, and micro Raman characterizations indicate that the developed methodology possesses the ability to synthesis GNRs effectively with an improved CNT concentration in H2SO4 of 10 mg/ml at 70 °C, which is amenable to industrial-scale production because of the decreased amount of strong acid. Our work provides a scientific understanding how to enhance the GNR formation by accelerating the CNT longitudinal unzipping via suitable molecular intercalation.

  3. Intercalation-assisted longitudinal unzipping of carbon nanotubes for green and scalable synthesis of graphene nanoribbons.

    PubMed

    Li, Yan-Sheng; Liao, Jia-Liang; Wang, Shan-Yu; Chiang, Wei-Hung

    2016-01-01

    We have demonstrated an effective intercalation of multi-walled carbon nanotubes (MWCNTs) for the green and scalable synthesis of graphene nanoribbons (GNRs) using an intercalation-assisted longitudinal unzipping of MWCNTs. The key step is to introduce an intercalation treatment of raw MWCNTs with KNO3 and H2SO4, making it promising to decrease the strong van der Waals attractions in the MWCNTs bundles and between the coaxial graphene walls of CNTs. Systematic micro Raman, X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD) characterizations suggest that potassium, nitrate, and sulfate ions play an important role in the CNT intertube and intratube intercalations during the pretreatment. Detailed scanning electron microscopy (SEM), transmission electron microscopy, XRD, and micro Raman characterizations indicate that the developed methodology possesses the ability to synthesis GNRs effectively with an improved CNT concentration in H2SO4 of 10 mg/ml at 70 °C, which is amenable to industrial-scale production because of the decreased amount of strong acid. Our work provides a scientific understanding how to enhance the GNR formation by accelerating the CNT longitudinal unzipping via suitable molecular intercalation. PMID:26948486

  4. Synthesis of carbon black/carbon nitride intercalation compound composite for efficient hydrogen production.

    PubMed

    Wu, Zhaochun; Gao, Honglin; Yan, Shicheng; Zou, Zhigang

    2014-08-21

    The photoactivity of g-C3N4 is greatly limited by its high recombination rate of photogenerated carriers. Coupling g-C3N4 with other materials has been demonstrated to be an effective way to facilitate the separation and transport of charge carriers. Herein we report a composite of conductive carbon black and carbon nitride intercalation compound synthesized through facile one-step molten salt method. The as-prepared carbon black/carbon nitride intercalation compound composite was characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM), UV-vis absorption spectrum and photoluminescence spectroscopy (PL). The carbon black nanoparticles, homogeneously dispersed on the surface of carbon nitride intercalation compound, efficiently enhanced separation and transport of photogenerated carriers, thus improving the visible-light photocatalytic activity. The composite of 0.5 wt% carbon black and carbon nitride intercalation compound exhibited a H2 production rate of 68.9 μmol h(-1), which is about 3.2 times higher than hydrogen production on pristine carbon nitride intercalation compound.

  5. Drug discovery in academia.

    PubMed

    Shamas-Din, Aisha; Schimmer, Aaron D

    2015-08-01

    Participation of academic centers in aspects of drug discovery and development beyond target identification and clinical trials is rapidly increasing. Yet many academic drug discovery projects continue to stall at the level of chemical probes, and they infrequently progress to drugs suitable for clinical trials. This gap poses a major hurdle for academic groups engaged in drug discovery. A number of approaches have been pursued to overcome this gap, including stopping at the production of high-quality chemical probes, establishing the resources in-house to advance select projects toward clinical trials, partnering with not-for-profit groups to bring the necessary resources and expertise to develop probes into drugs, and drug repurposing, whereby known drugs are advanced into clinical trials for new indications. In this review, we consider the role of academia in anticancer drug discovery and development, as well as the strategies used by academic groups to overcome barriers in this process.

  6. Discovery Touches Down!

    NASA Video Gallery

    Discovery has completed its final mission, STS-133, for NASA's Space Shuttle Program landing on-time at Kennedy Space Center in Florida at 11:57 a.m. EST, March 9, 2011 after 202 orbits around Eart...

  7. The requirements discovery process

    SciTech Connect

    Bahill, A.T.; Dean, F.F.

    1997-02-01

    Cost and schedule overruns are often caused by poor requirements that are produced by people who do not understand the requirement process. This paper provides a high-level overview of the requirements discovery process.

  8. Toxins and drug discovery.

    PubMed

    Harvey, Alan L

    2014-12-15

    Components from venoms have stimulated many drug discovery projects, with some notable successes. These are briefly reviewed, from captopril to ziconotide. However, there have been many more disappointments on the road from toxin discovery to approval of a new medicine. Drug discovery and development is an inherently risky business, and the main causes of failure during development programmes are outlined in order to highlight steps that might be taken to increase the chances of success with toxin-based drug discovery. These include having a clear focus on unmet therapeutic needs, concentrating on targets that are well-validated in terms of their relevance to the disease in question, making use of phenotypic screening rather than molecular-based assays, and working with development partners with the resources required for the long and expensive development process.

  9. Electron doping through lithium intercalation to interstitial channels in tetrahedrally bonded SiC

    SciTech Connect

    Sakai, Yuki; Oshiyama, Atsushi

    2015-11-07

    We report on first-principles calculations that clarify the effect of lithium atom intercalation into zinc blende 3C-silicon carbide (3C-SiC) on electronic and structural properties. Lithium atoms inside 3C-SiC are found to donate electrons to 3C-SiC that is an indication of a new way of electron doping through the intercalation. The electrons doped into the conduction band interact with lithium cations and reduce the band spacing between the original valence and conduction bands. We have also found that a silicon monovacancy in 3C-SiC promotes the lithium intercalation, showing that the vacancy generation makes SiC as a possible anode material for lithium-ion battery.

  10. Cation intercalation and high volumetric capacitance of two-dimensional titanium carbide.

    PubMed

    Lukatskaya, Maria R; Mashtalir, Olha; Ren, Chang E; Dall'Agnese, Yohan; Rozier, Patrick; Taberna, Pierre Louis; Naguib, Michael; Simon, Patrice; Barsoum, Michel W; Gogotsi, Yury

    2013-09-27

    The intercalation of ions into layered compounds has long been exploited in energy storage devices such as batteries and electrochemical capacitors. However, few host materials are known for ions much larger than lithium. We demonstrate the spontaneous intercalation of cations from aqueous salt solutions between two-dimensional (2D) Ti3C2 MXene layers. MXenes combine 2D conductive carbide layers with a hydrophilic, primarily hydroxyl-terminated surface. A variety of cations, including Na(+), K(+), NH4(+), Mg(2+), and Al(3+), can also be intercalated electrochemically, offering capacitance in excess of 300 farads per cubic centimeter (much higher than that of porous carbons). This study provides a basis for exploring a large family of 2D carbides and carbonitrides in electrochemical energy storage applications using single- and multivalent ions.

  11. Controlling the actuation properties of MXene paper electrodes upon cation intercalation

    SciTech Connect

    Come, Jeremy E.; Black, Jennifer M.; Naguib, Michael; Lukatskaya, Maria R.; Beidaghi, Majid; Wesolowski, David J.; Gogotsi, Yury; Rondinone, Adam J.; Balke, Nina; Kalinin, Sergei V.

    2015-08-05

    Atomic force microscopy was used to monitor the macroscopic deformation in a delaminated Ti₃C₂ paper electrode in-situ, during charge/discharge in a variety of aqueous electrolytes to examine the effect of the cation intercalation on the electrochemical behavior and mechanical response. The results show a strong dependence of the electrode deformation on cation size and charge. The electrode undergoes a large contraction during Li⁺, Na⁺ or Mg²⁺ intercalation, differentiating the Ti₃C₂ paper from conventional electrodes where redox intercalation of ions (e.g. Li⁺) into the bulk phase (e.g. graphite, silicon) results in volumetric expansion. This feature may explain the excellent rate performance and cyclability reported for MXenes. We also demonstrated that the variation of the electromechanical contraction can be easily adjusted by electrolyte exchange, and shows interesting characteristics for the design of actuators based on 2D metal carbides.

  12. An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode.

    PubMed

    Ma, Zhujun; Palermo, Giulia; Adhireksan, Zenita; Murray, Benjamin S; von Erlach, Thibaud; Dyson, Paul J; Rothlisberger, Ursula; Davey, Curt A

    2016-06-20

    Understanding how small molecules interact with DNA is essential since it underlies a multitude of pathological conditions and therapeutic interventions. Many different intercalator compounds have been studied because of their activity as mutagens or drugs, but little is known regarding their interaction with nucleosomes, the protein-packaged form of DNA in cells. Here, using crystallographic methods and molecular dynamics simulations, we discovered that adducts formed by [(η(6) -THA)Ru(ethylenediamine)Cl][PF6 ] (THA=5,8,9,10-tetrahydroanthracene; RAED-THA-Cl[PF6 ]) in the nucleosome comprise a novel one-stranded intercalation and DNA distortion mode. Conversely, the THA group in fact remains solvent exposed and does not disrupt base stacking in RAED-THA adducts on B-form DNA. This newly observed DNA binding mode and topology dependence may actually be prevalent and should be considered when studying covalently binding intercalating compounds. PMID:27184539

  13. Keeping argon under a graphene lid-Argon intercalation between graphene and nickel(111)

    NASA Astrophysics Data System (ADS)

    Späth, Florian; Gotterbarm, Karin; Amende, Max; Bauer, Udo; Gleichweit, Christoph; Höfert, Oliver; Steinrück, Hans-Peter; Papp, Christian

    2016-01-01

    We report on the intercalation of graphene grown on a Ni(111) crystal with argon. Argon is implanted in the Ni(111) crystal by ion bombardment before graphene growth, and diffuses to the surface during the growth of graphene at elevated temperatures. Graphene acts as an atomically thin barrier and keeps the argon underneath. We investigated this system with high resolution X-ray photoelectron spectroscopy. From our experiments we determined the mean quantities of argon under graphene. From our analysis, a simple model to determine the pressure under the graphene layer is presented. In our measurements, we find an increased thermal stability of the intercalated graphene as compared to non-intercalated graphene on Ni(111).

  14. Reversible modification of the structural and electronic properties of a boron nitride monolayer by CO intercalation.

    PubMed

    Ng, May Ling; Shavorskiy, Andrey; Rameshan, Christoph; Mikkelsen, Anders; Lundgren, Edvin; Preobrajenski, Alexei; Bluhm, Hendrik

    2015-04-01

    We demonstrate the reversible intercalation of CO between a hexagonal boron nitride (h-BN) monolayer and a Rh(111) substrate above a threshold CO pressure of 0.01 mbar at room temperature. The intercalation of CO results in the flattening of the originally corrugated h-BN nanomesh and an electronic decoupling of the BN layer from the Rh substrate. The intercalated CO molecules assume a coverage and adsorption site distribution comparable to that on the free Rh(111) surface at similar conditions. The pristine h-BN nanomesh is reinstated upon heating to above 625 K. These observations may open up opportunities for a reversible tuning of the electronic and structural properties of monolayer BN films. PMID:25712198

  15. Potassium-intercalated H2Pc films: Alkali-induced electronic and geometrical modifications

    NASA Astrophysics Data System (ADS)

    Nilson, K.; Åhlund, J.; Shariati, M.-N.; Schiessling, J.; Palmgren, P.; Brena, B.; Göthelid, E.; Hennies, F.; Huismans, Y.; Evangelista, F.; Rudolf, P.; Göthelid, M.; Mârtensson, N.; Puglia, C.

    2012-07-01

    X-ray spectroscopy studies of potassium intercalated metal-free phthalocyanine multilayers adsorbed on Al(110) have been undertaken. Photoelectron spectroscopy measurements show the presence of several charge states of the molecules upon K intercalation, due to a charge transfer from the alkali. In addition, the comparison of valence band photoemission spectra with the density functional theory calculations of the density of states of the H2Pc- anion indicates a filling of the formerly lowest unoccupied molecular orbital by charge transfer from the alkali. This is further confirmed by x-ray absorption spectroscopy (XAS) studies, which show a decreased density of unoccupied states. XAS measurements in different experimental geometries reveal that the molecules in the pristine film are standing upright on the surface or are only slightly tilted away from the surface normal but upon K intercalation, the molecular orientation is changed in that the tilt angle of the molecules increases.

  16. Hydroxy double salts intercalated with Mn(II) complexes as potential contrast agents

    NASA Astrophysics Data System (ADS)

    Jin, Miao; Li, Wanjing; Spillane, Dominic E. M.; Geraldes, Carlos F. G. C.; Williams, Gareth R.; Bligh, S. W. Annie

    2016-03-01

    A series of Mn(II) aminophosphonate complexes were successfully synthesized and intercalated into the hydroxy double salt [Zn5(OH)8]Cl2·yH2O. Complex incorporation led to an increase in the interlayer spacing from 7.8 to 10-12 Å. Infrared spectroscopy showed the presence of the characteristic vibration peaks of the Mn(II) complexes in the intercalates' spectra, indicating successful incorporation. The complex-loaded composites had somewhat lower proton relaxivities than the pure complexes. Nevertheless, these intercalates may have use as MRI contrast agents for patients with poor kidney function, where traditional Gd(III)-based contrast agents cause severe renal failure.

  17. Millisecond analysis of double stranded DNA with fluorescent intercalator by micro-thermocontrol-device.

    PubMed

    Arata, Hideyuki F; Gillot, Frederic; Collard, Dominique; Fujita, Hiroyuki

    2009-08-15

    Study of interaction between DNA and intercalator at molecular level is important to understand the mechanisms of DNA replication and repair. A micro-fabricated local heating thermodevice was adapted to perform denaturation experiments of DNA with fluorescent intercalator on millisecond time scale. Response time of complete unzipping of double stranded DNA, 16 microm in length, was measured to be around 5 min by commercial thermocycler. Response time of quenching of double stranded DNA with fluorescent intercalator SYBR Green was measured to be 10 ms. Thus, quenching properties owing to strand unzipping and denaturation at base pair level were distinguished. This method has provided easy access to measure this parameter and may be a powerful methodology in analyzing biomolecules on millisecond time scale.

  18. The forces that shape embryos: physical aspects of convergent extension by cell intercalation

    NASA Astrophysics Data System (ADS)

    Keller, Ray; Shook, David; Skoglund, Paul

    2008-03-01

    We discuss the physical aspects of the morphogenic process of convergence (narrowing) and extension (lengthening) of tissues by cell intercalation. These movements, often referred to as 'convergent extension', occur in both epithelial and mesenchymal tissues during embryogenesis and organogenesis of invertebrates and vertebrates, and they play large roles in shaping the body plan during development. Our focus is on the presumptive mesodermal and neural tissues of the Xenopus (frog) embryo, tissues for which some physical measurements have been made. We discuss the physical aspects of how polarized cell motility, oriented along future tissue axes, generate the forces that drive oriented cell intercalation and how this intercalation results in convergence and extension or convergence and thickening of the tissue. Our goal is to identify aspects of these morphogenic movements for further biophysical, molecular and cell biological, and modeling studies.

  19. Effect of lightning strike on bromine intercalated graphite fiber/epoxy composites

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Slabe, Melissa E.; Brink, Norman O.

    1991-01-01

    Laminar composites were fabricated from pristine and bromine intercalated pitch based graphite fibers. It was found that laminar composites could be fabricated using either pristine or intercalated graphite fibers using standard fabrication techniques. The intercalated graphite fiber composites had electrical properties which were markedly improved over both the corresponding pitch based and polyacrylonitrile (PAN) based composites. Despite composites resistivities more than an order of magnitude lower for pitch based fiber composites, the lightning strike resistance was poorer than that of the Pan based fiber composites. This leads to the conclusion that the mechanical properties of the pitch fibers are more important than electrical or thermal properties in determining the lightning strike resistance. Based on indicated lightning strike tolerance for high elongation to failure materials, the use of vapor grown, rather than pitch based graphite fibers appears promising.

  20. Myosin II-mediated cell shape changes and cell intercalation contribute to primitive streak formation

    PubMed Central

    Song, Feifei; Sang, Helen M.; Martin, René; Knölker, Hans-Joachim; MacDonald, Michael P; Weijer, Cornelis J

    2016-01-01

    Primitive streak formation in the chick embryo involves large scale highly coordinated flows of over 100.000 cells in the epiblast. These large scale tissue flows and deformations can be correlated with specific anisotropic cell behaviours in the forming mesendoderm through a combined light-sheet microscopy and computational analysis. Relevant behaviours include apical contraction, elongation along the apical-basal axis followed by ingression as well as asynchronous directional cell intercalation of small groups of mesendoderm cells. Cell intercalation is associated with sequential, directional contraction of apical junctions, the onset, localisation and direction of which correlate strongly with the appearance of active Myosin II cables in aligned apical junctions in neighbouring cells. Use of a class specific Myosin inhibitors and gene specific knockdowns show that apical contraction and intercalation are Myosin II dependent and also reveal critical roles for Myosin I and Myosin V family members in the assembly of junctional Myosin II cables. PMID:25812521

  1. Force-dependent persistence length of DNA-intercalator complexes measured in single molecule stretching experiments.

    PubMed

    Bazoni, R F; Lima, C H M; Ramos, E B; Rocha, M S

    2015-06-01

    By using optical tweezers with an adjustable trap stiffness, we have performed systematic single molecule stretching experiments with two types of DNA-intercalator complexes, in order to investigate the effects of the maximum applied forces on the mechanical response of such complexes. We have explicitly shown that even in the low-force entropic regime the persistence length of the DNA-intercalator complexes is strongly force-dependent, although such behavior is not exhibited by bare DNA molecules. We discuss the possible physicochemical effects that can lead to such results. In particular, we propose that the stretching force can promote partial denaturation on the highly distorted double-helix of the DNA-intercalator complexes, which interfere strongly in the measured values of the persistence length. PMID:25913936

  2. Nanoscale spinel LiFeTiO4 for intercalation pseudocapacitive Li(+) storage.

    PubMed

    Chen, Ruiyong; Knapp, Michael; Yavuz, Murat; Ren, Shuhua; Witte, Ralf; Heinzmann, Ralf; Hahn, Horst; Ehrenberg, Helmut; Indris, Sylvio

    2015-01-14

    Intercalation pseudocapacitive Li(+) storage has been recognized recently in metal oxide materials, wherein Li(+) intercalation into the lattice is not solid-state diffusion-limited. This may bridge the performance gap between electrochemical capacitors and battery materials. To date, only a few materials with desired crystal structure and with well-defined nanoarchitectures have been found to exhibit such attractive behaviour. Herein, we report for the first time that nanoscale spinel LiFeTiO4 as a cathode material for Li-ion batteries exhibits intercalation pseudocapacitive Li(+) storage behaviour. Nanoscale LiFeTiO4 nanoparticles with native carbon coating were synthesized by a sol-gel route. A fast and large-amount of Li(+) storage (up to 1.6 Li(+) per formula unit over cycling) in the nanoscale LiFeTiO4 host has been achieved without compromising kinetics.

  3. Anion charge storage through oxygen intercalation in LaMnO3 perovskite pseudocapacitor electrodes

    NASA Astrophysics Data System (ADS)

    Mefford, J. Tyler; Hardin, William G.; Dai, Sheng; Johnston, Keith P.; Stevenson, Keith J.

    2014-07-01

    Perovskite oxides have attracted significant attention as energy conversion materials for metal-air battery and solid-oxide fuel-cell electrodes owing to their unique physical and electronic properties. Amongst these unique properties is the structural stability of the cation array in perovskites that can accommodate mobile oxygen ions under electrical polarization. Despite oxygen ion mobility and vacancies having been shown to play an important role in catalysis, their role in charge storage has yet to be explored. Herein we investigate the mechanism of oxygen-vacancy-mediated redox pseudocapacitance for a nanostructured lanthanum-based perovskite, LaMnO3. This is the first example of anion-based intercalation pseudocapacitance as well as the first time oxygen intercalation has been exploited for fast energy storage. Whereas previous pseudocapacitor and rechargeable battery charge storage studies have focused on cation intercalation, the anion-based mechanism presented here offers a new paradigm for electrochemical energy storage.

  4. Combined experimental and theoretical investigation of interactions between kaolinite inner surface and intercalated dimethyl sulfoxide

    NASA Astrophysics Data System (ADS)

    Zhang, Shuai; Liu, Qinfu; Cheng, Hongfei; Zeng, Fangui

    2015-03-01

    Kaolinite intercalation complex with dimethyl sulfoxide (DMSO) was investigated by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and thermogravimetry-differential scanning calorimetry (TG-DSC) combined with molecular dynamics simulation. The bands assigned to the OH stretching of inner surface of kaolinite were significantly perturbed after intercalation of DMSO into kaolinite. Additionally, the bands attributed to the vibration of gibbsite-like layers of kaolinite shifted to the lower wave number, indicating that the intercalated DMSO were strongly hydrogen bonded to the alumina octahedral surface of kaolinite. The slightly decreased intensity of 1031 cm-1 and 1016 cm-1 band due to the in-plane vibration of Sisbnd O of kaolinite revealed that some DMSO molecules formed weak hydrogen bonds with the silicon tetrahedral surface of kaolinite. Based on the TG result of kaolinite-DMSO intercalation complex, the formula of A12Si2O5(OH)4(DMSO)0.7 was obtained, with which the kaolinite-DMSO complex model was constructed. The molecular dynamics simulation of kaolinite-DMSO complex directly confirmed the monolayer structure of DMSO in interlayer space of kaolinite, where the DMSO arranged almost parallel with kaolinite basal surface with all methyl groups being distributed near the interlayer midplane and oxygen atoms orienting toward to the alumina octahedral surface. The radial distribution function between kaolinite and intercalated DMSO verified the strong hydrogen bonds forming between hydroxyl hydrogen atoms of alumina octahedral surface and oxygen atoms of DMSO. Moreover, some methyl groups of DMSO were weakly hydrogen bonded to the oxygen atoms of silicon tetrahedral surface through the hydrogen atoms. The mean square displacement of DMSO oxygen atoms and hydrogen atoms in z direction kept unchanged during the simulation time because of the hydrogen-bond interaction between inner surface of kaolinite and DMSO, which constrained the mobility

  5. Role of Cooperative Interactions in the Intercalation of Heteroatoms between Graphene and a Metal Substrate

    NASA Astrophysics Data System (ADS)

    Du, Shixuan

    Graphene, a two-dimensional crystal of carbon atoms packed in a honeycomb structure, has many promising mechanical, electrical, and optical properties. The intercalation of heteroatoms between graphene and a metal substrate has been studied intensively over the past few years, due to its effect on the graphene properties, and as a method to create vertical heterostructures. Various intercalation processes have been reported with different combinations of heteroatoms and substrates. In this talk, I will present the investigation of the key processes governing the intercalation of heteroatoms between graphene and a substrate by combining atomic-scale characterization with density functional theory (DFT). Si intercalation between graphene and Ru(0001) is chosen as a test bed. We elucidate the role of cooperative interactions between heteroatoms, graphene, and substrate. By combining scanning tunneling microscopy with density functional theory, the intercalation process is confirmed to consist of four key steps, involving creation of defects, migration of heteroatoms, self-repairing of graphene, and growth of an intercalated monolayer. Other combinations of heteroatoms (such as Ni, Pd and Pt) and substrates (such as Ir(111) and SiC(0001)) are also investigated to support the generality of our study. Both theory and experiments indicate that this mechanism applies also to other combinations of heteroatoms and substrates. (G. Li et al., J. Am. Chem. Soc. 137 (2015) 7099. In collaboration with G. Li, H.T. Zhou, L.D. Pan, Y. Zhang, L. Huang, W.Y. Xu, and H.J. Gao in CAS, Min Ouyang in MU, and A.C. Ferrari in U. Cambridge.)

  6. Hydroxy double salts loaded with bioactive ions: Synthesis, intercalation mechanisms, and functional performance

    NASA Astrophysics Data System (ADS)

    Kaassis, Abdessamad Y. A.; Xu, Si-Min; Guan, Shanyue; Evans, David G.; Wei, Min; Williams, Gareth R.

    2016-06-01

    The intercalation of the anions of diclofenac (Dic), naproxen (Nap), and valproic acid (Val) into three hydroxy double salts (HDSs) has been explored in this work. Experiments were performed with [Co1.2Zn3.8(OH)8](NO3)2·2H2O (CoZn-NO3), [Ni2Zn3(OH)8](NO3)2·2H2O (NiZn-NO3) and [Zn5(OH)8](NO3)2·2H2O (Zn-NO3). It proved possible to intercalate diclofenac and naproxen into all three HDSs. In contrast, Val could be intercalated into CoZn-NO3 but when it was reacted with Zn-NO3 the HDS structure was destroyed, and the product comprised ZnO. Successful intercalation was verified by X-ray diffraction, IR spectroscopy, and elemental microanalysis. Molecular dynamics simulations showed the Dic and Nap ions to arrange themselves in an "X" shape in the interlayer space, forming a bilayer. Val was found to adopt a position with its aliphatic groups parallel to the HDS layer, again in a bilayer. In situ time resolved X-ray diffraction experiments revealed that intercalation of Dic and Nap into CoZn-NO3 and Zn-NO3 is mechanistically complex, with a number of intermediate phases observed. In contrast, the intercalation of all three guests into NiZn-NO3 and of Val into CoZn-NO3 are simple one step reactions proceeding directly from the starting material to the product. The HDS-drug composites were found to have sustained release profiles.

  7. Novel alkylimidazolium/vanadium pentoxide intercalation compounds with excellent adsorption performance for methylene blue

    SciTech Connect

    Kong Aiguo; Ding Yongjie; Wang Ping; Zhang Hengqiang; Yang Fan; Shan Yongkui

    2011-02-15

    Novel alkylimidazolium-intercalated V{sub 2}O{sub 5} compounds were synthesized by a redox reaction between iodide ion and V{sub 2}O{sub 5}. The X-ray photoelectron spectroscopy and the diffuse reflectance UV-vis spectrometry experiments reveal that the vanadium in the intercalated V{sub 2}O{sub 5} products was partially reduced by an iodide ion and the resultant iodine can be removed in the final products. The transmission electron microscope observation and X-ray diffraction analysis testify that the prepared alkylimidazolium/V{sub 2}O{sub 5} intercalation compounds have typical lamellar structure with different d{sub 100} interlayer spacing values and the special straw-like nanofiber morphology with the length of 0.5-10 {mu}m. Systematic investigation indicates that new intercalation compounds possess the extraordinary adsorption performance for methylene blue in an aqueous solution. -- Graphical abstract: The alkylimidazolium-intercalated V{sub 2}O{sub 5} compounds with special straw-like nanofiber morphology were synthesized by a redox reaction between iodide ion and V{sub 2}O{sub 5}, which show the excellent adsorption performance for methylene blue in an aqueous medium. Display Omitted Research highlights: {yields} Novel alkylimidazolium-intercalated V{sub 2}O{sub 5} compounds. {yields} A simple preparation method by a redox reaction between iodide ion in ionic liquid and V{sub 2}O{sub 5}. {yields} The excellent adsorption performance for methylene blue in an aqueous medium.

  8. The effect of hydrazine intercalation on the structure and capacitance of 2D titanium carbide (MXene).

    PubMed

    Mashtalir, O; Lukatskaya, M R; Kolesnikov, A I; Raymundo-Piñero, E; Naguib, M; Barsoum, M W; Gogotsi, Y

    2016-04-28

    Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. The hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g(-1) in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.

  9. Plasma synthesis of lithium based intercalation powders for solid polymer electrolyte batteries

    SciTech Connect

    Kong, Peter C.; Pink, Robert J.; Nelson, Lee O.

    2005-01-04

    The invention relates to a process for preparing lithium intercalation compounds by plasma reaction comprising the steps of: forming a feed solution by mixing lithium nitrate or lithium hydroxide or lithium oxide and the required metal nitrate or metal hydroxide or metal oxide and between 10-50% alcohol by weight; mixing the feed solution with O.sub.2 gas wherein the O.sub.2 gas atomizes the feed solution into fine reactant droplets, inserting the atomized feed solution into a plasma reactor to form an intercalation powder; and if desired, heating the resulting powder to from a very pure single phase product.

  10. Mg2Si As Li-Intercalation Host For Li Cells

    NASA Technical Reports Server (NTRS)

    Huang, Chen-Kuo; Surampudi, Subbarao; Attia, Alan; Halpert, Gerald

    1993-01-01

    Compound Mg2Si shows promise as lithium-intercalation host for ambient-temperature rechargeable lithium electrochemical cells. As anode reactant material, LiXMg2Si chemically stable in presence of organic electrolyte used in such cells and stores large amounts of lithium. Intercalation reactions highly reversible at room temperature. Also retains sufficient mechanical strength during charge/discharge cycling. Lithium cells containing LixMg2Si anodes prove useful in spacecraft, military, communications, automotive, and other applications in which high energy-storage densities of lithium cells in general and rechargeability of cells needed.

  11. Intercalation-induced phases in layer compounds of the A /SUP III/ B /SUP VI/ -type

    SciTech Connect

    Kovalyuk, Z.D.; Pyrlya, M.N.; Seredyuk, A.I.; Tovstyuk, K.D.

    1986-03-01

    The authors investigate the kinetics of combined electrochemical intercalation and the physicochemical properties of the introduced phases. InSe and GaSe single crystals were used in the experiments; the crystals were grown by the Bridgman method. The authors determined the concentration dependences of the electrode potentials and electrical conductivity of the compounds InSe and GaSe intercalated with lithium and lead. The results of the measurements are presented. Lithium and lead enter into the matrix of the crystals in a nonconducting state.

  12. Plasma Synthesis of Lithium Based Intercalation Powders for Solid Polymer Electrolyte Batteries

    SciTech Connect

    Kong, Peter C.; Pink, Robert J.; Nelson, Lee O.

    2005-01-04

    The invention relates to a process for preparing lithium intercalation compounds by plasma reaction comprising the steps of: forming a feed solution by mixing lithium nitrate or lithium hydroxide or lithium oxide and the required metal nitrate or metal hydroxide or metal oxide and between 10-50% alcohol by weight; mixing the feed solution with O2 gas wherein the O2 gas atomizes the feed solution into fine reactant droplets, inserting the atomized feed solution into a plasma reactor to form an intercalation powder; and if desired, heating the resulting powder to form a very pure single phase product.

  13. The effect of hydrazine intercalation on the structure and capacitance of 2D titanium carbide (MXene)

    DOE PAGESBeta

    Mashtalir, O.; Lukatskaya, Maria R.; Kolesnikov, Alexander I.; Raymundo-Pinero, E.; Naguib, Michael; Barsoum, M. W.; Gogotsi, Yury G.

    2016-03-25

    Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. Furthermore, the hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g–1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.

  14. Metallic conductivity and air stability in copper chloride intercalated carbon fibers

    NASA Technical Reports Server (NTRS)

    Oshima, H.; Woollam, J. A.; Yavrouian, A.

    1982-01-01

    Carbon-copper chloride intercalation compounds have been obtained by using variously graphitized carbon fibers as host materials. The resultant conductors are air stable, thermally stable to 450 K, have electrical resistivities as low as 12.9 microohm cm at room temperature, and have metallic conductivity temperature dependencies. These intercalated fibers have tensile strengths of 160000 psi, and Young's moduli of 25 x 10 to the 6th psi. For aerospace use, 1/(resistivity x density) is a figure of merit. On this basis, a reduction in resistivity by a factor of two will make this conductor competitive with copper.

  15. Theoretical investigation of the atomic and electronic structure of Li{sub x}BC{sub 3} intercalated compounds

    SciTech Connect

    Kuzubov, A. A.; Eliseeva, N. S.; Krasnov, P. O.; Tomilin, F. N.; Fedorov, A. S.; Lykhin, A. O.

    2012-06-15

    Li{sub x}BC{sub 3} intercalated compounds with various configurations are studied for their possible application as electrode materials for lithium current sources. For this purpose, the band structure and the density of states were calculated for each structure, and energy stability and possible deformations due to a change in the unit cell volume during intercalation are investigated.

  16. X-ray diffraction studies of intercalation compounds prepared from aniline salts and montmorillonite by a mechanochemical processing

    NASA Astrophysics Data System (ADS)

    Yoshimoto, Shoji; Ohashi, Fumihiko; Kameyama, Tetsuya

    2005-11-01

    Inorganic-organic intercalation compounds comprised of montmorillonite (MMT) and aniline salts with different counter anions were prepared by a mechanochemical processing. The intercalation process and the formed structure of intercalation compounds were investigated via X-ray diffraction analysis. The amounts of intercalated species were very likely dependent on the types of counter anions and increased with decreasing the size of counter anions during the mechanochemical processing. Very interestingly, much larger interlayer expansions of 1.51 nm was observed for aniline hydrofluoride AnF- and aniline hydrochloride AnCl-MMT systems in higher intercalates loading levels, suggesting that neutral guest molecules also introduce within the interlayer regions together with anilinium cations by van der Waals interactions. Judging from the larger interlayer expansions and the size of guest molecules, intercalated species are expected to prefer a tri-molecular layer arrangement with their aromatic rings perpendicular to the silicate sheets. In contrast, for aniline hydrobromide AnBr-MMT, the interlayer expansion was ca. 0.52 nm, which reveals that only anilinium cations are introduced by ion exchange and they probably adopt a vertical orientation in the interlayers. It is inferred that aniline hydroiodide AnI-MMT compounds have a heterogeneous structure containing both anilinium and sodium cations in the interlayers. Different intercalation behaviors during the mechanochemical processing strongly suggest the smaller the size of counter anions, the more guest molecules can be intercalated into the confined clay interlayers in highly ordered arrangements.

  17. A Decade of Discovery

    SciTech Connect

    2008-01-01

    This book provides a fascinating account of some of the most significant scientific discoveries and technological innovations coming out of the U.S. Department of Energy’s National Laboratories. This remarkable book illustrates how the men and women of the National Laboratories are keeping us on the cutting edge. Though few Americans are familiar with the scope and scale of the work conducted at these National Laboratories, their research is literally changing our lives and bettering our planet. The book describes the scientific discoveries and technological advancements "in recognition of the men and women working in DOE's seventeen national laboratories across the country." Through highly vivid and accessible stories, this book details recent breakthroughs in three critical areas: 1) Energy and Environment, 2) National Security and 3) Life and Physical Science. The book illustrates how this government-funded research has resulted in more energy-efficient buildings; new, cleaner alternative fuels that reduce greenhouse gas emissions; safer, more efficient, nuclear power plants; improved responses to disease outbreaks; more secure and streamlined airport security; more effective treatments for cancer and other diseases; and astonishing discoveries that are altering our understanding of the universe and enabling scientific breakthroughs in fields such as nanotechnology and particle physics. Specifically, it contains 37 stories. A Decade of Discovery is truly a recent history of discovery - and a fascinating look at what the next decade holds.

  18. The discovery of alkaloids.

    PubMed

    Hosztafi, S

    1997-07-01

    This paper presents the history of the discovery of the first alkaloids. Isolation of alkaloids is connected with the study of the active principles of medicines of plant origin, for example opium and cinchona bark. Sertürner described morphine as a plant alkali and claimed that it was capable of neutralizing free acids yielding salts. The recognition of alkaloids as a new class of compounds was an important step at that time because of the dogmatic denial of the possible existence of plant bases. Isolation of alkaloids is a significant event from the point of view of chemistry, physiology and medicine. The discovery caused essential conceptual changes in chemistry. Priority claims with reference to the discovery of the alkaloids are also reviewed.

  19. The Discovery of Electrography

    NASA Astrophysics Data System (ADS)

    Samuilova, Larissa; Samuilov, Vladimir

    Prof. Jakob Narkiewicz-Jodko (1947-1905) major discoveries are: Electrography - the method of the visualization of corona discharge (corona discharge photography) from the bodies due to the application of high strength and high frequency electric fields, and the first observation of the propagation of the electromagnetic waives for information transfer over the distances. They were made in his laboratory, located at his manor home Nadniemen in Eastern Europe. We describe these experiments and equipment used in the Lab for these discoveries. We also introduce a mathematical algorithm for the analysis of the electrography images.

  20. Discovery of Charm

    DOE R&D Accomplishments Database

    Goldhaber, G.

    1984-11-01

    In my talk I will cover the period 1973 to 1976 which saw the discoveries of the J/psi and psi' resonances and most of the Psion spectroscopy, the tau lepton and the D0030099,D0015599 charmed meson doublet. Occasionally I will refer briefly to more recent results. Since this conference is on the history of the weak-interactions I will deal primarily with the properties of naked charm and in particular the weakly decaying doublet of charmed mesons. Most of the discoveries I will mention were made with the SLAC-LBL Magnetic Detector or MARK I which we operated at SPEAR from 1973 to 1976.

  1. Enhancement of electron–phonon coupling in Cs-overlayered intercalated bilayer graphene

    NASA Astrophysics Data System (ADS)

    Kleeman, J.; Sugawara, K.; Sato, T.; Takahashi, T.

    2016-05-01

    We have performed high-resolution angle-resolved photoemission spectroscopy (ARPES) on cesium (Cs) intercalated bilayer graphene with a Cs overlayer (Cs-C8CsC8). Low-energy electron diffraction shows a (2  ×  2) pattern consistent with intercalation of a Cs layer similar to bulk C8Cs, in addition to the signature of a nearly commensurate superstructure created by the Cs overlayer. ARPES results reveal folding of the π bands due to the periodic (2  ×  2) potential of the intercalated Cs atoms, together with a free-electron-like state at the Γ point. Significant mass renormalization is observed in the band dispersion near the Fermi level, indicative of strong electron–phonon coupling. Based on analysis of the self-energy, we find anisotropic electron–phonon coupling with an estimated strength of λ =0.38   ±  0.02 in the K-Γ direction, and λ =0.60+/- 0.02 in the K-M direction. This coupling is much larger than that of other doped graphenes, and comparable to superconducting bulk GICs. We attribute this large electron–phonon coupling constant to the presence of the Cs overlayer, which highly dopes {π\\ast} bands, and creates a structure similar to stage-I graphite intercalation compounds.

  2. Intercalation-controlled cyclodehydration of sorbitol in water over layered-niobium-molybdate solid acid.

    PubMed

    Morita, Yuya; Furusato, Shogo; Takagaki, Atsushi; Hayashi, Shigenobu; Kikuchi, Ryuji; Oyama, S Ted

    2014-03-01

    Layered niobium molybdate (HNbMoO6 ) was used in the aqueous-phase dehydration of sorbitol and was found to exhibit remarkable selectivity toward its monomolecular-dehydrated intermediate 1,4-sorbitan. This was attributed to the selective intercalation of sorbitol within the interlayers with strong Brønsted acid sites.

  3. Enhancement of electron-phonon coupling in Cs-overlayered intercalated bilayer graphene

    NASA Astrophysics Data System (ADS)

    Kleeman, J.; Sugawara, K.; Sato, T.; Takahashi, T.

    2016-05-01

    We have performed high-resolution angle-resolved photoemission spectroscopy (ARPES) on cesium (Cs) intercalated bilayer graphene with a Cs overlayer (Cs-C8CsC8). Low-energy electron diffraction shows a (2  ×  2) pattern consistent with intercalation of a Cs layer similar to bulk C8Cs, in addition to the signature of a nearly commensurate superstructure created by the Cs overlayer. ARPES results reveal folding of the π bands due to the periodic (2  ×  2) potential of the intercalated Cs atoms, together with a free-electron-like state at the Γ point. Significant mass renormalization is observed in the band dispersion near the Fermi level, indicative of strong electron-phonon coupling. Based on analysis of the self-energy, we find anisotropic electron-phonon coupling with an estimated strength of λ =0.38   ±  0.02 in the K-Γ direction, and λ =0.60+/- 0.02 in the K-M direction. This coupling is much larger than that of other doped graphenes, and comparable to superconducting bulk GICs. We attribute this large electron-phonon coupling constant to the presence of the Cs overlayer, which highly dopes {π\\ast} bands, and creates a structure similar to stage-I graphite intercalation compounds.

  4. Europium underneath graphene on Ir(111): Intercalation mechanism, magnetism, and band structure

    NASA Astrophysics Data System (ADS)

    Schumacher, Stefan; Huttmann, Felix; Petrović, Marin; Witt, Christian; Förster, Daniel F.; Vo-Van, Chi; Coraux, Johann; Martínez-Galera, Antonio J.; Sessi, Violetta; Vergara, Ignacio; Rückamp, Reinhard; Grüninger, Markus; Schleheck, Nicolas; Meyer zu Heringdorf, Frank; Ohresser, Philippe; Kralj, Marko; Wehling, Tim O.; Michely, Thomas

    2014-12-01

    The intercalation of Eu underneath Gr on Ir(111) is comprehensively investigated by microscopic, magnetic, and spectroscopic measurements, as well as by density functional theory. Depending on the coverage, the intercalated Eu atoms form either a (2 ×2 ) or a (√{3 }×√{3 }) R 30∘ superstructure with respect to Gr. We investigate the mechanisms of Eu penetration through a nominally closed Gr sheet and measure the electronic structures and magnetic properties of the two intercalation systems. Their electronic structures are rather similar. Compared to Gr on Ir(111), the Gr bands in both systems are essentially rigidly shifted to larger binding energies resulting in n doping. The hybridization of the Ir surface state S1 with Gr states is lifted, and the moiré superperiodic potential is strongly reduced. In contrast, the magnetic behavior of the two intercalation systems differs substantially, as found by x-ray magnetic circular dichroism. The (2 ×2 ) Eu structure displays plain paramagnetic behavior, whereas for the (√{3 }×√{3 }) R 30∘ structure the large zero-field susceptibility indicates ferromagnetic coupling, despite the absence of hysteresis at 10 K. For the latter structure, a considerable easy-plane magnetic anisotropy is observed and interpreted as shape anisotropy.

  5. Temperature dependent local atomic displacements in ammonia intercalated iron selenide superconductor

    PubMed Central

    Paris, E.; Simonelli, L.; Wakita, T.; Marini, C.; Lee, J.-H.; Olszewski, W.; Terashima, K.; Kakuto, T.; Nishimoto, N.; Kimura, T.; Kudo, K.; Kambe, T.; Nohara, M.; Yokoya, T.; Saini, N. L.

    2016-01-01

    Recently, ammonia-thermal reaction has been used for molecular intercalation in layered FeSe, resulting a new Lix(NH3)yFe2Se2 superconductor with Tc ~ 45 K. Here, we have used temperature dependent extended x-ray absorption fine structure (EXAFS) to investigate local atomic displacements in single crystals of this new superconductor. Using polarized EXAFS at Fe K-edge we have obtained direct information on the local Fe-Se and Fe-Fe bondlengths and corresponding mean square relative displacements (MSRD). We find that the Se-height in the intercalated system is lower than the one in the binary FeSe, suggesting compressed FeSe4 tetrahedron in the title system. Incidentally, there is hardly any effect of the intercalation on the bondlengths characteristics, revealed by the Einstein temperatures, that are similar to those found in the binary FeSe. Therefore, the molecular intercalation induces an effective compression and decouples the FeSe slabs. Furthermore, the results reveal an anomalous change in the atomic correlations across Tc, appearing as a clear decrease in the MSRD, indicating hardening of the local lattice mode. Similar response of the local lattice has been found in other families of superconductors, e.g., A15-type and cuprates superconductors. This observation suggests that local atomic correlations should have some direct correlation with the superconductivity. PMID:27276997

  6. Structural and electronic properties of Li-intercalated graphene on SiC(0001)

    NASA Astrophysics Data System (ADS)

    Caffrey, Nuala M.; Johansson, Leif I.; Xia, Chao; Armiento, Rickard; Abrikosov, Igor A.; Jacobi, Chariya

    2016-05-01

    We investigate the structural and electronic properties of Li-intercalated monolayer graphene on SiC(0001) using combined angle-resolved photoemission spectroscopy and first-principles density functional theory. Li intercalates at room temperature both at the interface between the buffer layer and SiC and between the two carbon layers. The graphene is strongly n -doped due to charge transfer from the Li atoms and two π bands are visible at the K ¯ point. After heating the sample to 300 ∘C , these π bands become sharp and have a distinctly different dispersion to that of Bernal-stacked bilayer graphene. We suggest that the Li atoms intercalate between the two carbon layers with an ordered structure, similar to that of bulk LiC6. An AA stacking of these two layers becomes energetically favourable. The π bands around the K ¯ point closely resemble the calculated band structure of a C6LiC6 system, where the intercalated Li atoms impose a superpotential on the graphene electronic structure that opens gaps at the Dirac points of the two π cones.

  7. Dynamic tuning of DNA-nanoparticle superlattices by molecular intercalation of double helix.

    PubMed

    Pal, Suchetan; Zhang, Yugang; Kumar, Sanat K; Gang, Oleg

    2015-04-01

    Nanoparticle (NP) assembly using DNA recognition has emerged as a powerful tool for the fabrication of 3D superlattices. In addition to the vast structural diversity, this approach provides an avenue for dynamic 3D NP assembly, which is promising for the modulation of interparticle distances and, hence, for example, for in situ tuning of optical properties. While several approaches have been explored for changing NP separations in the lattices using responsiveness of single-stranded DNA (ss-DNA), far less work has been done for the manipulation of most abundant double-stranded DNA (ds-DNA) motifs. Here, we present a novel strategy for modulation of interparticle distances in DNA linked 3D self-assembled NP lattices by molecular intercalator. We utilize ethidium bromide (EtBr) as a model intercalator to demonstrate selective and isotropic lattice expansion for three superlattice types (bcc, fcc, and AlB2) due to the intercalation of ds-DNA linking NPs. We further show the reversibility of the lattice parameter using n-butanol as a retrieving agent as well as an increased lattice thermal stability by 12-14 °C due to the inclusion of EtBr. The proposed intercalator-based strategy permits the creation of reconfigurable and thermally stable superlattices, which could lead to tunable and functionally responsive materials.

  8. Ca intercalated bilayer graphene as a thinnest limit of superconducting C6Ca.

    PubMed

    Kanetani, Kohei; Sugawara, Katsuaki; Sato, Takafumi; Shimizu, Ryota; Iwaya, Katsuya; Hitosugi, Taro; Takahashi, Takashi

    2012-11-27

    Success in isolating a 2D graphene sheet from bulky graphite has triggered intensive studies of its physical properties as well as its application in devices. Graphite intercalation compounds (GICs) have provided a platform of exotic quantum phenomena such as superconductivity, but it is unclear whether such intercalation is feasible in the thinnest 2D limit (i.e., bilayer graphene). Here we report a unique experimental realization of 2D GIC, by fabricating calcium-intercalated bilayer graphene C(6)CaC(6) on silicon carbide. We have investigated the structure and electronic states by scanning tunneling microscopy and angle-resolved photoemission spectroscopy. We observed a free-electron-like interlayer band at the Brillouin-zone center, which is thought to be responsible for the superconductivity in 3D GICs, in addition to a large π* Fermi surface at the zone boundary. The present success in fabricating Ca-intercalated bilayer graphene would open a promising route to search for other 2D superconductors as well as to explore its application in devices.

  9. Mechanochemical synthesis and intercalation of Ca(II)Fe(III)-layered double hydroxides

    NASA Astrophysics Data System (ADS)

    Ferencz, Zs.; Szabados, M.; Varga, G.; Csendes, Z.; Kukovecz, Á.; Kónya, Z.; Carlson, S.; Sipos, P.; Pálinkó, I.

    2016-01-01

    A mechanochemical method (grinding the components without added water - dry grinding, followed by further grinding in the presence of minute amount of water or NaOH solution - wet grinding) was used in this work for the preparation and intercalation of CaFe-layered double hydroxides (LDHs). Both the pristine LDHs and the amino acid anion (cystinate and tyrosinate) intercalated varieties were prepared by the two-step grinding procedure in a mixer mill. By systematically changing the conditions of the preparation method, a set of parameters could be determined, which led to the formation of close to phase-pure LDH. The optimisation procedure was also applied for the intercalation processes of the amino acid anions. The resulting materials were structurally characterised by a range of methods (X-ray diffractometry, scanning electron microscopy, energy dispersive analysis, thermogravimetry, X-ray absorption and infra-red spectroscopies). It was proven that this simple mechanochemical procedure was able to produce complex organic-inorganic nanocomposites: LDHs intercalated with amino acid anions.

  10. Synthesis, characterization, and controlled release antibacterial behavior of antibiotic intercalated Mg–Al layered double hydroxides

    SciTech Connect

    Wang, Yi; Zhang, Dun

    2012-11-15

    Graphical abstract: The antibiotic anion released from Mg–Al LDHs provides a controlled release antibacterial activity against the growth of Micrococcus lysodeikticus in 3.5% NaCl solution. Highlights: ► Antibiotic anion intercalated LDHs were synthesized and characterized. ► The ion-exchange one is responsible for the release process. ► The diffusion through particle is the release rate limiting step. ► LDHs loaded with antibiotic anion have high antibacterial capabilities. -- Abstract: Antibiotic–inorganic clay composites including four antibiotic anions, namely, benzoate (BZ), succinate (SU), benzylpenicillin (BP), and ticarcillin (TC) anions, intercalated Mg–Al layered double hydroxides (LDHs) were synthesized via ion-exchange. Powder X-ray diffraction and Fourier transform infrared spectrum analyses showed the successful intercalation of antibiotic anion into the LDH interlayer. BZ and BP anions were accommodated in the interlayer region as a bilayer, whereas SU and TC anions were intercalated in a monolayer arrangement. Kinetic simulation of the release data indicated that ion-exchange was responsible for the release process, and the diffusion through the particles was the rate-limiting step. The antibacterial capabilities of LDHs loaded with antibiotic anion toward Micrococcus lysodeikticus growth were analyzed using a turbidimetric method. Significant high inhibition rate was observed when LDH nanohybrid was introduced in 3.5% NaCl solution. Therefore, this hybrid material may be applied as nanocontainer in active antifouling coating for marine equipment.

  11. Copper intercalation at the interface of graphene and Ir(111) studied by scanning tunneling microscopy

    SciTech Connect

    Sicot, M. Fagot-Revurat, Y.; Kierren, B.; Vasseur, G.; Malterre, D.

    2014-11-10

    We report on the intercalation of a submonolayer of copper at 775 K underneath graphene epitaxially grown on Ir(111) studied by means of low energy electron diffraction (LEED) and scanning tunneling microscopy (STM) at 77 K. Nucleation and growth dynamics of Cu below graphene have been investigated, and, most importantly, the intercalation mechanism has been identified. First, LEED patterns reveal the pseudomorphic growth of Cu on Ir under the topmost graphene layer resulting in a large Cu in-plane lattice parameter expansion of about 6% compared to Cu(111). Second, large-scale STM topographs as a function of Cu coverage show that Cu diffusion on Ir below graphene exhibits a low energy barrier resulting in Cu accumulation at Ir step edges. As a result, the graphene sheet undergoes a strong edges reshaping. Finally, atomically-resolved STM images reveal a damaged graphene sheet at the atomic scale after metal intercalation. Point defects in graphene were shown to be carbon vacancies. According to these results, a Cu penetration path beneath graphene is proposed to occur via metal aided defect formation with no or poor self healing of the graphene sheet. This work illustrates the fact that Cu intercalation is harmful for graphene grown on Ir(111) at the atomic scale.

  12. The effect of hydrazine intercalation on the structure and capacitance of 2D titanium carbide (MXene)

    NASA Astrophysics Data System (ADS)

    Mashtalir, O.; Lukatskaya, M. R.; Kolesnikov, A. I.; Raymundo-Piñero, E.; Naguib, M.; Barsoum, M. W.; Gogotsi, Y.

    2016-04-01

    Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. The hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g-1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. The hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g-1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm. Electronic supplementary information (ESI) available: Characterization methods, additional XRD patterns (Fig. S1) and INS spectra (Fig. S2-S4). See DOI: 10.1039/c6nr01462c

  13. Impact of Infralimbic Inputs on Intercalated Amygdale Neurons: A Biophysical Modeling Study

    ERIC Educational Resources Information Center

    Li, Guoshi; Amano, Taiju; Pare, Denis; Nair, Satish S.

    2011-01-01

    Intercalated (ITC) amygdala neurons regulate fear expression by controlling impulse traffic between the input (basolateral amygdala; BLA) and output (central nucleus; Ce) stations of the amygdala for conditioned fear responses. Previously, stimulation of the infralimbic (IL) cortex was found to reduce fear expression and the responsiveness of Ce…

  14. Standard Model for Superconductivity in Graphite Intercalation Compounds: Prediction of Optimum Tc

    NASA Astrophysics Data System (ADS)

    Takada, Yasutami

    2009-03-01

    Based on the model that was successfully applied to the explanation of superconductivity with the transition temperature Tc of about 0.1K or less in the alkali- intercalated graphite compounds such as KC8, RbC8, and CsC8 in 1982 [Y. Takada, J. Phys. Soc. Jpn. 51, 63 (1982) ], we have calculated Tc for the alkaline-earth- intercalated graphite compounds including CaC6, YbC6, and SrC6 with Tc of about 10K or less to find that the same model reproduces the observed Tc in those compounds as well, indicating that it is a standard model for superconductivity in the graphite intercalation compounds with Tc ranging over three orders of magnitude. The difference in Tc by two orders between KC8 and CaC6 can be accounted for by (i) doubling Z the valency of the metal ions, which enhances Tc by one order, and (ii) tripling m^* the effective mass of the superconducting three-dimensional electrons in the interlayer band, which also enhances Tc by one order. Enhancement of Tc well beyond 10 K is also predicted in this model, if intercalant metals are judiciously chosen so that both Z and m^* are increased further.

  15. Combination probes with intercalating anchors and proximal fluorophores for DNA and RNA detection

    PubMed Central

    Qiu, Jieqiong; Wilson, Adam; El-Sagheer, Afaf H.; Brown, Tom

    2016-01-01

    A new class of modified oligonucleotides (combination probes) has been designed and synthesised for use in genetic analysis and RNA detection. Their chemical structure combines an intercalating anchor with a reporter fluorophore on the same thymine nucleobase. The intercalator (thiazole orange or benzothiazole orange) provides an anchor, which upon hybridisation of the probe to its target becomes fluorescent and simultaneously stabilizes the duplex. The anchor is able to communicate via FRET to a proximal reporter dye (e.g. ROX, HEX, ATTO647N, FAM) whose fluorescence signal can be monitored on a range of analytical devices. Direct excitation of the reporter dye provides an alternative signalling mechanism. In both signalling modes, fluorescence in the unhybridised probe is switched off by collisional quenching between adjacent intercalator and reporter dyes. Single nucleotide polymorphisms in DNA and RNA targets are identified by differences in the duplex melting temperature, and the use of short hybridization probes, made possible by the stabilisation provided by the intercalator, enhances mismatch discrimination. Unlike other fluorogenic probe systems, placing the fluorophore and quencher on the same nucleobase facilitates the design of short probes containing multiple modifications. The ability to detect both DNA and RNA sequences suggests applications in cellular imaging and diagnostics. PMID:27369379

  16. Functional binders for reversible lithium intercalation into graphite in propylene carbonate and ionic liquid media

    NASA Astrophysics Data System (ADS)

    Komaba, Shinichi; Yabuuchi, Naoaki; Ozeki, Tomoaki; Okushi, Koji; Yui, Hiroharu; Konno, Kozo; Katayama, Yasushi; Miura, Takashi

    Poly(acrylic acid) (PAA), poly(methacrylic acid) (PMA), and poly(vinyl alcohol) (PVA), which have oxygen species as functional groups, were utilized as a binder for graphite electrodes, and the electrochemical reversibility of lithium intercalation was examined in PC medium and ionic liquid electrolyte, lithium bis(trifluoromethanesulfonyl)amide dissolved in 1-butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)amide (BMP-TFSA). Columbic efficiency of 75-80% with more than 300 mAh g -1 was achieved upon first reduction/oxidation cycle in both electrolytes using these binding polymers, which were significantly improved in comparison to a conventional PVdF binder (less than 45% of columbic efficiency for the first cycle). For the graphite-PVdF electrode, co-intercalation and/or decomposition of PC molecules solvating to Li ions were observed by the electrochemical reduction, resulting in the cracking of graphite particles. In contrast, the co-intercalation and decomposition of PC molecules and BMP cations for the first reduction process were completely suppressed for the graphite electrodes prepared with the polymers containing oxygen atoms. It was proposed that the selective permeability of lithium ions was attained by the uniform coating of the graphite particles with PAA, PMA, and PVA polymers, because the electrostatic interaction between the positively charged lithium ions and negatively charged oxygen atom in the polymer should modulate the desolvation process of lithium ions during the lithium intercalation into graphite, showing the similar functions like artificial solid-electrolyte interphase.

  17. Temperature dependent local atomic displacements in ammonia intercalated iron selenide superconductor.

    PubMed

    Paris, E; Simonelli, L; Wakita, T; Marini, C; Lee, J-H; Olszewski, W; Terashima, K; Kakuto, T; Nishimoto, N; Kimura, T; Kudo, K; Kambe, T; Nohara, M; Yokoya, T; Saini, N L

    2016-01-01

    Recently, ammonia-thermal reaction has been used for molecular intercalation in layered FeSe, resulting a new Lix(NH3)yFe2Se2 superconductor with Tc ~ 45 K. Here, we have used temperature dependent extended x-ray absorption fine structure (EXAFS) to investigate local atomic displacements in single crystals of this new superconductor. Using polarized EXAFS at Fe K-edge we have obtained direct information on the local Fe-Se and Fe-Fe bondlengths and corresponding mean square relative displacements (MSRD). We find that the Se-height in the intercalated system is lower than the one in the binary FeSe, suggesting compressed FeSe4 tetrahedron in the title system. Incidentally, there is hardly any effect of the intercalation on the bondlengths characteristics, revealed by the Einstein temperatures, that are similar to those found in the binary FeSe. Therefore, the molecular intercalation induces an effective compression and decouples the FeSe slabs. Furthermore, the results reveal an anomalous change in the atomic correlations across Tc, appearing as a clear decrease in the MSRD, indicating hardening of the local lattice mode. Similar response of the local lattice has been found in other families of superconductors, e.g., A15-type and cuprates superconductors. This observation suggests that local atomic correlations should have some direct correlation with the superconductivity. PMID:27276997

  18. Structure and magnetism of cobalt intercalated graphene/Ir(111) via spin-polarized STM

    NASA Astrophysics Data System (ADS)

    Decker, Regis; Brede, Jens; Atodiresei, Nicolae; Caciuc, Vasile; Bluegel, Stefan; Wiesendanger, Roland

    2013-03-01

    The presence of intercalation compounds in graphite, i.e. impurities or layer(s) trapped between carbon sheets, can lead to changes in the transport, optical and catalytic properties compared to bulk graphite, or even superconductivity. Here, we present the local structure and magnetic properties of graphene on a magnetic substrate, resolved by spin-polarized STM. The magnetic substrate is obtained by the intercalation of a cobalt layer between graphene and an Ir(111) surface. The atomic structure of the graphene layer is dominated by a highly corrugated Moiré pattern, which arises due to the incommensurability and/or twisting angle of the graphene lattice and the Co/Ir(111) surface. Within the Moiré unit cell three different regions, i.e. top, fcc, and hcp regions are identified. Interestingly, these regions show very different electronic and magnetic signatures in the experiments, defining an atomic-scale magnetic Moiré pattern. The observed spin polarization is compared to density functional theory calculations. The calculations reveal that the bonding between the graphene layer and intercalated Co layer varies from weak to strong within the Moiré unit cell. Moreover, the interaction between the graphene and the intercalated cobalt layer leads to a spin dependent charge rearrangement, which induces magnetism in graphene as observed in experiment.

  19. Combination probes with intercalating anchors and proximal fluorophores for DNA and RNA detection.

    PubMed

    Qiu, Jieqiong; Wilson, Adam; El-Sagheer, Afaf H; Brown, Tom

    2016-09-30

    A new class of modified oligonucleotides (combination probes) has been designed and synthesised for use in genetic analysis and RNA detection. Their chemical structure combines an intercalating anchor with a reporter fluorophore on the same thymine nucleobase. The intercalator (thiazole orange or benzothiazole orange) provides an anchor, which upon hybridisation of the probe to its target becomes fluorescent and simultaneously stabilizes the duplex. The anchor is able to communicate via FRET to a proximal reporter dye (e.g. ROX, HEX, ATTO647N, FAM) whose fluorescence signal can be monitored on a range of analytical devices. Direct excitation of the reporter dye provides an alternative signalling mechanism. In both signalling modes, fluorescence in the unhybridised probe is switched off by collisional quenching between adjacent intercalator and reporter dyes. Single nucleotide polymorphisms in DNA and RNA targets are identified by differences in the duplex melting temperature, and the use of short hybridization probes, made possible by the stabilisation provided by the intercalator, enhances mismatch discrimination. Unlike other fluorogenic probe systems, placing the fluorophore and quencher on the same nucleobase facilitates the design of short probes containing multiple modifications. The ability to detect both DNA and RNA sequences suggests applications in cellular imaging and diagnostics. PMID:27369379

  20. Temperature dependent local atomic displacements in ammonia intercalated iron selenide superconductor.

    PubMed

    Paris, E; Simonelli, L; Wakita, T; Marini, C; Lee, J-H; Olszewski, W; Terashima, K; Kakuto, T; Nishimoto, N; Kimura, T; Kudo, K; Kambe, T; Nohara, M; Yokoya, T; Saini, N L

    2016-01-01

    Recently, ammonia-thermal reaction has been used for molecular intercalation in layered FeSe, resulting a new Lix(NH3)yFe2Se2 superconductor with Tc ~ 45 K. Here, we have used temperature dependent extended x-ray absorption fine structure (EXAFS) to investigate local atomic displacements in single crystals of this new superconductor. Using polarized EXAFS at Fe K-edge we have obtained direct information on the local Fe-Se and Fe-Fe bondlengths and corresponding mean square relative displacements (MSRD). We find that the Se-height in the intercalated system is lower than the one in the binary FeSe, suggesting compressed FeSe4 tetrahedron in the title system. Incidentally, there is hardly any effect of the intercalation on the bondlengths characteristics, revealed by the Einstein temperatures, that are similar to those found in the binary FeSe. Therefore, the molecular intercalation induces an effective compression and decouples the FeSe slabs. Furthermore, the results reveal an anomalous change in the atomic correlations across Tc, appearing as a clear decrease in the MSRD, indicating hardening of the local lattice mode. Similar response of the local lattice has been found in other families of superconductors, e.g., A15-type and cuprates superconductors. This observation suggests that local atomic correlations should have some direct correlation with the superconductivity.

  1. Atomic-scale recognition of surface structure and intercalation mechanism of Ti3C2X.

    PubMed

    Wang, Xuefeng; Shen, Xi; Gao, Yurui; Wang, Zhaoxiang; Yu, Richeng; Chen, Liquan

    2015-02-25

    MXenes represent a large family of functionalized two-dimensional (2D) transition-metal carbides and carbonitrides. However, most of the understanding on their unique structures and applications stops at the theoretical suggestion and lack of experimental support. Herein, the surface structure and intercalation chemistry of Ti3C2X are clarified at the atomic scale by aberration-corrected scanning transmission electron microscope (STEM) and density functional theory (DFT) calculations. The STEM studies show that the functional groups (e.g., OH(-), F(-), O(-)) and the intercalated sodium (Na) ions prefer to stay on the top sites of the centro-Ti atoms and the C atoms of the Ti3C2 monolayer, respectively. Double Na-atomic layers are found within the Ti3C2X interlayer upon extensive Na intercalation via two-phase transition and solid-solution reactions. In addition, aluminum (Al)-ion intercalation leads to horizontal sliding of the Ti3C2X monolayer. On the basis of these observations, the previous monolayer surface model of Ti3C2X is modified. DFT calculations using the new modeling help to understand more about their physical and chemical properties. These findings enrich the understanding of the MXenes and shed light on future material design and applications. Moreover, the Ti3C2X exhibits prominent rate performance and long-term cycling stability as an anode material for Na-ion batteries. PMID:25688582

  2. Factors controlling the CO intercalation of h-BN overlayers on Ru(0001).

    PubMed

    Dong, Aiyi; Fu, Qiang; Wu, Hao; Wei, Mingming; Bao, Xinhe

    2016-09-21

    The space between a two-dimensional (2D) material overlayer and a metal surface can be regarded as a nanoreactor, in which molecule adsorption and surface reaction may occur. In this work, we present CO intercalation under a hexagonal boron nitride (h-BN) overlayer on Ru(0001) at room temperature, observed using X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and scanning tunneling microscopy. Critical factors influencing the interfacial process have been investigated, including CO partial pressure, h-BN coverage, and oxygen pre-adsorption on the Ru surface. It has been identified that CO adsorption on the bare Ru surface region plays an important role in CO intercalation. Comparative studies of CO intercalation at h-BN/Ru(0001) and graphene/Ru(0001) interfaces indicate that CO starts to intercalate h-BN overlayers more easily than graphene. Temperature-programmed CO desorption experiments from h-BN/CO/Ru(0001) and graphene/CO/Ru(0001) surfaces reveal a similar confinement effect of the 2D cover on CO adsorption, which results in a more abrupt and quick CO desorption in comparison with the CO/Ru(0001) surface. PMID:27530273

  3. Photoexcited triplet state provides a quantitative measure of intercalating drug-DNA binding energies

    NASA Astrophysics Data System (ADS)

    Maki, August H.; Alfredson, T. V.; Waring, M. J.

    1992-04-01

    A linear correlation between spectroscopic and thermodynamic properties of systems is rarely encountered. In triplet state ODMR studies of various DNA complexes of echinomycin, a quinoxaline-containing cyclic depsipeptide bis-intercalating antibiotic, and its biosynthesized quinoline analogs, such correlations are observed. The zero field splitting D-parameter of the intercalated quinoxaline or quinoline residue varies linearly with the free energy of drug-DNA complexing. From previous work, the DNA sequence specificity of echinomycin analogs is known to be influenced by the identity of the intercalating residue (e.g., quinoxaline vs. quinoline). The present results strongly suggest that the DNA sequence-specificity of these drugs is controlled largely by the intercalated residue, and that the energetics of the peptide- DNA interaction, although considerable, are relatively sequence independent. These conclusions run counter to the generally accepted idea that DNA recognition by sequence- seeking proteins is controlled by specific hydrogen bonding interactions. The high degree of N-methylation of the echinomycin peptide portion severely restricts these interactions, however. A simple theoretical model is presented to support the experimentally observed linear correlation between (Delta) D and (Delta) G.

  4. Hydrotalcite Intercalated siRNA: Computational Characterization of the Interlayer Environment

    PubMed Central

    Zhang, Hong; Ouyang, Defang; Murthy, Vinuthaa; Wong, Yunyi; Xu, Zhiping; Smith, Sean C.

    2012-01-01

    Using molecular dynamics (MD) simulations, we explore the structural and dynamical properties of siRNA within the intercalated environment of a Mg:Al 2:1 Layered Double Hydroxide (LDH) nanoparticle. An ab initio force field (Condensed-phase Optimized Molecular Potentials for Atomistic Simulation Studies: COMPASS) is used for the MD simulations of the hybrid organic-inorganic systems. The structure, arrangement, mobility, close contacts and hydrogen bonds associated with the intercalated RNA are examined and contrasted with those of the isolated RNA. Computed powder X-ray diffraction patterns are also compared with related LDH-DNA experiments. As a method of probing whether the intercalated environment approximates the crystalline or rather the aqueous state, we explore the stability of the principle parameters (e.g., the major groove width) that differentiate both A- and A'- crystalline forms of siRNA and contrast this with recent findings for the same siRNA simulated in water. We find the crystalline forms remain structurally distinct when intercalated, whereas this is not the case in water. Implications for the stability of hybrid LDH-RNA systems are discussed. PMID:24300233

  5. Engineering nanostructures and surface chemistry of efficient lithium ion intercalation electrodes

    NASA Astrophysics Data System (ADS)

    Liu, Dawei

    Lithium ion batteries have been one of the major power supplies for small electronic devices since last century. However, with the rapid advancement of electronics and the increasing demand for clean sustainable energy, newer lithium ion batteries with higher energy density, higher power density, and better cyclic stability are needed. In addition, newer generation of lithium ion batteries must meet the requirements of low and easy fabrication cost and free of toxic materials. Nanostructured electrodes are seemingly the most promising candidate for future lithium ion batteries. In our experiments, mesoporous MnO2 nanowall arrays were fabricated through water electrolysis induced precipitation. Thus-fabricated arrays delivered capacities upto 256 mAhg-1, nearly double the theoretical value of 140 mAhg -1 from bulk MnO2. Modification of nanostructured electrode surface chemistry was found to contribute to lithium ion intercalation rate capability. Anodized TiO2 nanotube arrays after annealing in CO at 400°C, with TiC and Ti3+ species present on the surface, exhibited a much enhanced rate capability as compared with arrays without noticeable surface defects. Manipulating the crystallinity of electrodes could be another method to improve the intercalation capability. V2O5 xerogel films with less crystallized structure exhibited higher intercalation capacity and better cyclic stability than well crystallized counterpart. Materials possessing nanostructures, surface and bulk defects and in poor crystallinity or amorphous state are all away from equilibrium state. The electrodes away from equilibrium state have demonstrated favorable lithium ion intercalation properties. The contribution of non-equilibrium state lies in three aspects: (1) enhancing the storage capacity by shifting the phase transition boundary; (2) improving the rate capability by introducing fast mass and charge transport path; and (3) allowing longer cyclic stability by permitting more freedom for

  6. Intercalation of alcohols methanol, ethanol and isopropanol into fullerene C 60 lattice

    NASA Astrophysics Data System (ADS)

    Vojinovic-Miloradov, Mirjana; Lazar, Dusan; Djordjevic, Aleksandar; Adamov, Jasna; Milic-Djordjevic, Vukosava; Vujic, Djura; Odavic-Josic, Jelica; Koruga, Djuro

    1998-11-01

    New non-covalent intermolecular fullerene system containing discrete C 60 and alcohol molecules have been prepared from the saturated solutions of fullerene in toluene with ethanol, methanol and isopropanol. The formation of intercalates with alcohols R-OH⊂C 60 (R=C 1-C 3) has not been described in the literature yet. Pure intercalates R-OH⊂C 60 were obtained in the direct synthesis of C 60 in toluene with R-OH (methanol, ethanol and isopropanol). UV and IR spectra of C 2H 5-OH⊂C 60 and C 3H 7-OH⊂C 60 showed no change compared to the pristine C 60. However, IR spectrum of the methanol intercalate contains additional peaks at 2920 and 3400 cm -1. There has also been no change in their diffraction images concerning the d-values (the diffractograms of powder), indicating that the compounds are isostructural with C 60. The appearance of a very intensive d 101 peak in the powder diffractogram of the methanol derivative indicates that stacking disorder is probably eliminated, which can be correlated to the additional bands in IR spectrum. Intermolecular interactions (of the type that exists in supramolecular systems) between C 60 and alcohol molecules C 1-C 3 exist because of the specific energy surfaces of C 60 molecule (the consequence of its electronic, vibrational and rotational properties) and the size, inductive, spatial and geometrical characteristics of intercalants (alcohols). The size and shape of the alcohols which form intercalates with C 60 is such that they nicely fit within the intermolecular distances of C 60 molecules (0.293 nm) in a hexagonal lattice.

  7. Simulated structural and magnetic behavior of Mn-Ti intercalated dichalcogenide crystals.

    PubMed

    Roth, M W; Wandling, B; Kidd, T E; Shand, P M; Stollenwerk, A

    2016-05-11

    We present the results of extensive Monte Carlo simulations of intercalated manganese-titanium (Mn-Ti) layered TiS2 crystals. The computational model involves mixtures of Mn and Ti in various percentages placed on a triangular lattice with fixed lattice sites and up to five layers. The range of concentrations of intercalated Mn studied was 5%  ⩽  X Mn  ⩽  33% and for Ti, 0%  ⩽  X Ti  ⩽  15%, where X A denotes the percentage of the total number of lattice sites occupied by species A. The species are allowed to interact spatially through a screened Coulomb potential and magnetically with external and RKKY field terms. Structurally, the pure Mn systems present as disordered at very low densities and evolve through a 2  ×  2 structure (perfect at X Mn  =  25%) up to a [Formula: see text]  ×  [Formula: see text] lattice (perfect at X Mn  =  33%), with variations of the two 'perfect' lattice structures depending on density. Changes in density for pure Mn systems as well as those intercalated with both Mn and Ti dramatically affects the system's structural and magnetic properties, and the magnetic behavior of various morphological features present in the system are discussed. The RKKY interaction is adjusted based on the intercalant compositions and is very sensitive to structural variations in the intercalant layers. The composition ranges studied here encompass and exceed those that are experimentally accessible, which helps place experimentally relevant densities in perspective. PMID:27058645

  8. Simulated structural and magnetic behavior of Mn-Ti intercalated dichalcogenide crystals

    NASA Astrophysics Data System (ADS)

    Roth, M. W.; Wandling, B.; Kidd, T. E.; Shand, P. M.; Stollenwerk, A.

    2016-05-01

    We present the results of extensive Monte Carlo simulations of intercalated manganese-titanium (Mn-Ti) layered TiS2 crystals. The computational model involves mixtures of Mn and Ti in various percentages placed on a triangular lattice with fixed lattice sites and up to five layers. The range of concentrations of intercalated Mn studied was 5%  ⩽  X Mn  ⩽  33% and for Ti, 0%  ⩽  X Ti  ⩽  15%, where X A denotes the percentage of the total number of lattice sites occupied by species A. The species are allowed to interact spatially through a screened Coulomb potential and magnetically with external and RKKY field terms. Structurally, the pure Mn systems present as disordered at very low densities and evolve through a 2  ×  2 structure (perfect at X Mn  =  25%) up to a \\sqrt{3}   ×  \\sqrt{3} lattice (perfect at X Mn  =  33%), with variations of the two ‘perfect’ lattice structures depending on density. Changes in density for pure Mn systems as well as those intercalated with both Mn and Ti dramatically affects the system’s structural and magnetic properties, and the magnetic behavior of various morphological features present in the system are discussed. The RKKY interaction is adjusted based on the intercalant compositions and is very sensitive to structural variations in the intercalant layers. The composition ranges studied here encompass and exceed those that are experimentally accessible, which helps place experimentally relevant densities in perspective.

  9. Simulated structural and magnetic behavior of Mn-Ti intercalated dichalcogenide crystals.

    PubMed

    Roth, M W; Wandling, B; Kidd, T E; Shand, P M; Stollenwerk, A

    2016-05-11

    We present the results of extensive Monte Carlo simulations of intercalated manganese-titanium (Mn-Ti) layered TiS2 crystals. The computational model involves mixtures of Mn and Ti in various percentages placed on a triangular lattice with fixed lattice sites and up to five layers. The range of concentrations of intercalated Mn studied was 5%  ⩽  X Mn  ⩽  33% and for Ti, 0%  ⩽  X Ti  ⩽  15%, where X A denotes the percentage of the total number of lattice sites occupied by species A. The species are allowed to interact spatially through a screened Coulomb potential and magnetically with external and RKKY field terms. Structurally, the pure Mn systems present as disordered at very low densities and evolve through a 2  ×  2 structure (perfect at X Mn  =  25%) up to a [Formula: see text]  ×  [Formula: see text] lattice (perfect at X Mn  =  33%), with variations of the two 'perfect' lattice structures depending on density. Changes in density for pure Mn systems as well as those intercalated with both Mn and Ti dramatically affects the system's structural and magnetic properties, and the magnetic behavior of various morphological features present in the system are discussed. The RKKY interaction is adjusted based on the intercalant compositions and is very sensitive to structural variations in the intercalant layers. The composition ranges studied here encompass and exceed those that are experimentally accessible, which helps place experimentally relevant densities in perspective.

  10. Discovery Education: A Definition.

    ERIC Educational Resources Information Center

    Wilson, Harold C.

    2002-01-01

    Discovery Education is based on the writings of Henry David Thoreau, an early champion of experiential learning. After 2 months of preparation, 10th-grade students spent 4 days in the wilderness reenacting a piece of history, such as the Lewis and Clark Expedition. The interdisciplinary approach always included journal-writing. Students gained…

  11. Interoperability and information discovery

    USGS Publications Warehouse

    Christian, E.

    2001-01-01

    In the context of information systems, there is interoperability when the distinctions between separate information systems are not a barrier to accomplishing a task that spans those systems. Interoperability so defined implies that there are commonalities among the systems involved and that one can exploit such commonalities to achieve interoperability. The challenge of a particular interoperability task is to identify relevant commonalities among the systems involved and to devise mechanisms that exploit those commonalities. The present paper focuses on the particular interoperability task of information discovery. The Global Information Locator Service (GILS) is described as a policy, standards, and technology framework for addressing interoperable information discovery on a global and long-term basis. While there are many mechanisms for people to discover and use all manner of data and information resources, GILS initiatives exploit certain key commonalities that seem to be sufficient to realize useful information discovery interoperability at a global, long-term scale. This paper describes ten of the specific commonalities that are key to GILS initiatives. It presents some of the practical implications for organizations in various roles: content provider, system engineer, intermediary, and searcher. The paper also provides examples of interoperable information discovery as deployed using GILS in four types of information communities: bibliographic, geographic, environmental, and government.

  12. The Discovery Way

    ERIC Educational Resources Information Center

    Hamlin, Theresa

    2005-01-01

    At the Center for Discovery (The Center), a private, non-profit agency 80 miles northwest of New York City in the Catskill Mountains, children are growing and learning at their own pace, in their own way, with careful attention focused on communication and social/emotional development. Children with autism are being educated to be social beings,…

  13. The Discovery of America

    ERIC Educational Resources Information Center

    Martin, Paul S.

    1973-01-01

    Discusses a model for explaining the spread of human population explosion on North American continent since its discovery 12,000 years ago. The model may help to map the spread of Homo sapiens throughout the New World by using the extinction chronology of the Pleistocene megafauna. (Author/PS)

  14. Birds. Nature Discovery I.

    ERIC Educational Resources Information Center

    Stone, Sally F.

    The birds of New England and their particular habitats are explored in this guide which is part of a series of Nature Discovery publications. The materials are designed to directly supplement the natural science curricula and to complement other subject areas including social studies, language arts, music, and art. The program is designed for…

  15. Knowledge Discovery in Databases.

    ERIC Educational Resources Information Center

    Norton, M. Jay

    1999-01-01

    Knowledge discovery in databases (KDD) revolves around the investigation and creation of knowledge, processes, algorithms, and mechanisms for retrieving knowledge from data collections. The article is an introductory overview of KDD. The rationale and environment of its development and applications are discussed. Issues related to database design…

  16. Motivation through Discovery.

    ERIC Educational Resources Information Center

    London, Marilyn

    1984-01-01

    Music motivator projects that enable the elementary teacher to use social science methods (known as ethnomethodology) to observe and learn about students without testing are described. Working in groups and guiding each other, students compose a musical composition and then notate it. Discovery learning is encouraged. (RM)

  17. Scientific Discovery for All

    ERIC Educational Resources Information Center

    Zaikowski, Lori; Lichtman, Paul; Quarless, Duncan

    2007-01-01

    The scientific discovery process comes alive for 70 minority students each year at Uniondale High School in New York where students have won top awards for "in-house" projects. Uniondale High School is in a middle-income school district where over 95% of students are from minority groups. Founded in 2000, the Uniondale High School Research Program…

  18. Ayurvedic drug discovery.

    PubMed

    Balachandran, Premalatha; Govindarajan, Rajgopal

    2007-12-01

    Ayurveda is a major traditional system of Indian medicine that is still being successfully used in many countries. Recapitulation and adaptation of the older science to modern drug discovery processes can bring renewed interest to the pharmaceutical world and offer unique therapeutic solutions for a wide range of human disorders. Eventhough time-tested evidences vouch immense therapeutic benefits for ayurvedic herbs and formulations, several important issues are required to be resolved for successful implementation of ayurvedic principles to present drug discovery methodologies. Additionally, clinical examination in the extent of efficacy, safety and drug interactions of newly developed ayurvedic drugs and formulations are required to be carefully evaluated. Ayurvedic experts suggest a reverse-pharmacology approach focusing on the potential targets for which ayurvedic herbs and herbal products could bring tremendous leads to ayurvedic drug discovery. Although several novel leads and drug molecules have already been discovered from ayurvedic medicinal herbs, further scientific explorations in this arena along with customization of present technologies to ayurvedic drug manufacturing principles would greatly facilitate a standardized ayurvedic drug discovery.

  19. MR1 discovery.

    PubMed

    Hashimoto, Keiichiro

    2016-08-01

    The moment of MR1 discovery is described. The MR1 gene is the first and the last reported human MHC-related gene intentionally isolated from the human genome composed of three billion base pairs. Evolutionary considerations formed the basis of its isolation. Some details surrounding the moment and some retrospective descriptions with various kinds of encounters are also included.

  20. New X-ray insight into oxygen intercalation in epitaxial graphene grown on 4H-SiC(0001)

    SciTech Connect

    Kowalski, G. Tokarczyk, M.; Dąbrowski, P.; Ciepielewski, P.; Możdżonek, M.; Strupiński, W.; Baranowski, J. M.

    2015-03-14

    Efficient control of intercalation of epitaxial graphene by specific elements is a way to change properties of the graphene. Results of several experimental techniques, such as X-ray photoelectron spectroscopy, micro-Raman mapping, reflectivity, attenuated total reflection, X-ray diffraction, and X-ray reflectometry, gave a new insight into the intercalation of oxygen in the epitaxial graphene grown on 4H-SiC(0001). These results confirmed that oxygen intercalation decouples the graphene buffer layer from the 4H-SiC surface and converts it into the graphene layer. However, in contrast to the hydrogen intercalation, oxygen does not intercalate between carbon planes (in the case of few layer graphene) and the interlayer spacing stays constant at the level of 3.35–3.32 Å. Moreover, X-ray reflectometry showed the presence of an oxide layer having the thickness of about 0.8 Å underneath the graphene layers. Apart from the formation of the nonuniform thin oxide layer, generation of defects in graphene caused by oxygen was also evidenced. Last but not least, water islands underneath defected graphene regions in both intercalated and non-intercalated samples were most probably revealed. These water islands are formed in the case of all the samples stored under ambient laboratory conditions. Water islands can be removed from underneath the few layer graphene stacks by relevant thermal treatment or by UV illumination.

  1. Charge Transfer in FeOCl Intercalation Compounds and its Pressure Dependence: An X-ray Spectroscopic Study

    SciTech Connect

    I Jarrige; Y Cai; S Shieh; H Ishii; N Hiraoka; S Karna; W Li

    2011-12-31

    We present a study of charge transfer in Na-intercalated FeOCl and polyaniline-intercalated FeOCl using high-resolution x-ray absorption spectroscopy and resonant x-ray emission spectroscopy at the Fe-K edge. By comparing the experimental data with ab initio simulations, we are able to unambiguously distinguish the spectral changes which appear due to intercalation into those of electronic origin and those of structural origin. For both systems, we find that about 25% of the Fe sites are reduced to Fe{sup 2+} via charge transfer between FeOCl and the intercalate. This is about twice as large as the Fe{sup 2+} fraction reported in studies using Moessbauer spectroscopy. This discrepancy is ascribed to the fact that the charge transfer occurs on the same time scale as the Moessbauer effect itself. Our result suggests that every intercalated atom or molecule is involved in the charge-transfer process, thus making this process a prerequisite for intercalation. The Fe{sup 2+} fraction is found to increase with pressure for polyaniline-FeOCl, hinting at an enhancement of the conductivity in the FeOCl intercalation compounds under pressure.

  2. Charge transfer in FeOCl intercalation compounds and its pressure dependence: An x-ray spectroscopic study

    SciTech Connect

    Jarrige, I.; Cai, Y. Q.; Shieh, S. R.; Ishii, H.; Hiraoka, N.; Karna, S.; Li, W.-H.

    2010-10-15

    We present a study of charge transfer in Na-intercalated FeOCl and polyaniline-intercalated FeOCl using high-resolution x-ray absorption spectroscopy and resonant x-ray emission spectroscopy at the Fe K edge. By comparing the experimental data with ab initio simulations, we are able to unambiguously distinguish the spectral changes which appear due to intercalation into those of electronic origin and those of structural origin. For both systems, we find that about 25% of the Fe sites are reduced to Fe{sup 2+} via charge transfer between FeOCl and the intercalate. This is about twice as large as the Fe{sup 2+} fraction reported in studies using Moessbauer spectroscopy. This discrepancy is ascribed to the fact that the charge transfer occurs on the same time scale as the Moessbauer effect itself. Our result suggests that every intercalated atom or molecule is involved in the charge-transfer process, thus making this process a prerequisite for intercalation. The Fe{sup 2+} fraction is found to increase with pressure for polyaniline-FeOCl, hinting at an enhancement of the conductivity in the FeOCl intercalation compounds under pressure.

  3. Electronic structures of an epitaxial graphene monolayer on SiC(0001) after metal intercalation (metal = Al, Ag, Au, Pt, and Pd): A first-principles study

    NASA Astrophysics Data System (ADS)

    Hsu, Chia-Hsiu; Lin, Wen-Huan; Ozolins, Vidvuds; Chuang, Feng-Chuan

    2012-02-01

    The atomic structures and electronic properties of metal-intercalated (metal = Al, Ag, Au, Pt, and Pd) graphene monolayers on SiC(0001) were investigated using first-principles calculations. The unique Dirac cone of graphene near the K point reappeared as the graphite layer was intercalated by these metals at a coverage of 3/8 ML. Furthermore, our results show that metal intercalation leads to n-type doping of graphene. The bands contributed from graphene exhibit small splitting after intercalation, whereas the bands contributed from the intercalated metal layer have significant Rashba spin-orbit splittings in all cases except Al.

  4. Environmentally benign graphite intercalation compound composition for exfoliated graphite, flexible graphite, and nano-scaled graphene platelets

    SciTech Connect

    Zhamu, Aruna; Jang, Bor Z.

    2014-06-17

    A carboxylic-intercalated graphite compound composition for the production of exfoliated graphite, flexible graphite, or nano-scaled graphene platelets. The composition comprises a layered graphite with interlayer spaces or interstices and a carboxylic acid residing in at least one of the interstices, wherein the composition is prepared by a chemical oxidation reaction which uses a combination of a carboxylic acid and hydrogen peroxide as an intercalate source. Alternatively, the composition may be prepared by an electrochemical reaction, which uses a carboxylic acid as both an electrolyte and an intercalate source. Exfoliation of the invented composition does not release undesirable chemical contaminants into air or drainage.

  5. Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces.

    PubMed

    Osti, Naresh C; Naguib, Michael; Ostadhossein, Alireza; Xie, Yu; Kent, Paul R C; Dyatkin, Boris; Rother, Gernot; Heller, William T; van Duin, Adri C T; Gogotsi, Yury; Mamontov, Eugene

    2016-04-13

    MXenes are a recently discovered class of 2D materials with an excellent potential for energy storage applications. Because MXene surfaces are hydrophilic and attractive interaction forces between the layers are relatively weak, water molecules can spontaneously intercalate at ambient humidity and significantly influence the key properties of this 2D material. Using complementary X-ray and neutron scattering techniques, we demonstrate that intercalation with potassium cations significantly improves structural homogeneity and water stability in MXenes. In agreement with molecular dynamics simulations, intercalated potassium ions reduce the water self-diffusion coefficient by 2 orders of magnitude, suggesting greater stability of hydrated MXene against changing environmental conditions. PMID:27010763

  6. Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces.

    PubMed

    Osti, Naresh C; Naguib, Michael; Ostadhossein, Alireza; Xie, Yu; Kent, Paul R C; Dyatkin, Boris; Rother, Gernot; Heller, William T; van Duin, Adri C T; Gogotsi, Yury; Mamontov, Eugene

    2016-04-13

    MXenes are a recently discovered class of 2D materials with an excellent potential for energy storage applications. Because MXene surfaces are hydrophilic and attractive interaction forces between the layers are relatively weak, water molecules can spontaneously intercalate at ambient humidity and significantly influence the key properties of this 2D material. Using complementary X-ray and neutron scattering techniques, we demonstrate that intercalation with potassium cations significantly improves structural homogeneity and water stability in MXenes. In agreement with molecular dynamics simulations, intercalated potassium ions reduce the water self-diffusion coefficient by 2 orders of magnitude, suggesting greater stability of hydrated MXene against changing environmental conditions.

  7. Recent Discoveries and Bible Translation.

    ERIC Educational Resources Information Center

    Harrelson, Walter

    1990-01-01

    Discusses recent discoveries for "Bible" translation with a focus on the "Dead Sea Scrolls." Examines recent discoveries that provide direct support for alternative reading of biblical passages and those discoveries that have contributed additional insight to knowledge of cultural practices, especially legal and religious practices. (DB)

  8. The Discovery Method in Training.

    ERIC Educational Resources Information Center

    Belbin, R. M.

    In the form of a discussion between faceless people, this booklet concerns discovery learning and its advantages. Subjects covered in the discussions are: Introducing the Discovery Method; An Experiment with British Railways; The OECD Research Projects in U.S.A., Austria, and Sweden; How the Discovery Method Differs from Other Methods; Discovery…

  9. Challenges of Antibacterial Discovery

    PubMed Central

    Silver, Lynn L.

    2011-01-01

    Summary: The discovery of novel small-molecule antibacterial drugs has been stalled for many years. The purpose of this review is to underscore and illustrate those scientific problems unique to the discovery and optimization of novel antibacterial agents that have adversely affected the output of the effort. The major challenges fall into two areas: (i) proper target selection, particularly the necessity of pursuing molecular targets that are not prone to rapid resistance development, and (ii) improvement of chemical libraries to overcome limitations of diversity, especially that which is necessary to overcome barriers to bacterial entry and proclivity to be effluxed, especially in Gram-negative organisms. Failure to address these problems has led to a great deal of misdirected effort. PMID:21233508

  10. [Halogens: discoveries of pharmacists].

    PubMed

    Rabiant, J

    2008-01-01

    The discovery of four halogens is due to pharmacists. Chlorine was isolated by Carl Wilhem Scheele, a Swedish who was first an assistant to a pharmacist, then a pharmacist himself. Bernard Courtois, a pharmacist under the First Empire, the son of a saltpetre worker isolated iodine in I811, after a modification of the ancestral production protocol of potassium nitrate, which is the major component of the gunpowder: he replaced wood ashes by varech ashes which are less expensive. Antoine Jerôme Balard was still an assistant in chemistry and physics when he discovered bromine in the residues of the salt marshes. He became soon after a pharmacist and started a famous career as then he became Professor in the College de France and General Inspector of Higher Education. The last halogen: fluorine was isolated by Henri Moissan who received the Nobel Prize of Chemistry. The discovery will be the subject of our next communication.

  11. Discovery concepts for Mars

    NASA Technical Reports Server (NTRS)

    Luhmann, J. G.; Russell, C. T.; Brace, L. H.; Nagy, A. F.; Jakosky, B. M.; Barth, C. A.; Waite, J. H.

    1992-01-01

    Two focused Mars missions that would fit within the guidelines for the proposed Discovery line are discussed. The first mission would deal with the issue of the escape of the atmosphere (Mars') to space. A complete understanding of this topic is crucial to deciphering the evolution of the atmosphere, climate change, and volatile inventories. The second mission concerns the investigation of remanent magnetization of the crust and its relationship to the ionosphere and the atmosphere.

  12. The discovery of quarks.

    PubMed

    Riordan, M

    1992-05-29

    Quarks are widely recognized today as being among the elementary particles of which matter is composed. The key evidence for their existence came from a series of inelastic electron-nucleon scattering experiments conducted between 1967 and 1973 at the Stanford Linear Accelerator Center. Other theoretical and experimental advances of the 1970s confirmed this discovery, leading to the present standard model of elementary particle physics.

  13. Discovery management workshop

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Two dozen participants assembled under the direction of the NASA Solar System Exploration Division (SEED) April 13-15, 1993. Participants supported the goals of cheaper and faster solar system exploration. The workshop concluded that the Discovery Program concept and goals are viable. Management concerns are articulated in the final report. Appendix A includes lists of participants in alphabetical order, by functional area, and by organization type. Appendix B includes the agenda for the meeting.

  14. Discovery with FAST

    NASA Astrophysics Data System (ADS)

    Wilkinson, P.

    2016-02-01

    FAST offers "transformational" performance well-suited to finding new phenomena - one of which might be polarised spectral transients. But discoveries will only be made if "the system" provides its users with the necessary opportunities. In addition to designing in as much observational flexibility as possible, FAST should be operated with a philosophy which maximises its "human bandwidth". This band includes the astronomers of tomorrow - many of whom not have yet started school or even been born.

  15. Discovery as a process

    SciTech Connect

    Loehle, C.

    1994-05-01

    The three great myths, which form a sort of triumvirate of misunderstanding, are the Eureka! myth, the hypothesis myth, and the measurement myth. These myths are prevalent among scientists as well as among observers of science. The Eureka! myth asserts that discovery occurs as a flash of insight, and as such is not subject to investigation. This leads to the perception that discovery or deriving a hypothesis is a moment or event rather than a process. Events are singular and not subject to description. The hypothesis myth asserts that proper science is motivated by testing hypotheses, and that if something is not experimentally testable then it is not scientific. This myth leads to absurd posturing by some workers conducting empirical descriptive studies, who dress up their study with a ``hypothesis`` to obtain funding or get it published. Methods papers are often rejected because they do not address a specific scientific problem. The fact is that many of the great breakthroughs in silence involve methods and not hypotheses or arise from largely descriptive studies. Those captured by this myth also try to block funding for those developing methods. The third myth is the measurement myth, which holds that determining what to measure is straightforward, so one doesn`t need a lot of introspection to do science. As one ecologist put it to me ``Don`t give me any of that philosophy junk, just let me out in the field. I know what to measure.`` These myths lead to difficulties for scientists who must face peer review to obtain funding and to get published. These myths also inhibit the study of science as a process. Finally, these myths inhibit creativity and suppress innovation. In this paper I first explore these myths in more detail and then propose a new model of discovery that opens the supposedly miraculous process of discovery to doser scrutiny.

  16. The language of discovery

    PubMed Central

    Souba, Wiley

    2011-01-01

    Discovery, as a public attribution, and discovering, the act of conducting research, are experiences that entail “languaging” the unknown. This distinguishing property of language ‐ its ability to bring forth, out of the unspoken realm, new knowledge, original ideas, and novel thinking – is essential to the discovery process. In sharing their ideas and views, scientists create co‐negotiated linguistic distinctions that prompt the revision of established mental maps and the adoption of new ones. While scientific mastery entails command of the conversational domain unique to a specific discipline, there is an emerging conversational domain that must be mastered that goes beyond the language unique to any particular specialty. Mastery of this new conversational domain gives researchers access to their hidden mental maps that limit their ways of thinking about and doing science. The most effective scientists use language to recontextualize their approach to problem‐solving, which triggers new insights (previously unavailable) that result in new discoveries. While language is not a replacement for intuition and other means of knowing, when we try to understand what’s outside of language we have to use language to do so. PMID:21688238

  17. The discovery of stapes.

    PubMed

    Dispenza, F; Cappello, F; Kulamarva, G; De Stefano, A

    2013-10-01

    Giovanni Filippo Ingrassia revisited and redefined some of Galeno's reports, and was recognized as one of the leading Italian Physicians of the 16th century. Ingrassia principally studied the skull, and gave very important contributions to otorhinolaryngology, including the discovery of the stapes. He also isolated the inferior nasal concha from the maxillary bone, described the frontal sinus, the pterygopalatine fossa and several foramina of the skull. Ingrassia firstly attributed a sensorial function to the middle ear bones, which he called fifth particular function. He also added some details to the description of the VIII cranial nerve, which introduces the concept of bone conducting sound. The most important discovery in Ingrassia's study about the hearing organ was the first description of the third bone of the ossicular chain that he called "stapes". Ingrassia should thus be reconsidered under a new light for his important discovery and for his intuitions about the stapes and its role in hearing. It is appropriate for a Sicilian physician to be placed at his rightful place side-by-side with Eustachio and Valsalva in the history of otology.

  18. Li Intercalation in MoS2: In Situ Observation of Its Dynamics and Tuning Optical and Electrical Properties.

    PubMed

    Xiong, Feng; Wang, Haotian; Liu, Xiaoge; Sun, Jie; Brongersma, Mark; Pop, Eric; Cui, Yi

    2015-10-14

    Two-dimensional layered materials like MoS2 have shown promise for nanoelectronics and energy storage, both as monolayers and as bulk van der Waals crystals with tunable properties. Here we present a platform to tune the physical and chemical properties of nanoscale MoS2 by electrochemically inserting a foreign species (Li(+) ions) into their interlayer spacing. We discover substantial enhancement of light transmission (up to 90% in 4 nm thick lithiated MoS2) and electrical conductivity (more than 200×) in ultrathin (∼2-50 nm) MoS2 nanosheets after Li intercalation due to changes in band structure that reduce absorption upon intercalation and the injection of large amounts of free carriers. We also capture the first in situ optical observations of Li intercalation in MoS2 nanosheets, shedding light on the dynamics of the intercalation process and the associated spatial inhomogeneity and cycling-induced structural defects.

  19. In Situ Molecular Spectroscopic Evidence for CO2 Intercalation into Montmorillonite in Supercritical Carbon Dioxide

    SciTech Connect

    Loring, John S.; Schaef, Herbert T.; Turcu, Romulus VF; Thompson, Christopher J.; Miller, Quin RS; Martin, Paul F.; Hu, Jian Z.; Hoyt, David W.; Qafoku, Odeta; Ilton, Eugene S.; Felmy, Andrew R.; Rosso, Kevin M.

    2012-04-25

    The interaction of anhydrous supercritical CO2 (scCO2) with both kaolinite and ~1W (i.e. close to but less than one layer of hydration) calcium-saturated montmorillonite was investigated under conditions relevant to geologic carbon sequestration (50 °C and 90 bar). The CO2 molecular environment was probed in situ using a combination of three novel high-pressure techniques: X-ray diffraction, magic angle spinning nuclear magnetic resonance spectroscopy and attenuated total reflection infrared spectroscopy. We report the first direct evidence that the expansion of montmorillonite under scCO2 conditions is due to CO2 migration into the interlayer. Intercalated CO2 molecules are rotationally constrained and do not appear to react with waters to form bicarbonate or carbonic acid. In contrast, CO2 does not intercalate into kaolinite. The findings show that predicting the seal integrity of caprock will have complex dependence on clay mineralogy and hydration state.

  20. Methotrexate intercalated layered double hydroxides with the mediation of surfactants: Mechanism exploration and bioassay study.

    PubMed

    Dai, Chao-Fan; Tian, De-Ying; Li, Shu-Ping; Li, Xiao-Dong

    2015-12-01

    Methotrexatum intercalated layered double hydroxides (MTX/LDHs) hybrids were synthesized by the co-precipitation method and three kinds of nonionic surfactants with different hydrocarbon chain lengths were used. The resulting hybrids were then characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy and transmission electron microscopy (TEM). XRD and FTIR investigations manifest the successful intercalation of MTX anions into the interlayer of LDHs. TEM graphs indicate that the morphology of the hybrids changes with the variation of the chain length of the surfactants, i.e., the particles synthesized using polyethylene glycol (PEG-7) present regular disc morphology with good monodispersity, while samples with the mediation of alkyl polyglycoside (APG-14) are heavily aggregated and samples with the addition of polyvinylpyrrolidone (PVP-10) exhibit irregular branches. Furthermore, the release and bioassay experiments show that monodisperse MTX/LDHs present good controlled-release and are more efficient in the suppression of the tumor cells. PMID:26354264

  1. Left-right asymmetric cell intercalation drives directional collective cell movement in epithelial morphogenesis

    NASA Astrophysics Data System (ADS)

    Sato, Katsuhiko; Hiraiwa, Tetsuya; Maekawa, Emi; Isomura, Ayako; Shibata, Tatsuo; Kuranaga, Erina

    2015-12-01

    Morphogenetic epithelial movement occurs during embryogenesis and drives complex tissue formation. However, how epithelial cells coordinate their unidirectional movement while maintaining epithelial integrity is unclear. Here we propose a novel mechanism for collective epithelial cell movement based on Drosophila genitalia rotation, in which epithelial tissue rotates clockwise around the genitalia. We found that this cell movement occurs autonomously and requires myosin II. The moving cells exhibit repeated left-right-biased junction remodelling, while maintaining adhesion with their neighbours, in association with a polarized myosin II distribution. Reducing myosinID, known to cause counter-clockwise epithelial-tissue movement, reverses the myosin II distribution. Numerical simulations revealed that a left-right asymmetry in cell intercalation is sufficient to induce unidirectional cellular movement. The cellular movement direction is also associated with planar cell-shape chirality. These findings support a model in which left-right asymmetric cell intercalation within an epithelial sheet drives collective cellular movement in the same direction.

  2. A naproxen complex of dysprosium intercalates into calf thymus DNA base pairs

    NASA Astrophysics Data System (ADS)

    Yang, Mengsi; Jin, Jianhua; Xu, Guiqing; Cui, Fengling; Luo, Hongxia

    2014-01-01

    The binding mode and mechanism of dysprosium-naproxen complex (Dy-NAP) with calf thymus deoxyribonucleic acid (ctDNA) were studied using UV-vis and fluorescence spectra in physiological buffer (pH 7.4). The results showed that more than one type of quenching process occurred and the binding mode between Dy-NAP with ctDNA might be intercalation. In addition, ionic strength, iodide quenching and fluorescence polarization experiments corroborated the intercalation binding mode between Dy-NAP and ctDNA. The calculated thermodynamic parameters ΔG, ΔH and ΔS at different temperature demonstrated that hydrophobic interaction force played a major role in the binding process.

  3. Hybrid magnetic materials formed by ferritin intercalated into a layered double hydroxide

    NASA Astrophysics Data System (ADS)

    Clemente-León, Miguel; Coronado, Eugenio; Primo, Vicent; Ribera, Antonio; Soriano-Portillo, Alejandra

    2008-12-01

    A hybrid magnetic material formed by ferritin intercalated into a layered double hydroxide (LDH) of Mg and Al (Mg/Al molar ratio 2) is prepared and characterized through powder X-ray diffraction (XRD), thermogravimetric analysis (TGA), Fourier transform infrared (FT-IR) spectroscopy, electron probe microanalysis (EPMA) and high resolution transmission electron microscopy (HRTEM). One observes an enhancement in the thermal stability of the ferritin molecules when they are inserted in the layered material. Magnetic measurements of the hybrid material exhibit the typical superparamagnetic behaviour of the ferritin molecule. On the other hand, the intercalation of ferritin into the LDH guarantees a homogeneous dispersion of the ferritin molecules, which do not aggregate even after calcination of the sample. This feature allows obtaining well-dispersed magnetic metal oxide nanoparticles upon calcination of the hybrid material.

  4. Intercalation chemistry of cobalt and nickel dioxides: A facile route to new compounds containing organocations

    SciTech Connect

    Ramachandran, K.; Oriakhi, C.O.; Lerner, M.M.; Koch, V.R.

    1996-07-01

    A simple chemical method is reported for the intercalation of layered nickel or cobalt dioxide with organocations. Compounds containing anilinium, dodecyltrimethylammonium, octadecyltrimethylammonium, or distearyldimethylammonium cations are obtained by reaction of lithiated hosts with aqueous persulfate, followed by treatment with the desired organocation. Basal-repeat distances for the intercalated products indicate that the arrangements of organocations are similar to those seen with other layered hosts, with bilayers of alkylammonium ions, or a single layer of anilinium, in the pillared galleries. Thermogravimetric and elemental analyses are used to estimate compound stoichiometries, and indicate the partial exchange of organocation for lithium. The anilinium compound contains oligomeric cations, and is unstable when treated with polar solvents. Open circuit measurements indicate that the materials contain Co in an oxidation state of 3+ or higher.

  5. Electronic structure of intercalated graphite studied by soft-x-ray-emission spectroscopy

    NASA Astrophysics Data System (ADS)

    Gu, Guojiang; Schnatterly, S. E.

    1995-08-01

    Carbon K soft-x-ray-emission (SXE) spectra of highly ordered pyrolytic graphite (HOPG) and intercalated graphite with both donor (LiC6) and acceptor (FeCl3) doping are presented and compared. A numerical calculation using partially inverted initial states is carried out and models are constructed to fit these data using this method. It is shown that this approach is able to describe accurately the enhancement of the SXE spectrum near the Fermi energy for LiC6. In the case of graphite intercalated with FeCl3, the model also produces an enhanced Fermi edge while the data show no difference from the spectrum of HOPG. This aspect of the spectra of acceptor compounds is not at present understood.

  6. Optical and structural effects of aniline intercalation in PbI2

    NASA Astrophysics Data System (ADS)

    Mehrotra, Vivek; Lombardo, S.; Thompson, Michael O.; Giannelis, Emmanuel P.

    1991-09-01

    Aniline has been intercalated in lead iodide thin films by exposure to aniline vapors in an evacuated chamber. X-ray diffraction and Raman spectroscopy have confirmed the presence of aniline in the interlayer space of PbI2. Intercalation leads to an increase of 0.5 eV in the optical band gap. The large increase in the band gap can be modeled by computing changes in the band structure resulting from the electrostatic interaction of the -NH2 dipole of aniline with the iodine 5pz electron. This interaction lowers and flattens the valence band along the ΓA direction. The band-gap increase, calculated for various possible configurations of the aniline molecule, is in the range 0.35-0.57 eV.

  7. Synthesis and investigation of proton conductivity for intercalated kaolinite with 4-amidinopyridinium chloride

    NASA Astrophysics Data System (ADS)

    Ren, Li-Te; Li, Xiao-Pei; Liu, Jian-Lan; Ren, Xiao-Ming

    2015-12-01

    The proton-conducting materials have potential application in devices such as fuel cells. In this study, a mineral kaolinite-based proton conducting material, kaolinite-4-amidinopyridinium hydrochloride (K-4-APy-HCl), was synthesized by the intercalated compound kaolinite-4-amidinopyridine (K-4-APy) adsorbing volatilizing HCl. The thermogravimetric analysis (TG), powder X-ray diffraction (PXRD) and IR spectrum confirmed the HCl successfully inserting into the interlayer space of kaolinite and the 4-aminopyridine being protonated. The intercalation efficiency is estimated to be ca. 85.6%. With respect to K-4-APy, the interlayer space expends by 1.53 Å. The thermal decomposition mechanism was studied by PXRD and TG techniques. The K-4-APy-HCl shows proton conductivity with σ=3.379×10-8 S cm-1 at 373 K and Ea=1.159 eV in the anhydrous condition, which are comparable to MOFs-based proton conducting materials.

  8. Probing the recognition surface of a DNA triplex: binding studies with intercalator-neomycin conjugates.

    PubMed

    Xue, Liang; Xi, Hongjuan; Kumar, Sunil; Gray, David; Davis, Erik; Hamilton, Paris; Skriba, Michael; Arya, Dev P

    2010-07-01

    Thermodynamic studies on the interactions between intercalator-neomycin conjugates and a DNA polynucleotide triplex [poly(dA).2poly(dT)] were conducted. To draw a complete picture of such interactions, naphthalene diimide-neomycin (3) and anthraquinone-neomycin (4) conjugates were synthesized and used together with two other analogues, previously synthesized pyrene-neomycin (1) and BQQ-neomycin (2) conjugates, in our investigations. A combination of experiments, including UV denaturation, circular dichroism (CD) titration, differential scanning calorimetry (DSC), and isothermal titration calorimetry (ITC), revealed that all four conjugates (1-4) stabilized poly(dA).2poly(dT) much more than its parent compound, neomycin. UV melting experiments clearly showed that the temperature (T(m3-->2)) at which poly(dA).2poly(dT) dissociated into poly(dA).poly(dT) and poly(dT) increased dramatically (>12 degrees C) in the presence of intercalator-neomycin conjugates (1-4) even at a very low concentration (2 muM). In contrast to intercalator-neomycin conjugates, the increment of T(m3-->2) of poly(dA).2poly(dT) induced by neomycin was negligible under the same conditions. The binding preference of intercalator-neomycin conjugates (1-4) to poly(dA).2poly(dT) was also confirmed by competition dialysis and a fluorescent intercalator displacement assay. Circular dichroism titration studies revealed that compounds 1-4 had slightly larger binding site size ( approximately 7-7.5) with poly(dA).2poly(dT) as compared to neomycin ( approximately 6.5). The thermodynamic parameters of these intercalator-neomycin conjugates with poly(dA).2poly(dT) were derived from an integrated van't Hoff equation using the T(m3-->2) values, the binding site size numbers, and other parameters obtained from DSC and ITC. The binding affinity of all tested ligands with poly(dA).2poly(dT) increased in the following order: neomycin < 1 < 3 < 4 < 2. Among them, the binding constant [(2.7 +/- 0.3) x 10(8) M(-1)] of

  9. Intercalation of graphene on SiC(0001) via ion implantation

    NASA Astrophysics Data System (ADS)

    Stöhr, Alexander; Forti, Stiven; Link, Stefan; Zakharov, Alexei A.; Kern, Klaus; Starke, Ulrich; Benia, Hadj M.

    2016-08-01

    Electronic devices based on graphene technology are catching on rapidly and the ability to engineer graphene properties at the nanoscale is becoming, more than ever, indispensable. Here, we present a procedure of graphene functionalization on SiC(0001) that paves the way towards the fabrication of complex graphene electronic chips. The procedure resides on the well-known ion-implantation technique. The efficiency of the working principle is demonstrated by the intercalation of the epitaxial graphene layer on SiC(0001) with Bi atoms, which was not possible following standard procedures. The investigation of the obtained graphene system reveals no clear spin-orbit coupling enhancement expected by theory in addition to the presence of residual structural defects. Our graphene/SiC(0001) intercalation procedure puts forward the ion-beam lithography to nanostructure and functionalize desired graphene chips.

  10. Electrochemical transduction of DNA hybridization at modified electrodes by using an electroactive pyridoacridone intercalator.

    PubMed

    Bouffier, Laurent; Wang, Bingquan Stuart; Roget, André; Livache, Thierry; Demeunynck, Martine; Mailley, Pascal

    2014-02-01

    A synthetic redox probe structurally related to natural pyridoacridones was designed and electrochemically characterised. These heterocycles behave as DNA intercalators due to their extended planar structure that promotes stacking in between nucleic acid base pairs. Electrochemical characterization by cyclic voltammetry revealed a quasi-reversible electrochemical behaviour occurring at a mild negative potential in aqueous solution. The study of the mechanism showed that the iminoquinone redox moiety acts similarly to quinone involving a two-electron reduction coupled with proton transfer. The easily accessible potential region with respect to aqueous electro-inactive window makes the pyridoacridone ring suitable for the indirect electrochemical detection of chemically unlabelled DNA. Its usefulness as electrochemical hybridization indicator was assessed on immobilised DNA and compared to doxorubicin. The voltamperometric response of the intercalator acts as an indicator of the presence of double-stranded DNA at the electrode surface and allows the selective transduction of immobilised oligonucleotide hybridization at both macro- and microscale electrodes.

  11. Poly(styrene)/oligo(fluorene)-intercalated fluoromica hybrids: synthesis, characterization and self-assembly

    PubMed Central

    Porzio, William; Scavia, Guido; Barba, Luisa; Arrighetti, Gianmichele; Ricci, Giovanni; Botta, Chiara

    2014-01-01

    Summary We report on the intercalation of a cationic fluorescent oligo(fluorene) in between the 2D interlayer region of a fluoromica type silicate. The formation of intercalated structures with different fluorophore contents is observed in powders by synchrotron radiation XRD. Successively, the hybrids are dispersed in poly(styrene) through in situ polymerization. Such a procedure allows us to synthesize the materials from solution, to achieve solid films, and to characterize them by optical and morphologic techniques. The polymeric films with homogeneous distribution of the hybrids exhibit ultraviolet–blue photoluminescence with a significantly enhanced photostability compared to the bare oligo(fluorene)s. Finally, under specific conditions, the polymer hybrid with higher oligo(fluorene) content spontaneously assembles into highly ordered microporous films. PMID:25671140

  12. Indirect measurement of N-14 quadrupolar coupling for NH3 intercalated in potassium graphite

    NASA Technical Reports Server (NTRS)

    Tsang, T.; Fronko, R. M.; Resing, H. A.

    1987-01-01

    A method for indirect measurement of the nuclear quadrupolar coupling was developed and applied to NH3 molecules in the graphite intercalation compound K(NH3)4.3C24, which has a layered structure with alternating carbon and intercalant layers. Three triplets were observed in the H-1 NMR spectra of the compound. The value of the N-14 quadrupolar coupling constant of NH3 (3.7 MHz), determined indirectly from the H-1 NMR spectra, was intermediate between the gas value of 4.1 MHz and the solid-state value of 3.2 MHz. The method was also used to deduce the (H-1)-(H-1) and (N-14)-(H-1) dipolar interactions, the H-1 chemical shifts, and the molecular orientations and motions of NH3.

  13. The effect of length and diameter on the resistivity of bromine intercalated graphite fibers

    NASA Technical Reports Server (NTRS)

    Gaier, James R.

    1989-01-01

    The resistivity of bromine intercalated graphite fibers has been shown to vary with both the diameter and the length of the fibers. This is due to bromine depletion from the fiber surface. Model calculations assuming a 1.0 micron bromine depletion zone for P-100, and 3.0 microns for vapor-grown graphite fibers fit the respective diameter dependence of their resistivities quite well. Length dependence data imply a bromine depletion zone along the length of P-100 fibers which is also a few microns, but that of vapor grown fibers appears to be as large as 300 microns. Despite these values, microfilaments, which are much smaller than the expected depletion zones, do form residual bromine intercalation compounds with resistivities about one-half of their pristine value.

  14. Mg intercalation in layered and spinel host crystal structures for Mg batteries.

    PubMed

    Emly, Alexandra; Van der Ven, Anton

    2015-05-01

    We investigate electrochemical properties of Mg in layered and spinel intercalation compounds from first-principles using TiS2 as a model system. Our calculations predict that Mg(x)TiS2 in both the layered and spinel crystal structures exhibits sloping voltage profiles with steps at stoichiometric compositions due to Mg-vacancy ordering. Mg ions are predicted to occupy the octahedral sites in both layered and spinel TiS2 with diffusion mediated by hops between octahedral sites that pass through adjacent tetrahedral sites. Predicted migration barriers are substantially higher than typical Li-migration barriers in intercalation compounds. The migration barriers are shown to be very sensitive to lattice parameters of the host crystal structure. We also discuss the possible role of rehybridization between the transition metal and the anion in affecting migration barriers.

  15. A theoretical study of a carbon lattice system for lithium intercalated carbon anodes

    SciTech Connect

    Scanlon, L.G.; Storch, D.M.; Newton, J.H.; Sandi, G.

    1997-09-01

    A theoretical study was performed using computational chemistry to describe the intermolecular forces between graphite layers as well as spacing and conformation. It was found that electron correlation and a diffuse basis set were important for this calculation. In addition, the high reactivity of edge sites in lithium intercalated carbon anodes was also investigated. In this case, the reactive sites appear to strongly correlate with the relative distribution of the total atomic spin densities as well as total atomic charges. The spacing of graphite layers and lithium ion separation within an {open_quotes}approximated{close_quotes} lithium intercalated carbon anode was also investigated. The spacing of the carbon layers used in this investigation agrees most closely for that found in disordered carbon lattices.

  16. Intercalation of Varied Sulfonates into a Layered MOC: Confinement-Caused Tunable Luminescence and Novel Properties.

    PubMed

    Wen, Yuehong; Sheng, Tianlu; Zhu, Xiaoquan; Zhang, Hao; Zhuo, Chao; Hu, Shengmin; Cao, Wenhai; Wu, Xintao

    2016-04-01

    The pores/channels of porous 3D metal-organic frameworks (MOFs) have been widely applied to incorporate gas, solvent, or organic molecules. On the contrary, the utilization of the interlamellar void of layered metal-organic complexes (MOCs) remains underappreciated, although it is more flexible and available to accommodate molecules with different sizes. In this work, diverse sulfonates have been intercalated purposely into an identical layered MOC, which constructed various novel intercalation compounds possessing fluorescent, white-light emitting, photochromic, homochiral, or nonlinear optical (NLO) properties. With the help of single-crystal X-ray diffraction, their structures and the mutual interactions between the MOC host and the sulfonate guests were characterized. The properties of the guest molecules were tuned and meanwhile some new performances were generated after confining them into the interlayer region. Such a hybrid approach provides an efficient strategy to design and prepare multifunctional materials. PMID:26919304

  17. Prediction of above 20 K superconductivity of blue phosphorus bilayer with metal intercalations

    NASA Astrophysics Data System (ADS)

    Zhang, Jun-Jie; Dong, Shuai

    2016-09-01

    First-principles calculations predicted monolayer blue phosphorus to be an alternative two-dimensional allotrope of phosphorus, like the recently discovered monolayer black phosphorus. Due to its unique crystalline and electronic structure, blue phosphorus may be a promising candidate as a BCS-superconductor after proper intercalation. In this study, using first-principles calculations, the favorable intercalation sites for some alkali metals and alkaline earths have been identified for Blue-P bilayer and the stacking configuration of bilayer is changed. Then the blue phosphorus bilayer transforms from a semiconductor to a metal due to the charge transfer from metal to phosphorus. Own to the strong electron-phonon coupling, isotropic superconducting state is induced and the calculated transition temperatures are 20.4, 20.1, and 14.4 K for Li-, Na-, and Mg-intercaltion, respectively, which is superior to other predicted or experimentally observed two-dimensional BCS-superconductors.

  18. Methotrexate intercalated layered double hydroxides with the mediation of surfactants: Mechanism exploration and bioassay study.

    PubMed

    Dai, Chao-Fan; Tian, De-Ying; Li, Shu-Ping; Li, Xiao-Dong

    2015-12-01

    Methotrexatum intercalated layered double hydroxides (MTX/LDHs) hybrids were synthesized by the co-precipitation method and three kinds of nonionic surfactants with different hydrocarbon chain lengths were used. The resulting hybrids were then characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy and transmission electron microscopy (TEM). XRD and FTIR investigations manifest the successful intercalation of MTX anions into the interlayer of LDHs. TEM graphs indicate that the morphology of the hybrids changes with the variation of the chain length of the surfactants, i.e., the particles synthesized using polyethylene glycol (PEG-7) present regular disc morphology with good monodispersity, while samples with the mediation of alkyl polyglycoside (APG-14) are heavily aggregated and samples with the addition of polyvinylpyrrolidone (PVP-10) exhibit irregular branches. Furthermore, the release and bioassay experiments show that monodisperse MTX/LDHs present good controlled-release and are more efficient in the suppression of the tumor cells.

  19. ESR of Mn2+ in AlCl3-graphite intercalated compounds

    NASA Astrophysics Data System (ADS)

    Ceotto, G.; Barberis, G. E.; Rettori, C.

    1989-05-01

    Electron-spin-resonance experiments of Mn2+ impurities in stage-2 AlCl3-graphite intercalated compounds show the usual conduction-carrier spin resonance and a completely resolved Mn2+ spectrum of axial symmetry with the axial axis perpendicular to the carbon layers. The temperature dependence of the Mn2+ second-order crystal-field parameter and spin-lattice relaxation time are reported. The hyperfine splittings were found to be temperature independent. The observed anomalies in the linewidth of the conduction-carrier spin resonance and the intensity of the Mn2+ resonance at T~=200 K are interpreted in terms of a quasi-two-dimensional order-disorder phase transition experienced by the intercalant molecules at this temperature.

  20. Characterizing silicon intercalated graphene grown epitaxially on Ir films by atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Yong; Wang, Ye-Liang; Que, Yan-De; Gao, Hong-Jun

    2015-07-01

    An efficient method based on atomic force microscopy (AFM) has been developed to characterize silicon intercalated graphene grown on single crystalline Ir(111) thin films. By combining analyses of the phase image, force curves, and friction-force mapping, acquired by AFM, the locations and coverages of graphene and silicon oxide can be well distinguished. We can also demonstrate that silicon atoms have been successfully intercalated between graphene and the substrate. Our method gives an efficient and simple way to characterize graphene samples with interacted atoms and is very helpful for future applications of graphene-based devices in the modern microelectronic industry, where AFM is already widely used. Project supported by the National Basic Research Program of China (Grant Nos. 2013CBA01600 and 2011CB932700), the National Natural Science Foundation of China (Grant Nos. 61222112, 61390501 and 51325204), and Chinese Academy of Sciences (Grant Nos. 1731300500015 and XDB07030100).

  1. Secondary ion mass spectroscopy depth profiling of hydrogen-intercalated graphene on SiC

    NASA Astrophysics Data System (ADS)

    Michałowski, Paweł Piotr; Kaszub, Wawrzyniec; Merkulov, Alexandre; Strupiński, Włodek

    2016-07-01

    For a better comprehension of hydrogen intercalation of graphene grown on a silicon carbide substrate, an advanced analytical technique is required. We report that with a carefully established measurement procedure it is possible to obtain a reliable and reproducible depth profile of bi-layer graphene (theoretical thickness of 0.69 nm) grown on the silicon carbide substrate by the Chemical Vapor Deposition method. Furthermore, we show that with depth resolution as good as 0.2 nm/decade, both hydrogen coming from the intercalation process and organic contamination can be precisely localized. As expected, hydrogen was found at the interface between graphene and the SiC substrate, while organic contamination was accumulated on the surface of graphene and did not penetrate into it. Such a precise measurement may prove to be invaluable for further characterization of 2D materials.

  2. Probing the recognition surface of a DNA triplex: Binding studies with intercalator-neomycin conjugates

    PubMed Central

    Xue, Liang; Xi, Hongjuan; Kumar, Sunil; Gray, David; Davis, Erik; Hamilton, Paris; Skirba, Michael; Arya, Dev P.

    2012-01-01

    Thermodynamic studies on the interactions between intercalator-neomycin conjugates and a DNA polynucleotide triplex [poly(dA)•2poly(dT)] were conducted. To draw a complete picture of such interactions, naphthalenedimide-neomycin (3) and anthraquinone-neomycin (4) were synthesized and used together with two other analogues, previously synthesized pyrene-neomycin (1) and BQQ-neomycin (2), in our investigations. A combination of experiments including UV denaturation, circular dichroism (CD) titration, differential scanning calorimetry (DSC), and isothermal titration calorimetry (ITC) revealed that all four conjugates (1–4) stabilized poly(dA)•2poly(dT) much greater than its parent compound, neomycin. UV melting experiments clearly showed that the temperature (Tm3→2) at which poly(dA)•2poly(dT) dissociated into poly(dA)•poly(dT) and poly(dT) increased dramatically (> 12 °C) in the presence of intercalator-neomycin (1–4) even at a very low concentration (2 µM). In contrast to intercalator-neomycin conjugates, the increment of Tm3→2 of poly(dA)•2poly(dT) induced by neomycin was negligible under the same conditions. The binding preference of intercalator-neomycin (1–4) to poly(dA)•2poly(dT) was also confirmed by competition dialysis and fluorescent intercalator displacement assay. Circular dichroism titration studies revealed that compound 1–4 had slightly larger binding site size (~7–7.5) with poly(dA)•2poly(dT) as compared to neomycin (~6.5). The thermodynamic parameters of these intercalator-neomycin conjugates with poly(dA)•2poly(dT) were derived from an integrated van’t Hoff equation using the Tm3→2 values, the binding site size numbers, and other parameters obtained from DSC and ITC. The binding affinity of all tested ligands with poly(dA)•2poly(dT) increased in the order neomycin < 1 < 3 < 4 < 2. Amongst them, the binding constant [(2.7 ± 0.3) × 108 M−1] of 2 with poly(dA)•2poly(dT) was the highest, almost 1000 fold more

  3. Evolving form to fit function: cardiomyocyte intercalated disc and transverse-tubule membranes.

    PubMed

    Kline, Crystal F; Mohler, Peter J

    2013-01-01

    The vertebrate cardiac myocyte has evolved a highly organized cellular membrane architecture and cell-cell contacts in order to effectively transmit precisely timed and homogeneous depolarizing waves without failure (>2 billion times/human life span). Two unique specialized membrane domains, the intercalated disc and the transverse tubule (T-tubule), function to ensure the rapid and coordinated propagation of the action potential throughout the heart. Based on their critical roles in structure, signaling, and electric inter- and intracellular communication, it is not surprising that dysfunction in these membrane structures is associated with aberrant vertebrate physiology, resulting in potentially fatal congenital and acquired disease. This chapter will review the fundamental components of cardiomyocyte intercalated disc and transverse-tubule membranes with a focus on linking dysfunction in these membranes with human cardiovascular disease.

  4. Prediction of above 20 K superconductivity of blue phosphorus bilayer with metal intercalations

    NASA Astrophysics Data System (ADS)

    Zhang, Jun-Jie; Dong, Shuai

    2016-09-01

    First-principles calculations predicted monolayer blue phosphorus to be an alternative two-dimensional allotrope of phosphorus, like the recently discovered monolayer black phosphorus. Due to its unique crystalline and electronic structure, blue phosphorus may be a promising candidate as a BCS-superconductor after proper intercalation. In this study, using first-principles calculations, the favorable intercalation sites for some alkali metals and alkaline earths have been identified for Blue-P bilayer and the stacking configuration of bilayer is changed. Then the blue phosphorus bilayer transforms from a semiconductor to a metal due to the charge transfer from metal to phosphorus. Own to the strong electron–phonon coupling, isotropic superconducting state is induced and the calculated transition temperatures are 20.4, 20.1, and 14.4 K for Li-, Na-, and Mg-intercaltion, respectively, which is superior to other predicted or experimentally observed two-dimensional BCS-superconductors.

  5. Bifunctional rhodium intercalator conjugates as mismatch-directing DNA alkylating agents.

    PubMed

    Schatzschneider, Ulrich; Barton, Jacqueline K

    2004-07-21

    A conjugate of a DNA mismatch-specific rhodium intercalator, containing the bulky chrysenediimine ligand, and an aniline mustard has been prepared, and targeting of mismatches in DNA by this conjugate has been examined. The preferential alkylation of mismatched over fully matched DNA is found by a mobility shift assay at concentrations where untethered organic mustards show little reaction. The binding site of the Rh intercalator was determined by DNA photocleavage, and the position of covalent modification was established on the basis of the enhanced depurination associated with N-alkylation. The site-selective alkylation at mismatched DNA renders these conjugates useful tools for the covalent tagging of DNA base pair mismatches and new chemotherapeutic design.

  6. Confinement Effects on the Structure and Dynamics in Intercalated Polymer / Layered Silicates Nanohybrids

    SciTech Connect

    Chrissopoulou, K.; Afratis, A.; Fotiadou, S.; Frick, B.; Anastasiadis, S. H.

    2010-06-02

    The structure and dynamics of PEO/Na{sup +} MMT nanocomposites are investigated by XRD, DSC, and quasielastic neutron scattering (QENS). For concentrations up to 20 wt% the PEO chains within the galleries form either a single- or a double-layered structure of intercalated chains; at higher PEO content only double layers of intercalated PEO chains are formed within the 0.9 nm galleries. Moreover, it is only for polymer content above 70 wt% that peaks corresponding to crystalline PEO and DSC melting transition are observed, indicating that the confined chains remain liquid-like and only the excess polymer outside the completely full galleries can crystallize. QENS investigated the dynamics of PEO in bulk and in confinement. A jump of the bulk PEO dynamics at T{sub m} is observed whereas the dynamics of confined PEO shows only weak wavevector and temperature dependence and goes smoothly through the bulk T{sub m}.

  7. Capture of a Transition State Using Molecular Dynamics: Creation of an Intercalation Site in dsDNA with Ethidium Cation.

    PubMed

    Monaco, Regina R

    2010-03-31

    The mechanism of intercalation and the ability of double stranded DNA (dsDNA) to accommodate a variety of ligands in this manner has been well studied. Proposed mechanistic steps along this pathway for the classical intercalator ethidium have been discussed in the literature. Some previous studies indicate that the creation of an intercalation site may occur spontaneously, with the energy for this interaction arising either from solvent collisions or soliton propagation along the helical axis. A subsequent 1D diffusional search by the ligand along the helical axis of the DNA will allow the ligand entry to this intercalation site from its external, electrostatically stabilized position. Other mechanistic studies show that ethidium cation participates in the creation of the site, as a ligand interacting closely with the external surface of the DNA can cause unfavorable steric interactions depending on the ligands' orientation, which are relaxed during the creation of an intercalation site. Briefly, such a site is created by the lengthening of the DNA molecule via bond rotation between the sugars and phosphates along the DNA backbone, causing an unwinding of the dsDNA itself and separation between the adjacent base pairs local to the position of the ligand, which becomes the intercalation site. Previous experimental measurements of this interaction measure the enthalpic cost of this part of the mechanism to be about -8 kcal/mol. This paper reports the observation, during a computational study, of the spontaneous opening of an intercalation site in response to the presence of a single ethidium cation molecule in an externally bound configuration. The concerted motions between this ligand and the host, a dsDNA decamer, are clear. The dsDNA decamer AGGATGCCTG was studied; the central ...GATG... site was the intercalation site.

  8. Bidirectional synaptic plasticity in intercalated amygdala neurons and the extinction of conditioned fear responses.

    PubMed

    Royer, S; Paré, D

    2002-01-01

    Classical fear conditioning is believed to result from potentiation of conditioned synaptic inputs in the basolateral amygdala. That is, the conditioned stimulus would excite more neurons in the central nucleus and, via their projections to the brainstem and hypothalamus, evoke fear responses. However, much data suggests that extinction of fear responses does not depend on the reversal of these changes but on a parallel NMDA-dependent learning that competes with the first one. Because they control impulse traffic from the basolateral amygdala to the central nucleus, GABAergic neurons of the intercalated cell masses are ideally located to implement this second learning. Consistent with this hypothesis, the present study shows that low- and high-frequency stimulation of basolateral afferents respectively induce long-term depression (LTD) and potentiation (LTP) of responses in intercalated cells. Moreover, induction of LTP and LTD is prevented by application of an NMDA antagonist. To determine how these activity-dependent changes are expressed, we tested whether LTD and LTP induction are associated with modifications in paired-pulse facilitation, an index of transmitter release probability. Only LTP induction was associated with a change in paired-pulse facilitation. Depotentiation of previously potentiated synapses did not revert the modification in paired pulse facilitation, suggesting that LTP is associated with presynaptic alterations, but that LTD and depotentiation depend on postsynaptic changes. Taken together, our results suggest that basolateral synapses onto intercalated neurons can express NMDA-dependent LTP and LTD, consistent with the possibility that intercalated neurons are a critical locus of plasticity for the extinction of conditioned fear responses. Ultimately, these plastic events may prevent conditioned amygdala responses from exciting neurons of the central nucleus, and thus from evoking conditioned fear responses.

  9. Modeling lithium intercalation of a single spinel particle under potentiodynamic control

    SciTech Connect

    Zhang, D.; Popov, B.N.; White, R.E.

    2000-03-01

    A mathematical model is presented for the lithium intercalation of a single spinel particle as a microelectrode under the stimulus of a cyclic linear potential sweep. The model includes both lithium diffusion within the particle and kinetics at the particle-electrolyte interface. The model is used to predict that peak current densities depend linearly on the scan rate to a certain power with a constant term, which is different from the predicted peak current density for a conventional redox system.

  10. Noble-metal intercalation process leading to a protected adatom in a graphene hollow site

    NASA Astrophysics Data System (ADS)

    Narayanan Nair, M.; Cranney, M.; Jiang, T.; Hajjar-Garreau, S.; Aubel, D.; Vonau, F.; Florentin, A.; Denys, E.; Bocquet, M.-L.; Simon, L.

    2016-08-01

    In previous studies, we have shown that gold deposited on a monolayer (ML) of graphene on SiC(0001) is intercalated below the ML after an annealing procedure and affects the band structure of graphene. Here we prove experimentally and theoretically that some of the gold forms a dispersed phase composed of single adatoms, being intercalated between the ML and the buffer layer and in a hollow position with respect to C atoms of the ML on top. They are freestanding and negatively charged, due to the partial screening of the electron transfer between SiC and the ML, without changing the intrinsic n-type doping of the ML. As these single atoms decouple the ML from the buffer layer, the quasiparticles of graphene are less perturbed, thus increasing their Fermi velocity. Moreover, the hollow position of the intercalated single Au atoms might lead to spin-orbit coupling in the graphene layer covering IC domains. This effect of spin-orbit coupling has been recently observed experimentally in Au-intercalated graphene on SiC(0001) [D. Marchenko, A. Varykhalov, J. Sánchez-Barriga, Th. Seyller, and O. Rader, Appl. Phys. Lett. 108, 172405 (2016), 10.1063/1.4947286] and has been theoretically predicted for heavy atoms, like thallium, in a hollow position on graphene [C. Weeks, J. Hu, J. Alicea, M. Franz, and R. Wu, Phys. Rev. X 1, 021001 (2011), 10.1103/PhysRevX.1.021001; A. Cresti, D. V. Tuan, D. Soriano, A. W. Cummings, and S. Roche, Phys. Rev. Lett. 113, 246603 (2014), 10.1103/PhysRevLett.113.246603].

  11. Intermolecular interactions between imidazole derivatives intercalated in layered solids. Substituent group effect

    SciTech Connect

    González, M.; Lemus-Santana, A.A.; Rodríguez-Hernández, J.; Aguirre-Velez, C.I.; Knobel, M.; Reguera, E.

    2013-08-15

    This study sheds light on the intermolecular interactions between imidazole derive molecules (2-methyl-imidazole, 2-ethyl-imidazole and benzimidazole) intercalated in T[Ni(CN){sub 4}] layers to form a solid of formula unit T(ImD){sub 2}[Ni(CN){sub 4}]. These hybrid inorganic–organic solids were prepared by soft chemical routes and their crystal structures solved and refined from X-ray powder diffraction data. The involved imidazole derivative molecules were found coordinated through the pyridinic N atom to the axial positions for the metal T in the T[Ni(CN){sub 4}] layer. In the interlayers region ligand molecules from neighboring layers remain stacked in a face-to-face configuration through dipole–dipole and quadrupole–quadrupole interactions. These intermolecular interactions show a pronounced dependence on the substituent group and are responsible for an ImD-pillaring concatenation of adjacent layers. This is supported by the structural information and the recorded magnetic data in the 2–300 K temperature range. The samples containing Co and Ni are characterized by presence of spin–orbit coupling and pronounced temperature dependence for the effective magnetic moment except for 2-ethyl-imidazole related to the local distortion for the metal coordination environment. For this last one ligand a weak ferromagnetic ordering ascribed to a super-exchange interaction between T metals from neighboring layers through the ligands π–π interaction was detected. - Graphical abstract: In the interlayers region imidazole derivative molecules are oriented according to their dipolar and quadrupolar interactions and minimizing the steric impediment. Highlights: • Imidazole derivatives intercalation compounds. • Intermolecular interaction between intercalated imidazole derivatives. • Hybrid inorganic–organic solids. • Pi–pi interactions and ferromagnetic coupling. • Dipolar and quadrupolar interactions between intercalated imidazole derivatives.

  12. Direct Observation of Reversible Magnesium Ion Intercalation into a Spinel Oxide Host

    SciTech Connect

    Kim, Chunjoong; Phillips, Patrick J.; Key, Baris; Yi, Tanghong; Nordlund, Dennis; Yu, Young-Sang; Bayliss, Ryan D.; Han, Sang-Don; He, Meinan; Zhang, Zhengcheng; Burrell, Anthony K.; Klie, Robert F.; Cabana, Jordi

    2015-04-17

    Direct evidence of Mg2+ intercalation into a spinel-type Mn2O4 is provided. By com­bining tools with different sensitivities, from atomic-resolution X-ray spectro­scopy to bulk X-ray diffraction, it is demonstrated that Mg2+ reversibly occupies the tetrahedral sites of the spinel structure through the reduction of Mn when the electrochemical reaction is performed.

  13. Sub-nanometer control of the interlayer spacing in thin films of intercalated rodlike conjugated molecules.

    PubMed

    Vogel, Jörn-Oliver; Salzmann, Ingo; Opitz, Ricarda; Duhm, Steffen; Nickel, Bert; Rabe, Jürgen P; Koch, Norbert

    2007-12-27

    Organic molecular beam co-deposition of rodlike conjugated molecules with an alkylated analogue resulted in thin film structures with layers of alternating semiconducting (conjugated molecular parts) and insulating (alkyl parts) character. By varying the alkylated molecule ratio, we could adjust the distance between conjugated layers with sub-nanometer precision, exploiting the mechanical flexibility of the alkyl chains. Furthermore, due to mutual molecular intercalation, mixed layers containing two conjugated moieties with vastly different electronic properties could be fabricated.

  14. High performance Li-ion sulfur batteries enabled by intercalation chemistry.

    PubMed

    Lv, Dongping; Yan, Pengfei; Shao, Yuyan; Li, Qiuyan; Ferrara, Seth; Pan, Huilin; Graff, Gordon L; Polzin, Bryant; Wang, Chongmin; Zhang, Ji-Guang; Liu, Jun; Xiao, Jie

    2015-09-11

    The unstable interface of lithium metal in high energy density Li sulfur (Li-S) batteries raises concerns of poor cycling, low efficiency and safety issues, which may be addressed by using intercalation types of anode. Herein, a new prototype of Li-ion sulfur battery with high performance has been demonstrated by coupling a graphite anode with a sulfur cathode (2 mA h cm(-2)) after successfully addressing the interface issue of graphite in an ether based electrolyte. PMID:26214797

  15. Preparation and lithium intercalation behavior of TiO{sub 2} in aqueous solutions

    SciTech Connect

    Li, Yunjiao Li, Lin; Chen, Lingpeng; Wang, Xuanyu; Xu, Cang

    2014-04-01

    Highlights: • The poor crystalline anatase phase or amorphous TiO{sub 2} was prepared by TiCl{sub 4} hydrolysis under different pH conditions. • Phase transition behavior and lithium intercalation ability of the obtained TiO{sub 2} were found to be related to TiO{sub 2} property. • The results indicate that TiO{sub 2} products obtained from TiCl{sub 4} hydrolysis at lower pH are favorable for lithium intercalation. - Abstract: The low crystalline or amorphous TiO{sub 2} was prepared by TiCl{sub 4} hydrolysis in aqueous solutions under different pH conditions at 45 °C. The products obtained at lower pH (1.23–3.10) appear to be nano-sized particles with poor crystalline anatase structure and an uniform particle size distribution, while the product prepared at pH 4.10 presents in a poor crystalline anatase structure and the regular morphology starts to disappear, and the products obtained at higher pH (>6.00) are amorphous and irregular morphology. The hydrolysis products obtained at pH 2.60 and 8.80 were heat-treated at 300, 400, 600, 700 and 800 °C for 3 h, respectively, to figure out the phase transition. The differences in phase transition process were observed, which verified the properties difference. The lithium intercalation abilities of the obtained TiO{sub 2} were studied. The results indicated that the TiO{sub 2} obtained at lower pH are more favorable for lithium intercalation and are better precursors.

  16. Intercalation between antitumor anthracyclines and DNA as probed by resonance and surface-enhanced Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Smulevich, G.; Mantini, A. R.; Casu, M.; Marzocchi, M. P.

    1991-05-01

    The antiturnor anthracyclincs, idarubicin (IDA ), adrianiycin (ADM), epirubicin (EPI), carminomycin (CAR) and 1 1-deoxycarminornycin (DCM), whose siructural formula includes a substituted hydroxyanthraquirionc chrornophore and a sugar residue, form intercalation complexes with DNA. The stacking interaction between the chromophore and the base-pairs of DNA gives rise to noticeable ciTects on resonance Raman (RR) and surface-enhanced resonance Raman (SERRS) scattering as well as on the absorption (ABS), its second derivative (D2) and fluorescence emission (FEM) spectra.

  17. High performance Li-ion sulfur batteries enabled by intercalation chemistry.

    PubMed

    Lv, Dongping; Yan, Pengfei; Shao, Yuyan; Li, Qiuyan; Ferrara, Seth; Pan, Huilin; Graff, Gordon L; Polzin, Bryant; Wang, Chongmin; Zhang, Ji-Guang; Liu, Jun; Xiao, Jie

    2015-09-11

    The unstable interface of lithium metal in high energy density Li sulfur (Li-S) batteries raises concerns of poor cycling, low efficiency and safety issues, which may be addressed by using intercalation types of anode. Herein, a new prototype of Li-ion sulfur battery with high performance has been demonstrated by coupling a graphite anode with a sulfur cathode (2 mA h cm(-2)) after successfully addressing the interface issue of graphite in an ether based electrolyte.

  18. The impact of DNA intercalators on DNA and DNA-processing enzymes elucidated through force-dependent binding kinetics

    PubMed Central

    Biebricher, Andreas S.; Heller, Iddo; Roijmans, Roel F. H.; Hoekstra, Tjalle P.; Peterman, Erwin J. G.; Wuite, Gijs J. L.

    2015-01-01

    DNA intercalators are widely used as fluorescent probes to visualize DNA and DNA transactions in vivo and in vitro. It is well known that they perturb DNA structure and stability, which can in turn influence DNA-processing by proteins. Here we elucidate this perturbation by combining single-dye fluorescence microscopy with force spectroscopy and measuring the kinetics of DNA intercalation by the mono- and bis-intercalating cyanine dyes SYTOX Orange, SYTOX Green, SYBR Gold, YO-PRO-1, YOYO-1 and POPO-3. We show that their DNA-binding affinity is mainly governed by a strongly tension-dependent dissociation rate. These rates can be tuned over a range of seven orders of magnitude by changing DNA tension, intercalating species and ionic strength. We show that optimizing these rates minimizes the impact of intercalators on strand separation and enzymatic activity. These new insights provide handles for the improved use of intercalators as DNA probes with minimal perturbation and maximal efficacy. PMID:26084388

  19. Optimization of UV absorptivity of layered double hydroxide by intercalating organic UV-absorbent molecules.

    PubMed

    Mohsin, Sumaiyah Megat Nabil; Hussein, Mohd Zobir; Sarijo, Siti Halimah; Fakurazi, Sharida; Arulselvan, Palanisamy; Taufiq-Yap, Yun Hin

    2014-08-01

    Intercalation of Zn/Al layered double hydroxide (LDH) with benzophenone 9 (B9), a strong ultraviolet (UV) absorber, had been carried out by two different routes; co-precipitation and ion exchange method. Powder X-ray diffraction (PXRD) patterns of co-precipitated (ZB9C) and ion exchanged product (ZB91) showed basal spacing of 15.9 angstrom and 16.6 angstrom, respectively, as a result of the intercalation of B9 anions into the lamellae spaces of LDH. Intercalation was further confirmed by Fourier transform infrared spectra (FTIR), carbon, hydrogen, nitrogen and sulfur (CHNS) and thermogravimetric and differential thermogravimetric (TGA/DTG) studies. UV-vis absorption properties of the nanocomposite was investigated with diffuse reflectance UV-visible spectrometer and showed broader UV absorption range. Furthermore, stability of sunscreen molecules in LDH interlayer space was tested in deionized water, artificial sea water and skin pH condition to show slow deintercalation and high retention in host. Cytotoxicity study of the synthesized nanocomposites on human dermal fibroblast (HDF) cells shows no significant cytotoxicity after 24 h exposure for test concentrations up to 25 microg/mL. PMID:25016649

  20. Use of Propranolol-Magnesium Aluminium Silicate Intercalated Complexes as Drug Reservoirs in Polymeric Matrix Tablets

    PubMed Central

    Pongjanyakul, T.; Rojtanatanya, S.

    2012-01-01

    The objective of the present study was to investigate the use of propranolol–magnesium aluminium silicate intercalated complexes as drug reservoirs in hydroxypropylmethylcellulose tablets. The matrix tablets containing the complexes were prepared and characterised with respect to propranolol release and were subsequently compared with those loading propranolol or a propranolol–magnesium aluminium silicate physical mixture. Additionally, the effects of varying viscosity grades of hydroxypropyl methylcellulose, compression pressures and calcium acetate incorporation on the drug release characteristics of the complex-loaded tablets were also examined. The results showed that the complex-loaded tablets have higher tablet hardness than those containing propranolol or a physical mixture. The drug release from the complex-loaded tablets followed a zero-order release kinetic, whereas an anomalous transport was found in the propranolol or physical mixture tablets. The drug release rate of the complex tablet significantly decreased with increasing hydroxypropylmethylcellulose viscosity grade. Increase in the compression pressure caused a decrease in the drug release rate of the tablets. Furthermore, the incorporation of calcium ions could accelerate propranolol release, particularly in acidic medium, because calcium ions could be exchanged with propranolol molecules intercalated in the silicate layers of magnesium aluminium silicate. These findings suggest that propranolol-magnesium aluminium silicate intercalated complexes show strong potential for use as drug reservoirs in matrix tablets intended for modifying drug release. PMID:23626384

  1. Alkyl substitution effects on the intercalation of carcinogenic hydrocarbon and hydrocarbon metabolites into DNA

    SciTech Connect

    LeBreton, P.R.

    1986-05-01

    A large number of carcinogenic hydrocarbons and hydrocarbon metabolites intercalate into DNA with binding constants in terms of PO/sub 4//sup -/ concentration which lie in the range 10/sup 3/-10/sup 4/ M/sup -1/. These binding constants are similar to those associated with base stacking and hydrogen bonding interactions that occur naturally in DNA. Previous studies show that different metabolites derived from the same parent hydrocarbon exhibit different binding properties. In recent studies the authors have examined the effects of alkyl substitution on hydrocarbon binding to calf thymus DNA. Such groups can enhance or inhibit carcinogenic activity. Studies of 1-alkyl BP/sup +/ derivatives and of their 7,8-dihydrodiols indicate that the alkyl groups ethyl, isopropyl and t-butyl inhibit intercalation. Methyl groups can either inhibit or enhance intercalation into DNA. The binding constants of DMBA and BA are nearly the same. However, DMA, which is a ..pi.. electron model compound of the bay region diol epoxide of DMBA, binds 6.7 times better than anthracene. Similarly, highly carcinogenic 5-methylchyrsene binds to DNA 3.9 times better than chrysene. /sup +/Abbreviations: BP, benzo(a)pyrene; DMBA, 7,12-dimethylbenz(a)anthracene; BA, benz(a)anthracene DMA, 9,10-dimethylanthracene.

  2. In vitro and in vivo behavior of ketoprofen intercalated into layered double hydroxides.

    PubMed

    Silion, Mihaela; Hritcu, Doina; Jaba, Irina M; Tamba, Bogdan; Ionescu, Dunarea; Mungiu, Ostin C; Popa, Ionel Marcel

    2010-11-01

    Ketoprofen (Ket) was intercalated into layered double hydroxides (ZnAlLDH and MgAlLDH) using the ionic exchange method. The drug intercalation was confirmed by X-ray diffraction (XRD) and FTIR spectroscopy. Ket release from the inorganic matrix was studied at pH 7.4 in continuous regime with a flow rate of 0.5 and respectively 1.0 ml/min. The kinetical data were interpreted using the Ritger and Peppas model. The data prove that the release kinetics and mechanism depend on the eluent flow rate. Quantification of gastric tolerance shows that the ulcerogenic effect of the intercalated drug is lower than the one of the raw Ket. The antinociceptive effect of both formulations was studied by the hot-plate method performed on mice. The MgAlLDH_Ket formulation shows a tendency towards a stronger antinociceptive effect than its ZnAlLDH_Ket counterpart during the 210 min recorded period.

  3. Effect of Temperature on the Local Structure of Kaolinite Intercalated with Potassium Acetate

    SciTech Connect

    White, Claire E.; Provis, John L.; Gordon, Laura E.; Riley, Daniel P.; Proffen, Thomas; van Deventer, Jannie S.J.

    2011-09-06

    Kaolinite intercalated with potassium acetate is of great interest in the areas of environmental remediation and industrial application; however, its exact atomic structure and the changes which occur when heated have remained largely elusive. Here, neutron pair distribution function analysis is used to investigate the local structural characteristics of this complex material, revealing that hydrated potassium acetate exists as a single layer in the interlamellar spacing of kaolinite. Furthermore, the potassium ions within the intercalated complex are most likely associated with the resonance structure of the acetate molecules, and upon heating (and decomposition of the carbon containing molecules), these ions become strongly associated with the negative charge located on the oxygen atoms in the alumina layers of dehydroxylated kaolinite. Several possible orientations of hydrated potassium acetate within the interlamellar spacing of kaolinite have been proposed and investigated using density functional modeling, revealing the complex nature of this material. Nevertheless, this investigation has shown that the dehydroxylated form of the intercalated compound contains highly strained alumina and available alkali (potassium), making it a viable alternative to traditional aluminosilicates.

  4. Spin polarized current injection through HgBr{sub 2} intercalated Bi2212 intrinsic Josephson junctions.

    SciTech Connect

    Ozyuzer, L.; Kurter, C.; Ozdemir, M.; Zasadzinski, J. F.; Gray, K. E.; Hinks, D. G.

    2007-06-01

    To investigate the effect of polarized current on tunneling characteristics of intrinsic Josephson junctions (IJJs), spin-polarized and spin-degenerate current have been injected through the c-axis of HgBr{sub 2} intercalated Bi{sub 2.1}Sr{sub 1.5}Ca{sub 1.4}Cu{sub 2}O{sub 8+delta} (Bi2212) single crystals on which 10 times 10 mum{sup 2} mesas have been fabricated. These two spin conditions are achieved by depositing either Au (15 nm)/Co (80 nm)/Au (156 nm) multilayers or single Au film on HgBr{sub 2} intercalated Bi2212 with T{sub c} = 74 K followed by photolithography and Ar ion beam etching. The I-V characteristics have been measured with and without a magnetic field parallel to c-axis at 4.2 K. A fine, soft Au wire is used to make a gentle mechanical contact on the top of a particular mesa in the array. Tunneling conductance characteristics were obtained and the magnetic field dependence of sumgap voltage peaks was investigated. These peaks do not change in position with increasing magnetic field for both contact configurations. In addition, the temperature dependence of tunneling characteristics of the IJJs are obtained and existence of pseudogap feature is observed above T{sub c} for HgBr{sub 2} intercalated Bi2212.

  5. Charge neutrality of quasi-free-standing monolayer graphene induced by the intercalated Sn layer

    NASA Astrophysics Data System (ADS)

    Kim, Hidong; Dugerjav, Otgonbayar; Lkhagvasuren, Altaibaatar; Seo, Jae M.

    2016-04-01

    It has been confirmed by angle-resolved photoemission spectroscopy that decoupled quasi-free-standing monolayer graphene (QFMLG), obtained by Sn intercalation between the ≤ft(6\\sqrt{3}× 6\\sqrt{3}\\right)R{{30}{^\\circ}} buffer layer and the 6H-SiC(0 0 0 1) substrate, is charge-neutral, i.e. the Dirac point matches with the Fermi level. By combined studies of scanning tunneling microscopy/spectroscopy and core-level/valence-band photoemission spectroscopy on this system, it has been found that the intercalated Sn atoms, bonding with the Si atoms of the top Si-C bilayer on the substrate comprise a hexagonal 10× 10 layer, which turns out to be metallic. Such a metallic character, which has never been found in intercalation using different elements, is a major cause of charge neutrality of QFMLG, since conduction electrons of the Sn layer compensate completely spontaneous polarization charges of 6H-SiC(0 0 0 1). This charge-neutral QFMLG is stable at a high temperature of 850 °C.

  6. Evolutionarily conserved intercalated disc protein Tmem65 regulates cardiac conduction and connexin 43 function.

    PubMed

    Sharma, Parveen; Abbasi, Cynthia; Lazic, Savo; Teng, Allen C T; Wang, Dingyan; Dubois, Nicole; Ignatchenko, Vladimir; Wong, Victoria; Liu, Jun; Araki, Toshiyuki; Tiburcy, Malte; Ackerley, Cameron; Zimmermann, Wolfram H; Hamilton, Robert; Sun, Yu; Liu, Peter P; Keller, Gordon; Stagljar, Igor; Scott, Ian C; Kislinger, Thomas; Gramolini, Anthony O

    2015-01-01

    Membrane proteins are crucial to heart function and development. Here we combine cationic silica-bead coating with shotgun proteomics to enrich for and identify plasma membrane-associated proteins from primary mouse neonatal and human fetal ventricular cardiomyocytes. We identify Tmem65 as a cardiac-enriched, intercalated disc protein that increases during development in both mouse and human hearts. Functional analysis of Tmem65 both in vitro using lentiviral shRNA-mediated knockdown in mouse cardiomyocytes and in vivo using morpholino-based knockdown in zebrafish show marked alterations in gap junction function and cardiac morphology. Molecular analyses suggest that Tmem65 interaction with connexin 43 (Cx43) is required for correct localization of Cx43 to the intercalated disc, since Tmem65 deletion results in marked internalization of Cx43, a shorter half-life through increased degradation, and loss of Cx43 function. Our data demonstrate that the membrane protein Tmem65 is an intercalated disc protein that interacts with and functionally regulates ventricular Cx43.

  7. Low-Voltage Voltammetric Electrowetting of Graphite Surfaces by Ion Intercalation/Deintercalation.

    PubMed

    Zhang, Guohui; Walker, Marc; Unwin, Patrick R

    2016-08-01

    We demonstrate low-voltage electrowetting at the surface of freshly cleaved highly oriented pyrolytic graphite (HOPG). Using cyclic voltammetry (CV), electrowetting of a droplet of a sodium perchlorate solution is observed at moderately positive potentials on high-quality (low step edge coverage) HOPG, leading to significant changes in the contact angle and relative contact diameter that are comparable to the results of the widely studied electrowetting on dielectric (EWOD) system, but over a much lower voltage range. The electrowetting behavior is found to be reasonably fast, reversible, and repeatable for at least 20 cyclic scans (maximum tested). In contrast to classical electrowetting, e.g., EWOD, the electrowetting of the droplet on HOPG occurs with the intercalation/deintercalation of anions between the graphene layers of graphite, driven by the applied potential, observed in the CV response, and detected by X-ray photoelectron spectroscopy. The electrowetting behavior is strongly influenced by those factors that affect the extent of the intercalation/deintercalation of ions on graphite, such as potential range scan rate, potential polarity, quality of the HOPG substrate (step edge density and step height), and type of anion in the solution. In addition to perchlorate, sulfate salts also promote electrowetting, but some other salts do not. Our findings suggest a new mechanism for electrowetting based on ion intercalation, and the results are important to fundamental electrochemistry as well as to diversifying the means by which electrowetting can be controlled and applied.

  8. Controlling the actuation properties of MXene paper electrodes upon cation intercalation

    DOE PAGESBeta

    Come, Jeremy E.; Black, Jennifer M.; Naguib, Michael; Lukatskaya, Maria R.; Beidaghi, Majid; Wesolowski, David J.; Gogotsi, Yury; Rondinone, Adam J.; Balke, Nina; Kalinin, Sergei V.

    2015-08-05

    Atomic force microscopy was used to monitor the macroscopic deformation in a delaminated Ti₃C₂ paper electrode in-situ, during charge/discharge in a variety of aqueous electrolytes to examine the effect of the cation intercalation on the electrochemical behavior and mechanical response. The results show a strong dependence of the electrode deformation on cation size and charge. The electrode undergoes a large contraction during Li⁺, Na⁺ or Mg²⁺ intercalation, differentiating the Ti₃C₂ paper from conventional electrodes where redox intercalation of ions (e.g. Li⁺) into the bulk phase (e.g. graphite, silicon) results in volumetric expansion. This feature may explain the excellent rate performancemore » and cyclability reported for MXenes. We also demonstrated that the variation of the electromechanical contraction can be easily adjusted by electrolyte exchange, and shows interesting characteristics for the design of actuators based on 2D metal carbides.« less

  9. Magnetic ordering of nickel hydroxide layers 30 Å apart obtained by intercalating dodecyl sulfate

    NASA Astrophysics Data System (ADS)

    Seehra, M. S.; Singh, V.

    2013-09-01

    The nature of magnetic ordering in quasi-2D layered hydroxide of Ni (LH-Ni-DS) with hexagonal structure and synthesized by intercalating dodecyl sulfate (DS) ligand, (C12H25OSO3)-, between the layers using a hydrothermal technique is investigated. The observation of (00l) peaks up to l = 8 in x-ray diffraction on the sample yields an interlayer spacing c ≃ 30.5 Å and a crystallite size ≃ 16 nm. Assignment of the lines observed in the FTIR spectra to the various groups of the DS ligand confirms the intercalation. From the analysis of detailed investigations of the temperature dependence of the magnetization M at different magnetic fields, ac susceptibilities at frequencies from 0.1 to 1 kHz, and electron magnetic resonance spectra at 9.28 GHz, it is concluded that LH-Ni-DS orders ferromagnetically at TC ≃ 23 K. This TC is about 45% higher than TC ≃ 16 K reported for LH-Ni-Ac with c ≃ 8.6 Å obtained by intercalating an acetate ligand between the layers. The roles of the interlayer dipolar interaction, magnetic anisotropy and exchange interactions in determining TC in LH-Ni-L systems for several ligands L yielding different c-axes are discussed.

  10. Hydrogen storage in Li-doped fullerene-intercalated hexagonal boron nitrogen layers

    NASA Astrophysics Data System (ADS)

    Cheng, Yi-Han; Zhang, Chuan-Yu; Ren, Juan; Tong, Kai-Yu

    2016-10-01

    New materials for hydrogen storage of Li-doped fullerene (C20, C28, C36, C50, C60, C70)-intercalated hexagonal boron nitrogen ( h-BN) frameworks were designed by using density functional theory (DFT) calculations. First-principles molecular dynamics (MD) simulations showed that the structures of the C n -BN ( n = 20, 28, 36, 50, 60, and 70) frameworks were stable at room temperature. The interlayer distance of the h-BN layers was expanded to 9.96-13.59 Å by the intercalated fullerenes. The hydrogen storage capacities of these three-dimensional (3D) frameworks were studied using grand canonical Monte Carlo (GCMC) simulations. The GCMC results revealed that at 77 K and 100 bar (10 MPa), the C50-BN framework exhibited the highest gravimetric hydrogen uptake of 6.86 wt% and volumetric hydrogen uptake of 58.01 g/L. Thus, the hydrogen uptake of the Li-doped C n -intercalated h-BN frameworks was nearly double that of the non-doped framework at room temperature. Furthermore, the isosteric heats of adsorption were in the range of 10-21 kJ/mol, values that are suitable for adsorbing/desorbing the hydrogen molecules at room temperature. At 193 K (-80 °C) and 100 bar for the Li-doped C50-BN framework, the gravimetric and volumetric uptakes of H2 reached 3.72 wt% and 30.08 g/L, respectively.

  11. Understanding sodium versus lithium intercalation potentials of electrode materials for alkali-ion batteries

    NASA Astrophysics Data System (ADS)

    Arroyo-de Dompablo, M. Elena

    2014-08-01

    Differences in average voltages for the alkali ion intercalation (Li, Na) in a variety of electrode materials are investigated. The average Li and Na insertion potentials in the cavities of ◻ReO3-perovskite, ramsdellite-◻Ti2O4, layered-◻2A2Ti3O7 (A = Li, Na) and NASICON-◻Na3Ti2(PO4)3 have been calculated by first principles calculations at the density functional theory level. The results identify the type of site occupied by the inserted ion as the relevant structural parameter. Occupation of large sites (c.n. = 12, 8) might yield Na insertion voltages higher than Li ones. On the other extreme, occupation of tetrahedral sites raises the Li insertion voltage as much as 0.8 V above the Na one. For octahedral sites the higher polarizing character of Li ions vs. Na ions acts as a key-factor to bring the Li intercalation voltage above that of Na intercalation.

  12. Formation of mixed-layer structures in smectites intercalated with tryptone

    NASA Astrophysics Data System (ADS)

    Block, K. A.; Trusiak, A.; Steiner, J. C.; Katz, A.; Gottlieb, P.; Alimova, A.

    2012-12-01

    Stable clay-protein complexes are fundamental to studies of the critical zone, terrestrial ecosystems, pharmacology, and industrial applications such as bioremediation. Two sets of montmorillonite clays were purified and made homoionic for Na and Mg. Mg-montmorillonite and Na-montmorillonite were mixed with tryptone (casein digest) in a 9:1 and 18:1 clay:tryptone ratio, resulting in the formation of reversible intercalated structures. X-ray diffraction analysis of the protein-clay complexes produced profiles consisting of two peaks associated with the smectite 001 reflection and a related tryptone-packet peak similar to that produced by a mixed layer clay structure. Shifts in the 002, 003, and 004 diffraction maxima are attributed to disorder caused by the interaction with the protein. Line broadening in the smectite-tryptone XRD spectra is interpreted to be the result of interlayer absorption. Adsorption produces coherent crystalline packets of regularly interbedded tryptone and smectite platelets. SEM images reveal clay platelets with upwardly rolled edges that tend toward cylindrical structures with the production of occasional tubes in the smaller platelet size range as noted for organic compound-kaolinite intercalation reported by Fenoll Hach-Ali and Weiss (1969). Reference: Fenoll Hach-Ali, P.F., Weiss, A., 1969. Estudio de la reaccion de caolinita y N-metilform- amida. Quimica LXV, 769-790. Scanning electron micrograph of tryptone-intercalated clay platelets exhibiting rolled edge structure.

  13. Optical properties of tungsten oxide thin films with protons intercalated during sputtering

    SciTech Connect

    Yamada, Y.; Tajima, K.; Bao, S.; Okada, M.; Yoshimura, K.; Roos, A.

    2008-03-15

    Tungsten oxide thin films with protons intercalated during deposition (H{sub x}WO{sub 3}) were prepared using reactive direct-current-magnetron sputtering in a gas mixture of argon, oxygen, and hydrogen. The as-deposited films fabricated under suitable conditions were colored due to the formation of tungsten bronze. The concentration of intercalated protons, given by the x values in H{sub x}WO{sub 3}, was evaluated by ejecting protons electrochemically from the films. The x value of the films prepared at a constant working pressure was found to be proportional to the hydrogen flow ratio during deposition. On the other hand, the x value of the films prepared at a constant hydrogen flow ratio decreased sharply with increasing working pressure during deposition. The dispersion of the extinction coefficient ({kappa}) of the films was estimated by analyzing the experimental spectra of {psi} and {delta} measured with spectroscopic ellipsometry using the model composed of a homogeneous tungsten bronze layer with an additional surface roughness layer. As a result of this analysis, the {kappa} value was found to increase sharply with the number of intercalated protons. There was a linear dependence between the {kappa} value and the x value for x<0.2, while for x>0.3, the absorption saturated. This indicates that it is possible to evaluate the x value of H{sub x}WO{sub 3} films using spectroscopic ellipsometry.

  14. Preparation and enhanced properties of polyaniline/grafted intercalated ZnAl-LDH nanocomposites

    NASA Astrophysics Data System (ADS)

    Hu, Jinlong; Gan, Mengyu; Ma, Li; Zhang, Jun; Xie, Shuang; Xu, Fenfang; Shen, JiYue Zheng Xiaoyu; Yin, Hui

    2015-02-01

    The polymeric nanocomposites (PANI/AD-LDH) were prepared by in situ polymerization based on polyaniline (PANI) and decavanadate-intercalated and γ-aminopropyltriethoxysilane (APTS)-grafted ZnAl-layered double hydroxide (AD-LDH). FTIR and XRD studies confirm the grafting of APTS with decavanadate-intercalated LDH (D-LDH). The extent of grafting (wt%) has also been estimated on the basis of the residue left in nitrogen atmosphere at 800 °C in TGA. SEM and XPS studies show the partial exfoliation of grafted LDH in the PANI matrix and the interfacial interaction between PANI and grafted LDH, respectively. The grafted intercalated layered double hydroxide in reinforcing the properties of the PANI nanocomposites has also been investigated by open circuit potential (OCP), tafel polarization curves (TAF), electrochemical impendence spectroscopy (EIS), salt spray test and TGA-DTA. The experimental results indicate that the PANI/AD-LDH has a higher thermal stability and anticorrosion properties relative to the PANI.

  15. Preparation of graphite oxide by sodium cholate intercalation and sonication from Indonesian natural graphite

    NASA Astrophysics Data System (ADS)

    Panatarani, Camellia; Maulana, Ayu Oktama; Rianto, Anton; Joni, I. Made

    2016-02-01

    Graphite oxide is widely use in renewable energy application such as solar cells, fuel-cells, battery electrodes, catalyst support, etc. This paper reports the preparation of graphite oxide from Indonesian natural graphite by sodium cholate intercalation. The enrichment process of as received graphite with carbon content of 60% was carried out by using acid leaching (HF) method. The enrichment process successfully obtained graphite with carbon content 95.61% with contaminant minerals observed by EDS were magnesium and aluminum. Purified graphite was then intercalated by sodium cholate at various concentration and sonication time. The XRD results shows that preparation with concentration of sodium cholate 2 Wt.% and sonication 10 hours formed a peak characteristic of graphite oxide at 2θ=15°. In addition, the successful oxidation process designated by the C/O ratio of 15.75 observed from EDS and supported by the present of functional C-H and C-O obtained from the FTIR observation. It is concluded that the graphite oxide successfully prepared by intercalation using sodium cholate and sonication.

  16. Properties of hybrid CVD/PAN graphite fibers and their bromine intercalation compounds

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Lake, Max L.; Moinuddin, Alia; Marabito, Mark

    1992-01-01

    A hybrid fiber with a PAN core surrounded by a vapor grown carbon fiber (VGCF) sheath was fabricated using a proprietary process. The density, ultimate tensile strength, Young's modulus, and resistivity of pristine and bromine intercalated fibers made by this technique having diameters varying from 5 to 50 microns were compared with the values predicted from the rule of mixtures model. For both the pristine and intercalated fibers, the density, ultimate tensile strength, and Young's modulus of the fibers were lower than predicted, but the resistivity was measured to be consistent with predictions. The lower than theoretical mechanical properties may be evidence of a low density disordered interface between the core and the sheath which would lower the density and degrade the mechanical properties, but would leave the resistivity nearly unaffected. Intercalation had little if any effect on the ultimate tensile strength and Young's modulus, but raised the density by about 11 pct., and lowered the resistivity by an order of magnitude. The diameter dependence of the resistivity showed evidence of a depletion layer of the type found in VGCF.

  17. Properties of novel CVD graphite fibers and their bromine intercalation compounds

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Lake, Max L.; Moinuddin, Alia; Marabito, Mark

    1991-01-01

    A hybrid fiber with a PAN core surrounded by a vapor grown carbon fiber (VGCF) sheath was fabricated using a proprietary process. The density, ultimate tensile strength, Young's modulus, and resistivity of pristine and bromine intercalated fibers made by this technique having diameters varying from 5 to 50 microns were compared with the values predicted from the rule of mixtures model. For both the pristine and intercalated fibers, the density, ultimate tensile strength, and Young's modulus of the fibers were lower than predicted, but the resistivity was measured to be consistent with predictions. The lower than theoretical mechanical properties may be evidence of a low density disordered interface between the core and the sheath which would lower the density and degrade the mechanical properties, but would leave the resistivity nearly unaffected. Intercalation had little if any effect on the ultimate tensile strength and Young's modulus, but raised the density by about 11 pct., and lowered the resistivity by an order of magnitude. The diameter dependence of the resistivity showed evidence of a depletion layer of the type found in VGCF.

  18. Interplay between intercalated oxygen superstructures and monolayer h -BN on Cu(100)

    DOE PAGESBeta

    Ma, Chuanxu; Park, Jewook; Liu, Lei; Kim, Yong-Sung; Yoon, Mina; Baddorf, Arthur P.; Gu, Gong; Li, An-Ping

    2016-08-18

    The confinement effect of intercalated atoms in van der Waals heterostructures can lead to interesting interactions between the confined atoms or molecules and the overlaying two-dimensional (2D) materials. In this paper, we report the formation of ordered Cu(100) p(2×2) oxygen superstructures by oxygen intercalation under the monolayer hexagonal boron nitride (h-BN) on Cu after annealing. By using scanning tunneling microscopy and x-ray photoelectron spectroscopy, we identify the superstructure and reveal its roles in passivating the exposed Cu surfaces, decoupling h-BN and Cu, and disintegrating h-BN monolayers. The oxygen superstructure appears as a 2D pattern on the exposed Cu surface ormore » quasi-1D stripes of paired oxygen intercalated in the interface of h-BN and Cu predominantly oriented along the moiré modulations. The oxygen superstructure is shown to etch the overlaying h-BN monolayer in a thermal annealing process. After extended annealing, the h-BN monolayer disintegrates into nanoislands with zigzag edges. Finally, we discuss the implications of these findings on the stability and oxidation resistance of h-BN and relate them to challenges in process integration and 2D heterostructures.« less

  19. Structural study and crystal chemistry of the first stage calcium graphite intercalation compound

    SciTech Connect

    Emery, Nicolas; Herold, Claire . E-mail: Claire.Herold@lcsm.uhp-nancy.fr; Lagrange, Philippe

    2005-09-15

    A novel and efficient synthesis method concerning the preparation of the first stage calcium graphite intercalation compound is provided. It makes use of a reaction between liquid metallic alloy and pyrolytic graphite. From now on it is especially easy to obtain bulk CaC{sub 6} samples. Thanks to such samples, it was possible to study in detail the crystal structure of this binary intercalation compound. It has been entirely specified, so that we know that CaC{sub 6} crystal is rhombohedral and belongs to the R3-bar m space group with the following parameters: a=517pm and {alpha}=49.55 deg. The elemental unit cell contains one calcium atom and six carbon atoms. In this paper, we show also how the various MC{sub 6} structures evolve according to the size of the intercalated element and to the bond nature that appears in the final compound. CaC{sub 6} is unique, since all the other MC{sub 6} compounds exhibit a hexagonal symmetry.

  20. Effect of length of chopped pristine and intercalated graphite fibers on the resistivity of fiber networks

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Stahl, Mark

    1988-01-01

    Samples of Amoco P-100 fibers were chopped to lengths of 3.14, 2.53, 1.90, 1.27, 0.66 mm, or milled for 2 hours. The two-point resistivity of compacts of these fibers were measured as a function of pressure from 34 kPa to 143 MPa. Samples of each fiber length were intercalated with bromine at room temperature and similarly measured. The low pressure resistivity of the compacts decreased with increasing fiber length. Intercalation lowered the resistivity of each of the chopped length compacts, but raised the resistivity of the milled fiber compacts. Bulk resistivity of all samples decreased with increasing pressure at similar rates. Even though fiber volumes were as low as 5 percent, all measurements exhibited measurable resistivity. A greater change with pressure in the resistance was observed for shorter fibers than for longer, probably an indication of tighter fiber packing. Intercalation appeared to have no effect on the fiber to fiber contact resistance.

  1. Oscillatory behaviors and hierarchical assembly of contractile structures in intercalating cells

    NASA Astrophysics Data System (ADS)

    Fernandez-Gonzalez, Rodrigo; Zallen, Jennifer A.

    2011-08-01

    Fluctuations in the size of the apical cell surface have been associated with apical constriction and tissue invagination. However, it is currently not known if apical oscillatory behaviors are a unique property of constricting cells or if they constitute a universal feature of the force balance between cells in multicellular tissues. Here, we set out to determine whether oscillatory cell behaviors occur in parallel with cell intercalation during the morphogenetic process of axis elongation in the Drosophila embryo. We applied multi-color, time-lapse imaging of living embryos and SIESTA, an integrated tool for automated and semi-automated cell segmentation, tracking, and analysis of image sequences. Using SIESTA, we identified cycles of contraction and expansion of the apical surface in intercalating cells and characterized them at the molecular, cellular, and tissue scales. We demonstrate that apical oscillations are anisotropic, and this anisotropy depends on the presence of intact cell-cell junctions and spatial cues provided by the anterior-posterior patterning system. Oscillatory cell behaviors during axis elongation are associated with the hierarchical assembly and disassembly of contractile actomyosin structures at the medial cortex of the cell, with actin localization preceding myosin II and with the localization of both proteins preceding changes in cell shape. We discuss models to explain how the architecture of cytoskeletal networks regulates their contractile behavior and the mechanisms that give rise to oscillatory cell behaviors in intercalating cells.

  2. Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties

    NASA Astrophysics Data System (ADS)

    Osiry, H.; Cano, A.; Lemus-Santana, A. A.; Rodríguez, A.; Carbonio, R. E.; Reguera, E.

    2015-10-01

    This contribution discusses the intercalation of imidazole and its 2-ethyl derivative, and pyridine in 2D copper nitroprusside. In the interlayer region, neighboring molecules remain interacting throu gh their dipole and quadrupole moments, which supports the solid 3D crystal structure. The crystal structure of this series of intercalation compounds was solved and refined from powder X-ray diffraction patterns complemented with spectroscopic information. The intermolecular interactions were studied from the refined crystal structures and low temperature magnetic measurements. Due to strong attractive forces between neighboring molecules, the resulting π-π cloud overlapping enables the ferromagnetic coupling between metal centers on neighboring layers, which was actually observed for the solids containing imidazole and pyridine as intercalated molecules. For these two solids, the magnetic data were properly described with a model of six neighbors. For the solid containing 2-ethylimidazole and for 2D copper nitroprusside, a model of four neighbors in a plane is sufficient to obtain a reliable data fitting.

  3. Adsorption of the harmful hormone ethinyl estradiol inside hydrophobic cavities of CTA(+) intercalated montmorillonite.

    PubMed

    Burgos, A E; Ribeiro-Santos, Tatiana A; Lago, Rochel M

    2016-01-01

    Hydrophobic cavities produced by cetyltrimethylammonium cation (CTA(+)) exchanged and trapped in the interlayer space of montmorillonite were used to remove the harmful hormone contaminant ethinyl estradiol (EE2) from water. X-ray diffraction, thermogravimetry/derivative thermogravimetry, elemental analysis (carbon, hydrogen, nitrogen), Fourier transform infrared, scanning electron microscopy/energy dispersive spectroscopy, Brunauer-Emmett-Teller and contact angle analyses showed that the intercalation of 9, 16 and 34 wt% CTA(+) in the montmorillonite resulted in the d001 expansion from 1.37 to 1.58, 2.09 and 2.18 nm, respectively. EE2 adsorption experiments showed that the original clay montmorillonite does not remove EE2 from water whereas the intercalated composites showed high efficiency with adsorption capacities of 4.3, 8.8 and 7.3 mg g(-1) for M9CTA(+), M16CTA(+) and M34CTA(+), respectively. Moreover, experiments with montmorillonite simply impregnated with cetyltrimethylammonium bromide showed that the intercalation of CTA(+) to form the hydrophobic cavity is very important for the adsorption properties. Simple solvent extraction can be used to remove the adsorbed EE2 without significant loss of CTA(+), which allows the recovery and reuse of the adsorbent for at least five times. PMID:27508371

  4. Comparison of triple helix formation by polypurine versus polypyrimidine oligodeoxynucleotides when conjugated to a DNA intercalator.

    PubMed

    Orson, F M; Klysik, J; Glass, G A; Kinsey, B M

    1996-05-01

    Biological applications of triplex forming oligonucleotides will require the development of oligomers with high avidity and specificity. We examined the binding enhancement resulting from intercalator conjugation to both parallel design (polythymidine T15) and antiparallel design (polypurine AG15, for binding a 15 base pair polypurine-polypyrimidine sequence in the IL-2R alpha gene enhancer) oligomers under various ionic strength and temperature conditions. Oligonucleotides were conjugated through a urea link to 6,9 diamino-3-methoxy acridine (to give T15C and AG15C). Intercalator conjugation dramatically enhanced the specific triplex binding avidity (Kd = 5 nM for AG15C and 275 nM for T15C at 25 degrees C, compared to 2 microM for AG15 and > 50 microM for T15 at 25 degrees C), without detectable binding to an inappropriate target sequence. Surprisingly, triplex formation with AG15C occurred at lower Mg2+ concentrations than with T15C. AG15 and AG15C showed rapid Mg2+ dependent self association, but not T15C or T15. T15C triplex formation occurred rapidly (completion in less than 4 min), while AG15C bound to its target sequence more slowly over 20-24 h. Thus, binding constants in the low nanomolar range are now achievable with intercalator conjugated polypurine antiparallel binding oligonucleotides, a prerequisite for biological applications of such agents. PMID:9414402

  5. Thermally Induced Lateral Motion of α-Zirconium Phosphate Layers Intercalated with Hexadecylamines

    NASA Astrophysics Data System (ADS)

    Char, Kookheon

    2005-03-01

    Well-defined intercalated structure, either interdigitated layers or bilayers, of hexadecylamines (HDAs) in a confined space of a highly-functionalized layered material, α- zirconium phosphate (α-ZrP), was prepared and these two distinct intercalated structures can serve as model systems to investigate the interaction of the two monolayers whose amphiphilic tails are adjacent to each other. Acidic functional groups (-POH) on the α-ZrP are in well-ordered array and the number of functional group is quite high (i.e., cationic exchange capacity (CEC) = 664 mmole/100 g, area per one charge site = 0.24 nm^2) enough to realize the bilayers (i.e., discrete two monolayers) of HDAs within the α-ZrP interlayer. We employed the two-step intercalation mechanism for the preparation of well- ordered interdigitated layers as well as the bilayers of alkyl chains attached to both sides of the α-ZrP intergallery. An intriguing lateral motion of the α-ZrP sheets was observed with in-situ SAXS measurements for the interdigitated layer during heating and cooling cycle and verified with TEM. This lateral motion is believed to be due to the transition from the tilted to the untilted conformation of the interdigitated HDA chains and this transition is found to be thermally reversible.

  6. The Molecular Basis of Radial Intercalation during Tissue Spreading in Early Development

    PubMed Central

    Szabó, András; Cobo, Isidoro; Omara, Sharif; McLachlan, Sophie; Keller, Ray; Mayor, Roberto

    2016-01-01

    Summary Radial intercalation is a fundamental process responsible for the thinning of multilayered tissues during large-scale morphogenesis; however, its molecular mechanism has remained elusive. Using amphibian epiboly, the thinning and spreading of the animal hemisphere during gastrulation, here we provide evidence that radial intercalation is driven by chemotaxis of cells toward the external layer of the tissue. This role of chemotaxis in tissue spreading and thinning is unlike its typical role associated with large-distance directional movement of cells. We identify the chemoattractant as the complement component C3a, a factor normally linked with the immune system. The mechanism is explored by computational modeling and tested in vivo, ex vivo, and in vitro. This mechanism is robust against fluctuations of chemoattractant levels and expression patterns and explains expansion during epiboly. This study provides insight into the fundamental process of radial intercalation and could be applied to a wide range of morphogenetic events. PMID:27165554

  7. Effect of Non-ionic Surfactants and Its Role in K Intercalation in Electrolytic Manganese Dioxide

    NASA Astrophysics Data System (ADS)

    Biswal, Avijit; Tripathy, B. C.; Subbaiah, T.; Meyrick, D.; Ionescu, Mihail; Minakshi, Manickam

    2014-09-01

    The effect of non-ionic surface active agents (surfactants) Triton X-100 (TX-100) and Tween-20 (Tw-20) and their role in potassium intercalation in electrolytic manganese dioxide (EMD) produced from manganese cake has been investigated. Electrosynthesis of MnO2 in the absence or presence of surfactant was carried out from acidic MnSO4 solution obtained from manganese cake under optimized conditions. A range of characterization techniques, including field emission scanning electron microscopy, transmission electron microscopy (TEM), Rutherford back scattering (RBS), and BET surface area/porosity studies, was carried out to determine the structural and chemical characteristics of the EMD. Galvanostatic (discharge) and potentiostatic (cyclic voltammetric) studies were employed to evaluate the suitability of EMD in combination with KOH electrolyte for alkaline battery applications. The presence of surfactant played an important role in modifying the physicochemical properties of the EMD by increasing the surface area of the material and hence, enhancing its electrochemical performance. The TEM and RBS analyses of the discharged EMD (γ-MnO2) material showed clear evidence of potassium intercalation or at least the formation of a film on the MnO2 surface. The extent of intercalation was greater for EMD deposited in the presence of TX-100. Discharged MnO2 showed products of Mn2+ intermediates such as MnOOH and Mn3O4.

  8. Perturbation of the Electron Transport Mechanism by Proton Intercalation in Nanoporous TiO2 Films

    SciTech Connect

    Halverson, A. F.; Zhu, K.; Erslev, P. T.; Kim, J. Y.; Neale, N. R.; Frank, A. J.

    2012-04-11

    This study addresses a long-standing controversy about the electron-transport mechanism in porous metal oxide semiconductor films that are commonly used in dye-sensitized solar cells and related systems. We investigated, by temperature-dependent time-of-flight measurements, the influence of proton intercalation on the electron-transport properties of nanoporous TiO{sub 2} films exposed to an ethanol electrolyte containing different percentages of water (0-10%). These measurements revealed that increasing the water content in the electrolyte led to increased proton intercalation into the TiO{sub 2} films, slower transport, and a dramatic change in the dependence of the thermal activation energy (E{sub a}) of the electron diffusion coefficient on the photogenerated electron density in the films. Random walk simulations based on a microscopic model incorporating exponential conduction band tail (CBT) trap states combined with a proton-induced shallow trap level with a long residence time accounted for the observed effects of proton intercalation on E{sub a}. Application of this model to the experimental results explains the conditions under which E{sub a} dependence on the photoelectron density is consistent with multiple trapping in exponential CBT states and under which it appears at variance with this model.

  9. Intercalation of methotrexatum into layered double hydroxides via exfoliation-reassembly process

    NASA Astrophysics Data System (ADS)

    Liu, Su-Qing; Li, Shu-Ping; Li, Xiao-Dong

    2015-03-01

    In this paper, the intercalation of methotrexatum (MTX) into layered double hydroxides (LDHs) via an exfoliation-reassembly process was reported and the resulting hybrids were then characterized by X-ray diffraction (XRD) patterns, Fourier transform infrared (FTIR) spectroscopy and atomic force microscopy (AFM) patterns etc. In the synthesis procedure, LDHs particles were firstly delaminated into well-dispersed 2D nanosheets in formamide by ultrasonic treatment at room temperature, and then the resulting LDH nanosheets were reassembled in MTX solution to form MTX intercalated LDH (MTX/LDHs) hybrids. AFM images showed that during the exfoliation process a large part of LDHs particles were delaminated into single and double brucite layers. XRD patterns and FTIR investigations manifested the successful intercalation of MTX anions into LDHs interlayers for the final samples. It was also found out that the drug-loading capacity of the hybrids increased with the concentrations of MTX solutions, while the morphology became even aggregated. At last, the cell cytotoxicity of the hybrids was estimated by MTT assays on the human lung cancer cells (A549), and the results stated that MTX/LDHs hybrids had effective suppress role on the proliferation of cancer cells.

  10. Postnatal disappearance of type A intercalated cells in carbonic anhydrase II-deficient mice.

    PubMed

    Brion, L P; Suarez, C; Saenger, P

    2001-06-01

    Despite chronic acidosis, collecting ducts in adult carbonic anhydrase II-deficient (CAD mice) are depleted of intercalated cells, including those of type A, which are acid-secreting cells. We hypothesized that this depletion could occur during postnatal development. Principal cells were identified by immunofluorescence using an antibody to rat aquaporin-2 (AQP-2), and type A intercalated cells using an antibody specific for anion exchanger (AE1). In CAD mice the proportion of AQP2-positive cells, normal at 11 days, increased progressively in the cortical (CCD) and outer medullary collecting duct (OMCD), to reach almost 100% in the OMCD in adults. The percentage of AE1-positive cells in the OMCD of CAD mice decreased by half by 6 weeks of age and further by adulthood. In controls, however, the proportion of AQP2-positive cells and that of AE1-positive cells in the OMCD remained stable after 10 days of age. AE1-positive cells accounted for the majority of intercalated cells in the OMCD. The mechanisms leading to selective postnatal cell depletion in the collecting duct in CAD mice remain to be determined.

  11. Synthesis and reversible hydration behavior of the thiosulfate intercalated layered double hydroxide of Zn and Al

    SciTech Connect

    Radha, S.; Milius, Wolfgang; Breu, Josef; Kamath, P. Vishnu

    2013-08-15

    The thiosulfate-intercalated layered double hydroxide of Zn and Al undergoes reversible hydration with a variation in the relative humidity of the ambient. The hydrated and dehydrated phases, which represent the end members of the hydration cycle, both adopt the structure of the 3R{sub 1} polytype. In the intermediate range of relative humidity values (40–60%), the hydrated and dehydrated phases coexist. The end members of the hydration cycle adopt the structure of the same polytype, and vary only in their basal spacings. This points to the possibility that all the intermediate phases have a kinetic origin. - Graphical abstract: Basal spacing evolution of the thiosulfate ion intercalated [Zn–Al] LDH during one complete hydration–dehydration cycle as a function of relative humidity. Display Omitted - Highlights: • Thiosulfate intercalated [Zn–Al] LDHs were synthesized by co-precipitation. • The LDH exhibits reversible hydration with variation in humidity. • Both the end members of the hydration cycle adopt the same polytype structure. • The interstratified intermediates observed are kinetic in origin.

  12. Interplay between intercalated oxygen superstructures and monolayer h -BN on Cu(100)

    NASA Astrophysics Data System (ADS)

    Ma, Chuanxu; Park, Jewook; Liu, Lei; Kim, Yong-Sung; Yoon, Mina; Baddorf, Arthur P.; Gu, Gong; Li, An-Ping

    2016-08-01

    The confinement effect of intercalated atoms in van der Waals heterostructures can lead to interesting interactions between the confined atoms or molecules and the overlaying two-dimensional (2D) materials. Here we report the formation of ordered Cu(100) p (2 ×2 ) oxygen superstructures by oxygen intercalation under the monolayer hexagonal boron nitride (h -BN) on Cu after annealing. By using scanning tunneling microscopy and x-ray photoelectron spectroscopy, we identify the superstructure and reveal its roles in passivating the exposed Cu surfaces, decoupling h -BN and Cu, and disintegrating h -BN monolayers. The oxygen superstructure appears as a 2D pattern on the exposed Cu surface or quasi-1D stripes of paired oxygen intercalated in the interface of h -BN and Cu predominantly oriented along the moiré modulations. The oxygen superstructure is shown to etch the overlaying h -BN monolayer in a thermal annealing process. After extended annealing, the h -BN monolayer disintegrates into nanoislands with zigzag edges. We discuss the implications of these findings on the stability and oxidation resistance of h -BN and relate them to challenges in process integration and 2D heterostructures.

  13. Anion-intercalated layered double hydroxides modified test strips for detection of heavy metal ions.

    PubMed

    Wang, Nan; Sun, Jianchao; Fan, Hai; Ai, Shiyun

    2016-01-01

    In this work, a novel approach for facile and rapid detection of heavy metal ions using anion-intercalated layered double hydroxides (LDHs) modified test strips is demonstrated. By intercalating Fe(CN)6(4-) or S(2-) anions into the interlayers of LDHs on the filter paper, various heavy metal ions can be easily detected based on the color change before and after reaction between the anions and the heavy metal ions. Upon the dropping of heavy metal ions solutions to the test strips, the colors of the test strips changed instantly, which can be easily observed by naked eyes. With the decrease of the concentration, the color depth changed obviously. The lowest detection concentration can be up to 1×10(-6) mol L(-1). Due to the easily intercalation of anions into the interlayer of the LDHs on test trips, this procedure provides a general method for the construction of LDHs modified test strips for detection of heavy metal ions. The stability of the prepared test strips is investigated. Furthermore, all the results were highly reproducible. The test strips may have potential applications in environmental monitoring fields.

  14. 14 CFR 406.143 - Discovery.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 4 2010-01-01 2010-01-01 false Discovery. 406.143 Section 406.143... Transportation Adjudications § 406.143 Discovery. (a) Initiation of discovery. Any party may initiate discovery... after a complaint has been filed. (b) Methods of discovery. The following methods of discovery...

  15. The Discovery Channel Telescope

    NASA Astrophysics Data System (ADS)

    Millis, R. L.; Dunham, E. W.; Sebring, T. A.; Smith, B. W.; de Kock, M.; Wiecha, O.

    2004-11-01

    The Discovery Channel Telescope (DCT) is a 4.2-m telescope to be built at a new site near Happy Jack, Arizona. The DCT features a large prime focus mosaic CCD camera with a 2-degree-diameter field of view especially designed for surveys of KBOs, Centaurs, NEAs and other moving or time-variable targets. The telescope can be switched quickly to a Ritchey-Chretien configuration for optical/IR spectroscopy or near-IR imaging. This flexibility allows timely follow-up physical studies of high priority objects discovered in survey mode. The ULE (ultra-low-expansion) meniscus primary and secondary mirror blanks for the telescope are currently in fabrication by Corning Glass. Goodrich Aerospace, Vertex RSI, M3 Engineering and Technology Corp., and e2v Technologies have recently completed in-depth conceptual design studies of the optics, mount, enclosure, and mosaic focal plane, respectively. The results of these studies were subjected to a formal design review in July, 2004. Site testing at the 7760-ft altitude Happy Jack site began in 2001. Differential image motion observations from 117 nights since January 1, 2003 gave median seeing of 0.84 arcsec FWHM, and the average of the first quartile was 0.62 arcsec. The National Environmental Policy Act (NEPA) process for securing long-term access to this site on the Coconino National Forest is nearing completion and ground breaking is expected in the spring of 2005. The Discovery Channel Telescope is a project of the Lowell Observatory with major financial support from Discovery Communications, Inc. (DCI). DCI plans ongoing television programming featuring the construction of the telescope and the research ultimately undertaken with the DCT. An additional partner can be accommodated in the project. Interested parties should contact the lead author.

  16. Drug discovery in jeopardy

    PubMed Central

    Cuatrecasas, Pedro

    2006-01-01

    Despite striking advances in the biomedical sciences, the flow of new drugs has slowed to a trickle, impairing therapeutic advances as well as the commercial success of drug companies. Reduced productivity in the drug industry is caused mainly by corporate policies that discourage innovation. This is compounded by various consequences of mega-mergers, the obsession for blockbuster drugs, the shift of control of research from scientists to marketers, the need for fast sales growth, and the discontinuation of development compounds for nontechnical reasons. Lessons from the past indicate that these problems can be overcome, and herein, new and improved directions for drug discovery are suggested. PMID:17080187

  17. Discovery by the examiner

    SciTech Connect

    Walterscheid, E.C.

    1981-01-01

    The Manual of Patent Examining Procedure (M.P.E.P.), 4th Edition now has a chapter 2100 on patentability. At present this chapter only contains sections dealing with Patentable Subject Matter - Microorganisms and the Statutory Bars of Public Use and On Sale (35 U.S.C. 102(b), but it is the intent of the Patent and Trademark Office to expand its content as future revisions of the M.P.E.P. are issued. The requirement for information provisions of chapter 2100 - if they are upheld on judicial review - portend a significant change in the relationship of the examiner and the applicant in ex parte prosecution. In view of the fact that the Office positions which appear to herald this change have been adopted without public review or comment, it is imperative that members of the patent bar review them critically and express their concerns to the Office. Simply put, although the M.P.E.P. carefully avoids any use of the term, the Office in chapter 2100 is indicating that an examiner has a right of discovery in ex parte prosecution. Accordingly, the purpose of this article is to discuss the extent to which the Office is attempting to sanction discovery by examiners. In particular, it will explore certain of the ramifications of the requirement for information provisions of chapter 2100. It will begin by outlining the requirements for information in ex parte prosecution which are expressly permitted by the rules of practice. It will then review the authority for discovery requirements in ex parte prosecution and consider the sanction for failure to meet such a requirement. Some consideration will then be given to the extent and effect of a requirement for information presented under the aegis of chapter 2100. The potential for Office discovery in the prosecution of reissue applications will be briefly examined. Finally, the failure of the Office to seek public review or comment in presenting the requirement for information provisions of chapter 2100 will be briefly discussed.

  18. Network discovery with DCM

    PubMed Central

    Friston, Karl J.; Li, Baojuan; Daunizeau, Jean; Stephan, Klaas E.

    2011-01-01

    This paper is about inferring or discovering the functional architecture of distributed systems using Dynamic Causal Modelling (DCM). We describe a scheme that recovers the (dynamic) Bayesian dependency graph (connections in a network) using observed network activity. This network discovery uses Bayesian model selection to identify the sparsity structure (absence of edges or connections) in a graph that best explains observed time-series. The implicit adjacency matrix specifies the form of the network (e.g., cyclic or acyclic) and its graph-theoretical attributes (e.g., degree distribution). The scheme is illustrated using functional magnetic resonance imaging (fMRI) time series to discover functional brain networks. Crucially, it can be applied to experimentally evoked responses (activation studies) or endogenous activity in task-free (resting state) fMRI studies. Unlike conventional approaches to network discovery, DCM permits the analysis of directed and cyclic graphs. Furthermore, it eschews (implausible) Markovian assumptions about the serial independence of random fluctuations. The scheme furnishes a network description of distributed activity in the brain that is optimal in the sense of having the greatest conditional probability, relative to other networks. The networks are characterised in terms of their connectivity or adjacency matrices and conditional distributions over the directed (and reciprocal) effective connectivity between connected nodes or regions. We envisage that this approach will provide a useful complement to current analyses of functional connectivity for both activation and resting-state studies. PMID:21182971

  19. Causality discovery technology

    NASA Astrophysics Data System (ADS)

    Chen, M.; Ertl, T.; Jirotka, M.; Trefethen, A.; Schmidt, A.; Coecke, B.; Bañares-Alcántara, R.

    2012-11-01

    Causality is the fabric of our dynamic world. We all make frequent attempts to reason causation relationships of everyday events (e.g., what was the cause of my headache, or what has upset Alice?). We attempt to manage causality all the time through planning and scheduling. The greatest scientific discoveries are usually about causality (e.g., Newton found the cause for an apple to fall, and Darwin discovered natural selection). Meanwhile, we continue to seek a comprehensive understanding about the causes of numerous complex phenomena, such as social divisions, economic crisis, global warming, home-grown terrorism, etc. Humans analyse and reason causality based on observation, experimentation and acquired a priori knowledge. Today's technologies enable us to make observations and carry out experiments in an unprecedented scale that has created data mountains everywhere. Whereas there are exciting opportunities to discover new causation relationships, there are also unparalleled challenges to benefit from such data mountains. In this article, we present a case for developing a new piece of ICT, called Causality Discovery Technology. We reason about the necessity, feasibility and potential impact of such a technology.

  20. Automated Supernova Discovery (Abstract)

    NASA Astrophysics Data System (ADS)

    Post, R. S.

    2015-12-01

    (Abstract only) We are developing a system of robotic telescopes for automatic recognition of Supernovas as well as other transient events in collaboration with the Puckett Supernova Search Team. At the SAS2014 meeting, the discovery program, SNARE, was first described. Since then, it has been continuously improved to handle searches under a wide variety of atmospheric conditions. Currently, two telescopes are used to build a reference library while searching for PSN with a partial library. Since data is taken every night without clouds, we must deal with varying atmospheric and high background illumination from the moon. Software is configured to identify a PSN, reshoot for verification with options to change the run plan to acquire photometric or spectrographic data. The telescopes are 24-inch CDK24, with Alta U230 cameras, one in CA and one in NM. Images and run plans are sent between sites so the CA telescope can search while photometry is done in NM. Our goal is to find bright PSNs with magnitude 17.5 or less which is the limit of our planned spectroscopy. We present results from our first automated PSN discoveries and plans for PSN data acquisition.

  1. Drug discovery today.

    PubMed

    Schwardt, Oliver; Kolb, Hartmuth; Ernst, Beat

    2003-01-01

    In recent years, tools for the development of new drugs have been dramatically improved. These include genomic and proteomic research, numerous biophysical methods, combinatorial chemistry and screening technologies. In addition, early ADMET studies are employed in order to significantly reduce the failure rate in the development of drug candidates. As a consequence, the lead finding, lead optimization and development process has gained marked enhancement in speed and efficiency. In parallel to this development, major pharma companies are increasingly outsourcing many components of drug discovery research to biotech companies. All these measures are designed to address the need for a faster time to market. New screening methodologies have contributed significantly to the efficiency of the drug discovery process. The conventional screening of single compounds or compound libraries has been dramatically accelerated by high throughput screening methods. In addition, in silico screening methods allow the evaluation of virtual compounds. A wide range of new lead finding and lead optimization opportunities result from novel screening methods by NMR, which are the topic of this review article.

  2. Thermoelectric properties of nickel and titanium co-intercalated titanium diselenide

    NASA Astrophysics Data System (ADS)

    Holgate, Timothy Charles

    Thermoelectric materials are involved in the direct conversion between thermal and electrical energy. They may be used to generate power from a thermal gradient or to pump heat in or out of a system when driven with DC power. Much of the recent advances in thermoelectric research have been in materials whose thermoelectric efficiency has been optimized at temperatures above room temperature where power generation is the main application. The question that I seek to answer in this dissertation is to use our standard experimental techniques in order to assess the possibility of a class of transition metal dichalcogenides bases on TiSe2 that are suitable candidates for thermoelectric applications. In addition, a further question is to understand the individual roles of intercalating titanium and nickel into the van der Waal planes of these materials and to investigate their effects on the electrical and thermal transport properties as well as the structure (including microstructure) of these materials. The work presented herein has focused on deriving a thermoelectric material with a maximum ZT in the temperature range between 100 K and room temperature. Some of the niche applications of thermoelectric cooling in this temperature range include high-speed computing, active cooling of detectors, and most importantly, in the region of 100 to 120 K, the viability of superconducting electronic systems without the need of liquefied gasses. Transition metal dichalcogenides are layered structures with a weakly bonded van der Waals gap between a-b planes. This gap may be intercalated by many different atomic and molecular species, which may significantly affect the structural and transport properties. Intercalation therefore provides a wide-ranging tuning "knob" for optimizing the thermal and electrical transport properties of the host material. Several compounds chosen from this group of materials were synthesized and intercalated with 3d and 4d transition metals. Thermal and

  3. Discovery and Classification in Astronomy

    NASA Astrophysics Data System (ADS)

    Dick, Steven J.

    2012-01-01

    Three decades after Martin Harwit's pioneering Cosmic Discovery (1981), and following on the recent IAU Symposium "Accelerating the Rate of Astronomical Discovery,” we have revisited the problem of discovery in astronomy, emphasizing new classes of objects. 82 such classes have been identified and analyzed, including 22 in the realm of the planets, 36 in the realm of the stars, and 24 in the realm of the galaxies. We find an extended structure of discovery, consisting of detection, interpretation and understanding, each with its own nuances and a microstructure including conceptual, technological and social roles. This is true with a remarkable degree of consistency over the last 400 years of telescopic astronomy, ranging from Galileo's discovery of satellites, planetary rings and star clusters, to the discovery of quasars and pulsars. Telescopes have served as "engines of discovery” in several ways, ranging from telescope size and sensitivity (planetary nebulae and spiral galaxies), to specialized detectors (TNOs) and the opening of the electromagnetic spectrum for astronomy (pulsars, pulsar planets, and most active galaxies). A few classes (radiation belts, the solar wind and cosmic rays), were initially discovered without the telescope. Classification also plays an important role in discovery. While it might seem that classification marks the end of discovery, or a post-discovery phase, in fact it often marks the beginning, even a pre-discovery phase. Nowhere is this more clearly seen than in the classification of stellar spectra, long before dwarfs, giants and supergiants were known, or their evolutionary sequence recognized. Classification may also be part of a post-discovery phase, as in the MK system of stellar classification, constructed after the discovery of stellar luminosity classes. Some classes are declared rather than discovered, as in the case of gas and ice giant planets, and, infamously, Pluto as a dwarf planet.

  4. Hubble: 20 Years of Discovery

    NASA Video Gallery

    Hubble's discoveries have revolutionized nearly all areas of current astronomical research from planetary science to cosmology. Actor and writer Brent Spiner narrates a visual journey back in time ...

  5. Bioanalysis in oncology drug discovery.

    PubMed

    Srinivas, Nuggehally R; Mullangi, Ramesh

    2015-01-01

    Bioanalysis is an important aspect of drug discovery process regardless of the chosen therapeutic area. There is a general misconception that bioanalysis is seldom important during the drug discovery process because there is no scrutiny of the data from a regulatory perspective. However, bioanalytical data gathered during the discovery stage enable several key decision(s) inclusive of termination of the program and/or creating adequate differentiation from the lead competitive molecules. The review covers various stage gate screens and experimental designs where bioanalytical data are extensively used for making an informed decision during the process of drug discovery.

  6. Optogenetics enlightens neuroscience drug discovery.

    PubMed

    Song, Chenchen; Knöpfel, Thomas

    2016-02-01

    Optogenetics - the use of light and genetics to manipulate and monitor the activities of defined cell populations - has already had a transformative impact on basic neuroscience research. Now, the conceptual and methodological advances associated with optogenetic approaches are providing fresh momentum to neuroscience drug discovery, particularly in areas that are stalled on the concept of 'fixing the brain chemistry'. Optogenetics is beginning to translate and transit into drug discovery in several key domains, including target discovery, high-throughput screening and novel therapeutic approaches to disease states. Here, we discuss the exciting potential of optogenetic technologies to transform neuroscience drug discovery.

  7. Centennial of Metchnikoff's discovery.

    PubMed

    Heifets, L

    1982-05-01

    Phagocytosis was discovered by Elie Metchnikoff (Ilia Mechnikov) in 1882. Although the phenomenon of endocytosis by the leukocytes (more related to the pinocytosis) had been described 30 years earlier [8], it was Metchnikoff who explained its function, and alerted the scientific community to the importance of phagocytosis in immunity. He devoted most of his life to studying different aspects of phagocytosis and related immunological phenomena. It required 25 years of intense effort to achieve recognition of the phagocytosis theory, the first experimentally based theory in immunology. This struggle culminated in 1908 with the awarding of the Nobel Prize to Metchnikoff and Ehrlich for their two theories of immunity, "cellular" and "humoral," respectively. That was an official recognition of the existence and importance of immunology, but modern immunology began at the moment of Metchnikoff's discovery, which is why 1982 may be considered the 100th year anniversary of immunology. PMID:6750115

  8. Discovery of cosmic rays

    NASA Astrophysics Data System (ADS)

    Carlson, Per

    2013-02-01

    The mysterious invisible radiation that ionized air was studied a century ago by many scientists. Finally, on 7 August 1912, Victor Hess in his seventh balloon flight that year, reached an altitude of about 5000 m. With his electroscopes on board the hydrogen-filled balloon he observed that the ionization instead of decreasing with altitude increased significantly. Hess had discovered cosmic rays, a discovery that gave him the 1936 Nobel Prize in physics. When research resumed after World War I focus was on understanding the nature of the cosmic radiation. Particles or radiation? Positive or negative? Electrons, positrons or protons? Progress came using new instruments like the Geiger-Muller tube and around 1940 it was clear that cosmic rays were mostly protons.

  9. Drug discovery FAQs: workflows for answering multidomain drug discovery questions.

    PubMed

    Chichester, Christine; Digles, Daniela; Siebes, Ronald; Loizou, Antonis; Groth, Paul; Harland, Lee

    2015-04-01

    Modern data-driven drug discovery requires integrated resources to support decision-making and enable new discoveries. The Open PHACTS Discovery Platform (http://dev.openphacts.org) was built to address this requirement by focusing on drug discovery questions that are of high priority to the pharmaceutical industry. Although complex, most of these frequently asked questions (FAQs) revolve around the combination of data concerning compounds, targets, pathways and diseases. Computational drug discovery using workflow tools and the integrated resources of Open PHACTS can deliver answers to most of these questions. Here, we report on a selection of workflows used for solving these use cases and discuss some of the research challenges. The workflows are accessible online from myExperiment (http://www.myexperiment.org) and are available for reuse by the scientific community.

  10. High-resolution {sup 13}C nuclear magnetic resonance evidence of phase transition of Rb,Cs-intercalated single-walled nanotubes

    SciTech Connect

    Bouhrara, M.; Saih, Y.; Waagberg, T.; Goze-Bac, C.; Abou-Hamad, E.

    2011-09-01

    We present 13 C high-resolution magic-angle-turning (MAT) and magic angle spinning nuclear magnetic resonance data of Cs and Rb intercalated single walled carbon nanotubes. We find two distinct phases at different intercalation levels. A simple charge transfer is applicable at low intercalation level. The new phase at high intercalation level is accompanied by a hybridization of alkali (s) orbitals with the carbon (sp2) orbitals of the single walled nanotubes, which indicate bundle surface sites is the most probable alkali site.

  11. X-Ray Studies of Layer Rigidity and C-Axis Expansion in Intercalated Layered Solids.

    NASA Astrophysics Data System (ADS)

    Lee, Soonil

    From X-ray diffraction and Raman active torsional model frequency studies the new synthetic vermiculite intercalation compounds, ((CH_3)_4N ^+) _{rm x} ((CH_3)_3NH ^+) _{rm 1-x} -Vm, are determined to have a solid solution type mixed gallery cation distribution. The x dependence of the normalized basal spacing, d_{rm n}(x), of ternary pillared vermiculite ((CH_3)_4 N^+) _{ rm x} ((CH_3)_3 NH^+) _{ rm 1-x}-Vm has been measured and compared with that of Cs_{rm x}Rb _{rm 1-x}-Vm. Both systems exhibit a nonlinear d_{rm n}(X) with approximate thresholds of x ~ 0.2 and 0.5, respectively. A model which relates d_{rm n}(x) to layer rigidity and the binding energies of gallery and defect sites yields excellent fits to the basal spacing data and to monolayer simulations if collective effects are included. We also have constructed a plot of the normalized basal spacing versus normalized torsional model frequency for two vermiculite intercalation compounds, Cs _{rm x}Rb_ {rm 1-x}-Vm and ((CH_3) _4N^+) _ {rm x} ((CH_3)_3 NH^+) _{ rm 1-x}-Vm. This plot shows a striking "scaling-like"behavior for the two different mixed-ion systems. An attempt to understand this behavior based on the virtual crystal approximation has been made. This mode calculation reveals a very close relationship between the basal spacing and the gallery ion-oxygen interaction. A layer rigidity model which includes the effects of elastic deformation of the host layers is applied to a variety of layered intercalation compounds. This model can account for the composition dependence of the c-axis expansion of the three classes of layered solids. Rigidity parameters deduced from this model for each of the three classes of layered solid are reflective of structurally derived rigidity as are the healing lengths computed on the basis of discrete and continuum analyses. Using the continuum elastic theory the attractive intralayer interaction in intercalation compounds is calculated to show the contribution of each

  12. Academic Freedom and Civil Discovery.

    ERIC Educational Resources Information Center

    Hoornstra, Charles D.; Liethen, Michael A.

    1984-01-01

    The ability of a university to do research free from undue interference is discussed in light of two court cases: Buchanan vs. American Motors Corp. and Dow Chemical Co. vs. Allen. Their principal significance lies in sparing nonparty researchers from the discovery process notwithstanding the acknowledged breadth of discovery. (MLW)

  13. Discovery Learning Strategies in English

    ERIC Educational Resources Information Center

    Singaravelu, G.

    2012-01-01

    The study substantiates that the effectiveness of Discovery Learning method in learning English Grammar for the learners at standard V. Discovery Learning is particularly beneficial for any student learning a second language. It promotes peer interaction and development of the language and the learning of concepts with content. Reichert and…

  14. Self Assessment and Discovery Learning

    ERIC Educational Resources Information Center

    McDonald, Betty

    2011-01-01

    Discovery learning in higher education has been reported to be effective in assisting learners to understand difficult concepts and retain long term information. This paper seeks to illustrate how one self assessment model may be used to demonstrate discovery learning in a collaborative atmosphere of students sharing and getting to know each…

  15. Discovery Reconceived: Product before Process

    ERIC Educational Resources Information Center

    Abrahamson, Dor

    2012-01-01

    Motivated by the question, "What exactly about a mathematical concept should students discover, when they study it via discovery learning?", I present and demonstrate an interpretation of discovery pedagogy that attempts to address its criticism. My approach hinges on decoupling the solution process from its resultant product. Whereas theories of…

  16. Effect of Metal Ion Intercalation on the Structure of MXenes and its Impact on the Dynamics of Water in MXenes

    NASA Astrophysics Data System (ADS)

    Osti, Naresh; Naguib, Micheal; Ostadhossein, Alireza; van Duin, Adri; Gogotsi, Yury; Wesolowski, David; Mamontov, Eugene

    MXenes are two-dimensional materials of sheet-like morphology invented as an alternative to graphene with a potential for energy applications. Because of the heterogeneous bonding between different species and the presence of surface functionalities, MXenes can be intercalated with different chemical species including metal ions and water. The presence of water in MXenes even at ambient conditions impacts their properties relevant to technical applications. Therefore, it is important to understand how intercalants change the structure of MXene and the behavior of water in these materials. Here, using different scattering techniques (x-ray and neutron), we found that intercalation of MXenes with potassium ion increases the c- lattice parameter, yielding a more homogeneous structure with higher water uptake compared to pristine MXenes. In the latter, inhomogeneous structure was observed, with most water residing between the MXenes stacks rather than in between the layers. We found a two orders of magnitude reduction in the diffusion coefficient of water resulting from potassium intercalation, which is in good agreement with the values predicted from ReaxFF simulation. Consequences of improved homogeneity on the water dynamics following metal ion intercalation will be discussed..

  17. Exploring multiple binding sites of an indoloquinoline in triple-helical DNA: a paradigm for DNA triplex-selective intercalators.

    PubMed

    Dickerhoff, Jonathan; Riechert-Krause, Fanny; Seifert, Jenny; Weisz, Klaus

    2014-12-01

    Employing NMR spectroscopic methods preferred binding sites of a triplex-selective indoloquinoline drug were examined with three DNA triplex targets. To directly derive and evaluate number and type of the different sites of interaction, studies were performed on short triple-helical constructs specifically labeled with 3-(15)N thymidine probes. The detection and assignment of several coexisting species was enabled through the observation of slow exchange on the chemical shift timescale between complexes and free triplex. In general, the 5'-triplex-duplex junction constitutes the most favorable intercalation site, in particular when flanked by a TAT base triad. NMR data also revealed two different orientations for the intercalating indoloquinoline drug. Binding affinity significantly decreases with a C(+)GC triad bordering the junction but junction binding is still preferred over intercalation between TAT base triads within the triplex stem. In addition to the intercalation between two uncharged TAT triplets, intercalation between a TAT and a 3'-terminal C(+)GC triplet was also observed, indicating a non-protonated third strand cytosine at the triplex end position.

  18. Transmission Electron Microscopy and First Principle Studies Investigating Intercalation Phenomenon Of Vanadium Pentoxide(V2O5) nanowire cathode

    NASA Astrophysics Data System (ADS)

    Mukherjee, Arijita; Asayesh Ardakani, Hasti; Yi, Tanghong; Kim, Cheon Jung; Andrews, Justin; Banerjee, Sarbajit; Cabana, Jordi; S Yassar, Reza; F Klie, Robert; Jcesr Collaboration

    Vanadium Pentoxide(V2O5) is an attractive intercalation compound due to its characteristic layered structure from weak vanadium-oxygen bonding which enables the intercalation of ions between the layers. Here, we will discuss an in-situ transmission electron microscopy and electron energy-loss spectroscopy approach investigating lithiation of orthorhombic α-V2O5 nanowires where the center of the nanowire undergoes a transformation to γ-Li2V2O5 phase. Since V2O5 has also been predicted as a potential cathode host for magnesium ion intercalation, we also investigate Mg intercalation in α-V2O5 nanowire and determine if our reaction pathway leads to the formation of ε-Mg0.5V2O5 phase, as predicted by density functional theory calculations. In-situ Li and Mg intercalation experiments into the new tunnel structured ζ- V2O5 nanowires will also be presented and the resulting phases will be compared with theoretical predictions. This work is supported by Joint Center for Energy Storage Research (JCESR).

  19. Size-Controlled Intercalation-to-Conversion Transition in Lithiation of Transition-Metal Chalcogenides-NbSe3.

    PubMed

    Luo, Langli; Zhao, Benliang; Xiang, Bin; Wang, Chong-Min

    2016-01-26

    Transition-metal chalcogenides (TMCs) can be used either as intercalation cathodes or as conversion-type anodes for lithium ion batteries, for which two distinctively different lithiation reaction mechanisms govern the electrochemical performance of TMCs. However, the factors that control the transition of lithiation mechanisms remain elusive. In this work, we investigated the lithiation process of NbSe3 ribbons using in situ transmission electron microscopy and observed a size-dependent transition from intercalation to the conversion reaction. Large NbSe3 ribbons can accommodate high concentrations of Li(+) through intercalation by relaxing their internal spacing, while lithiation of small NbSe3 ribbons proceeds readily to full conversion. We found that the size-dependent variation of the lithiation mechanism is associated with both Li(+) diffusion in NbSe3 and the accommodation of newly formed phases. For large NbSe3 ribbons, the intercalation-to-conversion transition is impeded by both long-range Li(+) diffusion and large-scale accommodation of volume expansion induced by the formation of new phases. These results demonstrate the inherent structural instability of NbSe3 as an intercalation cathode and its high lithiation rate as a promising conversion-type anode.

  20. Stability of bromine, iodine monochloride, copper (II) chloride, and nickel (II) chloride intercalated pitch-based graphite fibers

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Slabe, Melissa E.; Shaffer, Nanette

    1987-01-01

    Four different grades of pitch-based graphite fibers (Amoco P-55, P-75, P-100. and P-120) were intercalated with each of four different intercalates: bromine (Br2), iodine monochloride (ICl), copper (II) chloride (CuCl2), and nickel (II) chloride (NiCl2). The P-55 fibers did not react with Br2 or NiCl2, and the P-75 did not react with NiCl2. The stability of the electrical resistance of the intercalated fibers was monitored over long periods of time in ambient, high humidity (100 percent at 60 C), vacuum (10 to the -6 torr), and high temperature (up to 400 C) conditions. Fibers with lower graphitization form graphite intercalation compounds (GIC's) which are more stable than those with higher graphitization (i.e., P-55 (most stable) greater than P-75 greater than P-100 greater than P-120 (least stable). Br2 formed the most stable GIC's followed in order of decreasing stability by ICl, CuCl2, and NiCl2. While Br2 GIC's had the most stability, ICl had the advantages of forming GIC's with slightly greater reduction in resistance (by about 10%) than Br2, and the ability to intercalate P-55 fiber. Transition metal chlorides are susceptible to water vapor and high temperature. The stability of fibers in composites differs.

  1. Rare earth and zinc layered hydroxide salts intercalated with the 2-aminobenzoate anion as organic luminescent sensitizer

    SciTech Connect

    Cursino, Ana Cristina Trindade; Rives, Vicente; Trujillano, Raquel

    2015-10-15

    Rare earth (RE = Eu, Y and Tb) and zinc layered hydroxide salts intercalated with nitrate anions were synthesized, followed by exchange with 2-aminobenzoate. The UV absorption ability was improved after intercalation/grafting in relation to that shown by the parent material. - Highlights: • Rare earth (RE = Eu, Y and Tb) and zinc layered hydroxide were synthesized. • Intercalated nitrate anions were exchanged by 2-aminobenzoate. • In all the 2-aminobenzoate containing compounds, the grafting reaction was detected. • The UV absorption ability was improved after the exchange reactions. • Rare earth hydroxide salts are potential matrixes to produce luminescent materials. - Abstract: Rare earth (RE = Eu, Y and Tb) and zinc layered hydroxide salts intercalated with nitrate anions were synthesized, followed by exchange with 2-aminobenzoate. The obtained compounds were characterized by powder X-ray diffraction (PXRD), Fourier transform infrared (FTIR) and ultraviolet visible (UV–vis) spectroscopies, fluorescence measurements and thermal analysis (TGA/DTA). The results from FTIR spectroscopy suggest a direct coordination of 2-aminobenzoate to the metal cations of the inorganic layered structure. The organic derivative products from the intercalation reactions absorb a broader range of UV-light in relation to that shown by the parent material; the photoluminescence measurements present a strong violet, blue and green luminescence under UV-light excitation for layered compounds with, Zn, Y and Tb, respectively. Rare earth hydroxide salts (RE-LHS) are potential alternative matrices for the immobilization of organic species to produce luminescent materials.

  2. Hydrogen intercalation of single and multiple layer graphene synthesized on Si-terminated SiC(0001) surface

    SciTech Connect

    Sołtys, Jakub; Piechota, Jacek; Ptasinska, Maria; Krukowski, Stanisław

    2014-08-28

    Ab initio density functional theory simulations were used to investigate the influence of hydrogen intercalation on the electronic properties of single and multiple graphene layers deposited on the SiC(0001) surface (Si-face). It is shown that single carbon layer, known as a buffer layer, covalently bound to the SiC substrate, is liberated after hydrogen intercalation, showing characteristic Dirac cones in the band structure. This is in agreement with the results of angle resolved photoelectron spectroscopy measurements of hydrogen intercalation of SiC-graphene samples. In contrast to that hydrogen intercalation has limited impact on the multiple sheet graphene, deposited on Si-terminated SiC surface. The covalently bound buffer layer is liberated attaining its graphene like structure and dispersion relation typical for multilayer graphene. Nevertheless, before and after intercalation, the four layer graphene preserved the following dispersion relations in the vicinity of K point: linear for (AAAA) stacking, direct parabolic for Bernal (ABAB) stacking and “wizard hat” parabolic for rhombohedral (ABCA) stacking.

  3. The influence of intercalated oxygen on the properties of graphene on polycrystalline Cu under various environmental conditions.

    PubMed

    Blume, Raoul; Kidambi, Piran R; Bayer, Bernhard C; Weatherup, Robert S; Wang, Zhu-Jun; Weinberg, Gisela; Willinger, Marc-Georg; Greiner, Mark; Hofmann, Stephan; Knop-Gericke, Axel; Schlögl, Robert

    2014-12-21

    Intercalation of oxygen at the interface of graphene grown by chemical vapour deposition and its polycrystalline copper catalyst can have a strong impact on the electronic, chemical and structural properties of both the graphene and the Cu. This can affect the oxidation resistance of the metal as well as subsequent graphene transfer. Here, we show, using near ambient pressure X-ray photoelectron spectroscopy (NAP-XPS), X-ray absorption near edge spectroscopy (XANES), energy dispersive X-ray spectroscopy (EDX) and (environmental) scanning electron microscopy (ESEM) that both the oxygen intercalation and de-intercalation are kinetically driven and can be clearly distinguished from carbon etching. The obtained results reveal that a charge transfer between as grown graphene and Cu can be annulled by intercalating oxygen creating quasi-free-standing graphene. This effect is found to be reversible on vacuum annealing proceeding via graphene grain boundaries and defects within the graphene but not without loss of graphene by oxidative etching for repeated (de-)intercalation cycles. PMID:25356600

  4. Synthesis and investigation of magnetic nanocomposite of Fe3O4 with cetirizine-intercalated layered double hydroxide

    NASA Astrophysics Data System (ADS)

    Nejati, K.; Davaran, S.; Baggalzadeh, R.

    2014-11-01

    In this research work the nanocomposite CT-LDH/Fe3O4 was prepared by deposition of cetirizine (CT) intercalated-Mg-Al layered double hydroxide (LDH) on Fe3O4 using a co-precipitation method for sustained drug-targeting delivery. The obtained products were characterized by the variety of methods such as (XRD), (FT-IR), (TG) and the elemental analysis. The size and morphology of nanoparticles were examined by the transmission electron microscopy (TEM). The XRD results, showed the coexistence of the strong diffractions of Fe3O4 and cetirizine intercalated LDH. Also, after intercalation, the basal spacing of LDH increased from 0.88 nm to 2.52 nm, indicating that cetirizine anions were successfully intercalated into the interlayer space of LDH as a monolayer. The thermal gravimetric studies indicate the thermal stability of cetirizine molecule has increased with intercalation. In vitro drug release experiments in phosphate buffer solution (pH = 7.4) have been investigated. Magnetic measurements revealed that the nanocomposite displayed superparamagnetic properties at room temperature.

  5. Classical Keggin Intercalated into Layered Double Hydroxides: Facile Preparation and Catalytic Efficiency in Knoevenagel Condensation Reactions.

    PubMed

    Jia, Yueqing; Fang, Yanjun; Zhang, Yingkui; Miras, Haralampos N; Song, Yu-Fei

    2015-10-12

    The family of polyoxometalate (POM) intercalated layered double hydroxide (LDH) composite materials has shown great promise for the design of functional materials with numerous applications. It is known that intercalation of the classical Keggin polyoxometalate (POM) of [PW12 O40 ](3-) (PW12 ) into layered double hydroxides (LDHs) is very unlikely to take place by conventional ion exchange methods due to spatial and geometrical restrictions. In this paper, such an intercalated compound of Mg0.73 Al0.22 (OH)2 [PW12 O40 ]0.04 ⋅0.98 H2 O (Mg3 Al-PW12 ) has been successfully obtained by applying a spontaneous flocculation method. The Mg3 Al-PW12 has been fully characterized by using a wide range of methods (XRD, SEM, TEM, XPS, EDX, XPS, FT-IR, NMR, BET). XRD patterns of Mg3 Al-PW12 exhibit no impurity phase usually observed next to the (003) diffraction peak. Subsequent application of the Mg3 Al-PW12 as catalyst in Knoevenagel condensation reactions of various aldehydes and ketones with Z-CH2 -Z' type substrates (ethyl cyanoacetate and malononitrile) at 60 °C in mixed solvents (V2-propanol :Vwater =2:1) demonstrated highly efficient catalytic activity. The synergistic effect between the acidic and basic sites of the Mg3 Al-PW12 composite proved to be crucial for the efficiency of the condensation reactions. Additionally, the Mg3 Al-PW12 -catalyzed Knoevenagel condensation of benzaldehyde with ethyl cyanoacetate demonstrated the highest turnover number (TON) of 47 980 reported so far for this reaction.

  6. Renal type a intercalated cells contain albumin in organelles with aldosterone-regulated abundance.

    PubMed

    Jensen, Thomas Buus; Cheema, Muhammad Umar; Szymiczek, Agata; Damkier, Helle Hasager; Praetorius, Jeppe

    2015-01-01

    Albumin has been identified in preparations of renal distal tubules and collecting ducts by mass spectrometry. This study aimed to establish whether albumin was a contaminant in those studies or actually present in the tubular cells, and if so, identify the albumin containing cells and commence exploration of the origin of the intracellular albumin. In addition to the expected proximal tubular albumin immunoreactivity, albumin was localized to mouse renal type-A intercalated cells and cells in the interstitium by three anti-albumin antibodies. Albumin did not colocalize with markers for early endosomes (EEA1), late endosomes/lysosomes (cathepsin D) or recycling endosomes (Rab11). Immuno-gold electron microscopy confirmed the presence of albumin-containing large spherical membrane associated bodies in the basal parts of intercalated cells. Message for albumin was detected in mouse renal cortex as well as in a wide variety of other tissues by RT-PCR, but was absent from isolated connecting tubules and cortical collecting ducts. Wild type I MDCK cells showed robust uptake of fluorescein-albumin from the basolateral side but not from the apical side when grown on permeable support. Only a subset of cells with low peanut agglutinin binding took up albumin. Albumin-aldosterone conjugates were also internalized from the basolateral side by MDCK cells. Aldosterone administration for 24 and 48 hours decreased albumin abundance in connecting tubules and cortical collecting ducts from mouse kidneys. We suggest that albumin is produced within the renal interstitium and taken up from the basolateral side by type-A intercalated cells by clathrin and dynamin independent pathways and speculate that the protein might act as a carrier of less water-soluble substances across the renal interstitium from the capillaries to the tubular cells.

  7. Rapid exchange between atmospheric CO2 and carbonate anion intercalated within magnesium rich layered double hydroxide.

    PubMed

    Sahoo, Pathik; Ishihara, Shinsuke; Yamada, Kazuhiko; Deguchi, Kenzo; Ohki, Shinobu; Tansho, Masataka; Shimizu, Tadashi; Eisaku, Nii; Sasai, Ryo; Labuta, Jan; Ishikawa, Daisuke; Hill, Jonathan P; Ariga, Katsuhiko; Bastakoti, Bishnu Prasad; Yamauchi, Yusuke; Iyi, Nobuo

    2014-10-22

    The carbon cycle, by which carbon atoms circulate between atmosphere, oceans, lithosphere, and the biosphere of Earth, is a current hot research topic. The carbon cycle occurring in the lithosphere (e.g., sedimentary carbonates) is based on weathering and metamorphic events so that its processes are considered to occur on the geological time scale (i.e., over millions of years). In contrast, we have recently reported that carbonate anions intercalated within a hydrotalcite (Mg0.75Al0.25(OH)2(CO3)0.125·yH2O), a class of a layered double hydroxide (LDH), are dynamically exchanging on time scale of hours with atmospheric CO2 under ambient conditions. (Ishihara et al., J. Am. Chem. Soc. 2013, 135, 18040-18043). The use of (13)C-labeling enabled monitoring by infrared spectroscopy of the dynamic exchange between the initially intercalated (13)C-labeled carbonate anions and carbonate anions derived from atmospheric CO2. In this article, we report the significant influence of Mg/Al ratio of LDH on the carbonate anion exchange dynamics. Of three LDHs of various Mg/Al ratios of 2, 3, or 4, magnesium-rich LDH (i.e., Mg/Al ratio = 4) underwent extremely rapid exchange of carbonate anions, and most of the initially intercalated carbonate anions were replaced with carbonate anions derived from atmospheric CO2 within 30 min. Detailed investigations by using infrared spectroscopy, scanning electron microscopy, powder X-ray diffraction, elemental analysis, adsorption, thermogravimetric analysis, and solid-state NMR revealed that magnesium rich LDH has chemical and structural features that promote the exchange of carbonate anions. Our results indicate that the unique interactions between LDH and CO2 can be optimized simply by varying the chemical composition of LDH, implying that LDH is a promising material for CO2 storage and/or separation.

  8. Synthesis, characterization, and controlled release anticorrosion behavior of benzoate intercalated Zn-Al layered double hydroxides

    SciTech Connect

    Wang, Yi; Zhang, Dun

    2011-11-15

    Graphical abstract: The benzoate anion released from Zn-Al LDHs provides a more effective long-term protection against corrosion of Q235 carbon steel in 3.5% NaCl solution. Highlights: {yields} A benzoate anion corrosion inhibitor intercalated Zn-Al layered double hydroxides (LDHs) has been assembled by coprecipitation method. {yields} The kinetic simulation indicates that the ion-exchange one is responsible for the release process and the diffusion through particle is the rate limiting step. {yields} A significant reduction of the corrosion rate is observed when the LDH nanohybrid is present in the corrosive media. -- Abstract: Corrosion inhibitor-inorganic clay composite including benzoate anion intercalated Zn-Al layered double hydroxides (LDHs) are assembled by coprecipitation. Powder X-ray diffraction (XRD) and Fourier transform infrared (FT-IR) spectrum analyses indicate that the benzoate anion is successfully intercalated into the LDH interlayer and the benzene planes are vertically bilayer-positioned as a quasi-guest ion-pair form in the gallery space. Kinetic simulation for the release data, XRD and FT-IR analyses of samples recovered from the release medium indicate that ion-exchange is responsible for the release process and diffusion through the particle is also indicated to be the rate-limiting step. The anticorrosion capabilities of LDHs loaded with corrosion inhibitor toward Q235 carbon steel are analyzed by polarization curve and electrochemical impedance spectroscopy methods. Significant reduction of corrosion rate is observed when the LDH nanohybrid is present in the corrosive medium. This hybrid material may potentially be applied as a nanocontainer in self-healing coatings.

  9. Renal Type A Intercalated Cells Contain Albumin in Organelles with Aldosterone-Regulated Abundance

    PubMed Central

    Jensen, Thomas Buus; Cheema, Muhammad Umar; Szymiczek, Agata; Damkier, Helle Hasager; Praetorius, Jeppe

    2015-01-01

    Albumin has been identified in preparations of renal distal tubules and collecting ducts by mass spectrometry. This study aimed to establish whether albumin was a contaminant in those studies or actually present in the tubular cells, and if so, identify the albumin containing cells and commence exploration of the origin of the intracellular albumin. In addition to the expected proximal tubular albumin immunoreactivity, albumin was localized to mouse renal type-A intercalated cells and cells in the interstitium by three anti-albumin antibodies. Albumin did not colocalize with markers for early endosomes (EEA1), late endosomes/lysosomes (cathepsin D) or recycling endosomes (Rab11). Immuno-gold electron microscopy confirmed the presence of albumin-containing large spherical membrane associated bodies in the basal parts of intercalated cells. Message for albumin was detected in mouse renal cortex as well as in a wide variety of other tissues by RT-PCR, but was absent from isolated connecting tubules and cortical collecting ducts. Wild type I MDCK cells showed robust uptake of fluorescein-albumin from the basolateral side but not from the apical side when grown on permeable support. Only a subset of cells with low peanut agglutinin binding took up albumin. Albumin-aldosterone conjugates were also internalized from the basolateral side by MDCK cells. Aldosterone administration for 24 and 48 hours decreased albumin abundance in connecting tubules and cortical collecting ducts from mouse kidneys. We suggest that albumin is produced within the renal interstitium and taken up from the basolateral side by type-A intercalated cells by clathrin and dynamin independent pathways and speculate that the protein might act as a carrier of less water-soluble substances across the renal interstitium from the capillaries to the tubular cells. PMID:25874770

  10. Bonding between graphene and MoS{sub 2} monolayers without and with Li intercalation

    SciTech Connect

    Ahmed, Towfiq; Modine, N. A.; Zhu, Jian-Xin

    2015-07-27

    We performed density functional theory (DFT) calculations for a bi-layered heterostructure combining a graphene layer with a MoS{sub 2} layer with and without intercalated Li atoms. Our calculations demonstrate the importance of the van der Waals (vdW) interaction, which is crucial for forming stable bonding between the layers. Our DFT calculation correctly reproduces the linear dispersion, or Dirac cone, feature at the Fermi energy for the isolated graphene monolayer and the band gap for the MoS{sub 2} monolayer. For the combined graphene/MoS{sub 2} bi-layer, we observe interesting electronic structure and density of states (DOS) characteristics near the Fermi energy, showing both the gap like features of the MoS{sub 2} layer and in-gap states with linear dispersion contributed mostly by the graphene layer. Our calculated total DOS in this vdW heterostructure reveals that the graphene layer significantly contributes to pinning the Fermi energy at the center of the band gap of MoS{sub 2}. We also find that intercalating Li ions in between the layers of the graphene/MoS{sub 2} heterostructure enhances the binding energy through orbital hybridizations between cations (Li adatoms) and anions (graphene and MoS{sub 2} monolayers). Moreover, we calculate the dielectric function of the Li intercalated graphene/MoS{sub 2} heterostructure, the imaginary component of which can be directly compared with experimental measurements of optical conductivity in order to validate our theoretical prediction. We observe sharp features in the imaginary component of the dielectric function, which shows the presence of a Drude peak in the optical conductivity, and therefore metallicity in the lithiated graphene/MoS{sub 2} heterostructure.

  11. Electroanalytical and spectroscopic procedures for examination of interactions between double stranded DNA and intercalating drugs.

    PubMed

    Nowicka, Anna M; Zabost, Ewelina; Donten, Mikolaj; Mazerska, Zofia; Stojek, Zbigniew

    2007-11-01

    A method is presented for the electroanalytical characterization of interactions of dsDNA with a drug, under conditions that both agents are dissolved in the phosphate buffer solution and both are electroactive. Normal pulse, square wave, differential pulse, and cyclic voltammetries were employed in the measurements of the drug and dsDNA oxidation signals at carbon electrodes. UV-Vis spectroscopy was used as a non-electrochemical method to support the electroanalytical data. An anticancer drug, C-1311 (5-diethylaminoethyl-amino-8-hydroxyimidazoacridinone), has been selected for the examination. Normal pulse voltammetry was particularly useful in showing that under the conditions employed neither dsDNA nor the drug were adsorbed at the electrode surface. Necessary conditions for the appearance of the well-defined dsDNA voltammetric signal (guanine peak) are: rigorous chemical and biological purity in the cell and appropriate purity of DNA. An analysis of the obtained results confirmed that there were two modes of interaction between C-1311 and dsDNA: by intercalation and electrostatically. In the presence of excess NaCl the electrostatic interactions deteriorate. The binding constants (K (1) and K (2), respectively) and the number (n) of nucleic base pairs (bp) and the number (m) of phosphate groups (pg) interacting with one molecule of drug have been determined. For strong interactions (intercalation) the values of the binding constant, K (1), and the binding-site size, n, equal 3.7 x 10(4) M(-1) and 2.1, respectively. For the weak electrostatic interactions the K (2) and m parameters equal 0.28 x 10(4) M(-1) and 4.7. The intercalation process is rather slow and its rate (the conditions of pseudo-first-order reaction) was estimated to equal 7 x 10(-4) s(-1). The possibility of independent determination of both interacting agents was very useful in the study.

  12. Ankyrin-G Coordinates Intercalated Disc Signaling Platform to Regulate Cardiac Excitability In Vivo

    PubMed Central

    Makara, Michael A.; Curran, Jerry; Little, Sean C.; Musa, Hassan; Polina, Iuliia; Smith, Sakima A.; Wright, Patrick J.; Unudurthi, Sathya D.; Snyder, Jed; Bennett, Vann; Hund, Thomas J.; Mohler, Peter J.

    2014-01-01

    Rationale Nav1.5 (SCN5A) is the primary cardiac voltage-gated Nav channel. Nav1.5 is critical for cardiac excitability and conduction, and human SCN5A mutations cause sinus node dysfunction, atrial fibrillation, conductional abnormalities, and ventricular arrhythmias. Further, defects in Nav1.5 regulation are linked with malignant arrhythmias associated with human heart failure. Consequently, therapies to target select Nav1.5 properties have remained at the forefront of cardiovascular medicine. However, despite years of investigation, the fundamental pathways governing Nav1.5 membrane targeting, assembly, and regulation are still largely undefined. Objective Define the in vivo mechanisms underlying Nav1.5 membrane regulation. Methods and Results Here, we define the molecular basis of a Nav channel regulatory platform in heart. Using new cardiac-selective ankyrin-G−/− mice (cKO), we report that ankyrin-G targets Nav1.5, and its regulatory protein, calcium/calmodulin-dependent kinase II (CaMKII) to the intercalated disc. Mechanistically, βIV-spectrin is requisite for ankyrin-dependent targeting of CaMKIIδ, however βIV-spectrin is not essential for ankyrin-G expression. Ankyrin-G cKO myocytes display decreased Nav1.5 expression/membrane localization, and reduced INa associated with pronounced bradycardia, conduction abnormalities, and ventricular arrhythmia in response to Nav channel antagonists. Moreover, we report that ankyrin-G links Nav channels with broader intercalated disc signaling/structural nodes, as ankyrin-G loss results in reorganization of plakophilin-2 and lethal arrhythmias in response to beta-adrenergic stimulation. Conclusions Our findings provide the first in vivo data for the molecular pathway required for intercalated disc Nav1.5 targeting/regulation in heart. Further, these new data identify the basis of an in vivo cellular platform critical for membrane recruitment and regulation of Nav1.5. PMID:25239140

  13. Ultrafast dynamics of 1-ethynylpyrene-modified RNA: a photophysical probe of intercalation.

    PubMed

    Förster, Ute; Grünewald, Christian; Engels, Joachim W; Wachtveitl, Josef

    2010-09-01

    The photophysics of pyrene attached to an adenine base within RNA single strands and duplexes is examined with respect to the position of the pyrene within the strand and the number of pyrenes attached to one duplex. Compounds with pyrenes intercalating sequence specifically are examined, as well as a doubly modified compound, where the two pyrenes are located close enough to each other for significant excimer interaction. Femtosecond transient absorption measurements and time correlated single photon counting measurements allow a thorough examination of the local influences on the pyrene photophysics. Our results suggest that optical excitation establishes an equilibration between two molecular states of different spectroscopic properties and lifetimes that are coupled only via the excited state as a gateway. One of them is a neutral pyrene-adenine excited state, S*, while the second one is connected to an excited charge transfer state, S*(CT). In all compounds, an ultrafast sub-ps decay from a higher excited state into the lowest excited state S* occurs, and an excited charge transfer species S*(CT) is formed within picoseconds. The fluorescence behavior of the pyrene-modified adenine, however, is strongly dependent on RNA conformation. Both S* and S*(CT) states are fluorescent, and decay within hundreds of picoseconds and approximately 2 ns, respectively. The ratio between S* and S*(CT) fluorescence depends strongly on pyrene intercalation, and it is found that the S* state is quenched selectively upon intercalation of the pyrene into RNA. The doubly modified duplex exhibits an additional fluorescent state with a lifetime of 18.7 ns, which is associated with the pyrene excimer state. This state coexists with a significant population of the pyrene monomer, since the characteristic features of the latter can still be observed. Formation of the excimer occurs on femtosecond time scales. The pyrene label thus provides a sensitive tool to monitor the local structural

  14. Understanding the origin of high-rate intercalation pseudocapacitance in Nb2O5 crystals

    SciTech Connect

    Ganesh, Panchapakesan; Kent, P. R. C.; Sumpter, Bobby G; Lubimtsev, Andrew A

    2013-01-01

    Pseudocapacitors aim to maintain the high power density of supercapacitors while increasing the energy density towards those of energy dense storage systems such as lithium ion batteries. Recently discovered intercalation pseudocapacitors (e.g. Nb2O5) are particularly interesting because their performance is seemingly not limited by surface reactions or structures, but instead determined by the bulk crystalline structure of the material. We study ordered polymorphs of Nb2O5 and detail the mechanism for the intrinsic high rates and energy density observed for this class of materials. We find that the intercalating atom (lithium) forms a solid solution adsorbing at specific sites in a network of quasi-2D NbOx faces with x {1.3, 1.67, or 2}, donating electrons locally to its neighboring atoms, reducing niobium. Open channels in the structure have low diffusion barriers for ions to migrate between these sites (Eb 0.28 0.44 eV) comparable to high-performance solid electrolytes. Using a combination of complementary theoretical methods we rationalize this effect in LixNb2O5 for a wide range of compositions (x) and at finite temperatures. Multiple adsorption sites per unit-cell with similar adsorption energies and local charge transfer result in high capacity and energy density, while the interconnected open channels lead to low cost diffusion pathways between these sites, resulting in high power density. The nano-porous structure exhibiting local chemistry in a crystalline framework is the origin of high-rate pseudocapacitance in this new class of intercalation pseudocapacitor materials. This new insight provides guidance for improving the performance of this family of materials.

  15. 24 CFR 180.500 - Discovery.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Discovery. 180.500 Section 180.500... OPPORTUNITY CONSOLIDATED HUD HEARING PROCEDURES FOR CIVIL RIGHTS MATTERS Discovery § 180.500 Discovery. (a) In general. This subpart governs discovery in aid of administrative proceedings under this part. Discovery...

  16. 29 CFR 2700.56 - Discovery; general.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...(c) or 111 of the Act has been filed. 30 U.S.C. 815(c) and 821. (e) Completion of discovery... 29 Labor 9 2010-07-01 2010-07-01 false Discovery; general. 2700.56 Section 2700.56 Labor... Hearings § 2700.56 Discovery; general. (a) Discovery methods. Parties may obtain discovery by one or...

  17. Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene.

    PubMed

    Margine, E R; Lambert, Henry; Giustino, Feliciano

    2016-01-01

    Using the ab initio anisotropic Eliashberg theory including Coulomb interactions, we investigate the electron-phonon interaction and the pairing mechanism in the recently-reported superconducting Ca-intercalated bilayer graphene. We find that C6CaC6 can support phonon-mediated superconductivity with a critical temperature Tc = 6.8-8.1 K, in good agreement with experimental data. Our calculations indicate that the low-energy Caxy vibrations are critical to the pairing, and that it should be possible to resolve two distinct superconducting gaps on the electron and hole Fermi surface pockets. PMID:26892805

  18. Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene

    NASA Astrophysics Data System (ADS)

    Margine, E. R.; Lambert, Henry; Giustino, Feliciano

    2016-02-01

    Using the ab initio anisotropic Eliashberg theory including Coulomb interactions, we investigate the electron-phonon interaction and the pairing mechanism in the recently-reported superconducting Ca-intercalated bilayer graphene. We find that C6CaC6 can support phonon-mediated superconductivity with a critical temperature Tc = 6.8-8.1 K, in good agreement with experimental data. Our calculations indicate that the low-energy Caxy vibrations are critical to the pairing, and that it should be possible to resolve two distinct superconducting gaps on the electron and hole Fermi surface pockets.

  19. Viral persistence in surface and drinking water: Suitability of PCR pre-treatment with intercalating dyes.

    PubMed

    Prevost, B; Goulet, M; Lucas, F S; Joyeux, M; Moulin, L; Wurtzer, S

    2016-03-15

    After many outbreaks of enteric virus associated with consumption of drinking water, the study of enteric viruses in water has increased significantly in recent years. In order to better understand the dynamics of enteric viruses in environmental water and the associated viral risk, it is necessary to estimate viral persistence in different conditions. In this study, two representative models of human enteric viruses, adenovirus 41 (AdV 41) and coxsackievirus B2 (CV-B2), were used to evaluate the persistence of enteric viruses in environmental water. The persistence of infectious particles, encapsidated genomes and free nucleic acids of AdV 41 and CV-B2 was evaluated in drinking water and surface water at different temperatures (4 °C, 20 °C and 37 °C). The infectivity of AdV 41 and CV-B2 persisted for at least 25 days, whatever the water temperature, and for more than 70 days at 4 °C and 20 °C, in both drinking and surface water. Encapsidated genomes persisted beyond 70 days, whatever the water temperature. Free nucleic acids (i.e. without capsid) also were able to persist for at least 16 days in drinking and surface water. The usefulness of a detection method based on an intercalating dye pre-treatment, which specifically targets preserved particles, was investigated for the discrimination of free and encapsidated genomes and it was compared to virus infectivity. Further, the resistance of AdV 41 and CV-B2 against two major disinfection treatments applied in drinking water plants (UV and chlorination) was evaluated. Even after the application of UV rays and chlorine at high doses (400 mJ/cm(2) and 10 mg.min/L, respectively), viral genomes were still detected with molecular biology methods. Although the intercalating dye pre-treatment had little use for the detection of the effects of UV treatment, it was useful in the case of treatment by chlorination and less than 1 log10 difference in the results was found as compared to the infectivity measurements

  20. Electronic structure of alkali-intercalated graphite studied by soft-x-ray emission spectroscopy

    NASA Astrophysics Data System (ADS)

    Mansour, A.; Schnatterly, S. E.; Ritsko, J. J.

    1987-02-01

    Carbon K soft-x-ray emission spectra of LiC6, KC8, and CsC8 are presented. An absolute value for the charge transfer from the alkali metal to the carbon π band is obtained. A model fit to the data reveals similar effects on both spectral shape and threshold energy, independent of the choice of the alkali-metal intercalant, and provides a measure of departures from the rigid-band approximation. An enhancement of the soft-x-ray emission spectrum near EF is reported.

  1. A photochromic thin film based on salicylideneaniline derivatives intercalated layered double hydroxide

    NASA Astrophysics Data System (ADS)

    Wang, Xin Rui; Lu, Jun; Yan, Dongpeng; Wei, Min; Evans, David G.; Duan, Xue

    2010-06-01

    Optically transparent thin films with photochromic properties have been fabricated by means of co-intercalation of azomethine-H anions (AMH) and 1-pentanesulfonate (PS) with different molar ratios into the galleries of a ZnAl layered double hydroxide (LDH). The photochromism of AMH occurred in a 2D confined inorganic matrix has been studied by steady state and transient UV-vis spectroscopy. The AMH anion undergoes an excited-state intramolecular proton transfer from the enol tautomer to trans-keto tautomer after UV excitation, and the relaxed back-isomerization to the ground state of enol tautomer was investigated by transient UV-vis spectroscopy.

  2. Switchable graphene-substrate coupling through formation/dissolution of an intercalated Ni-carbide layer

    PubMed Central

    Africh, Cristina; Cepek, Cinzia; Patera, Laerte L.; Zamborlini, Giovanni; Genoni, Pietro; Menteş, Tevfik O.; Sala, Alessandro; Locatelli, Andrea; Comelli, Giovanni

    2016-01-01

    Control over the film-substrate interaction is key to the exploitation of graphene’s unique electronic properties. Typically, a buffer layer is irreversibly intercalated “from above” to ensure decoupling. For graphene/Ni(111) we instead tune the film interaction “from below”. By temperature controlling the formation/dissolution of a carbide layer under rotated graphene domains, we reversibly switch graphene’s electronic structure from semi-metallic to metallic. Our results are relevant for the design of controllable graphene/metal interfaces in functional devices. PMID:26804138

  3. A lipid membrane intercalating conjugated oligoelectrolyte enables electrode driven succinate production in Shewanella

    SciTech Connect

    Thomas, AW; Garner, LE; Nevin, KP; Woodard, TL; Franks, AE; Lovley, DR; Sumner, JJ; Sund, CJ; Bazan, GC

    2013-06-01

    An amphiphilic conjugated oligoelectrolyte (COE) that spontaneously intercalates into lipid membranes enables Shewanella oneidensis to use a graphite electrode as the sole electron donor for succinate production. Current consumed in a poised electrochemical system by Shewanella with micromolar concentrations of COE correlates well with the succinate produced via fumarate reduction as determined by HPLC analysis. Confocal microscopy confirms incorporation of the COE into the microbes on the electrode surface. This work presents a unique strategy to induce favorable bio-electronic interactions for the production of reduced microbial metabolites.

  4. Preparation of Mg/Al-LDHs intercalated with dodecanoic acid and investigation of its antiwear ability

    SciTech Connect

    Zhao, Dong; Bai, Zhimin; Zhao, Fuyan

    2012-11-15

    Graphical abstract: Comparable studies of nano Mg/Al-LDHs powder on the anti-wear properties of lubricating oil were carried out on four-ball and gear testing machine. Mg/Al-NO{sub 3}{sup −}-LDHs and Mg/Al-DA-LDHs powder in base oil possess an excellent friction-reducing property, with a friction coefficient at 23.9% and 22.2% which are lower than that of the base oil Highlights: ► We synthesized nano Mg/Al-NO{sub 3}{sup −}(DA)-LDHs via coprecipitation and anion exchange. ► The optimal exchanging condition is as follows: water dispersion and pH value of 5. ► The tribological properties of LDHs were studied on four-ball and gear machine. ► We reported nano LHDs as anti-wear materials in lubricates for the first time. ► The greatest decline in friction coefficient of lubricates with LDHs is up to 23.9%. -- Abstract: Layered double hydroxides (LDHs) intercalated with dodecanoic acid have been prepared by anion exchange with Mg/Al-NO{sub 3}{sup −}-LDHs as the precursor under acid condition with water and ethanol as the dispersion medium. The obtained materials were characterized by X-ray diffraction (XRD), thermogravimetric and differential thermal analyser (TG–DTA), Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM) and BET. Patterns of XRD and FTIR show that interlayer nitrate ions have substituted with dodecanoic acid and the gallery height has increased from 0.88 nm to 1.99 nm. The interlayer distance of the intercalated materials increases with the increase of pH value due to the different arrangement of interlayer anions. The tribological performance of LDHs precursor and intercalated LDHs in base oil were studied for the first time by using four-ball wear machine and gear testing machine. Experimental results show that the LDHs precursor and intercalated LDHs powder are excellent in friction-reducing, with decreases in friction coefficient by 23.9% and 22.2% respectively comparing with base oil.

  5. Crystal structure of a four-stranded intercalated DNA: d(C4)

    NASA Technical Reports Server (NTRS)

    Chen, L.; Cai, L.; Zhang, X.; Rich, A.

    1994-01-01

    The crystal structure of d(C4) solved at 2.3-A resolution reveals a four-stranded molecule composed of two interdigitated or intercalated duplexes. The duplexes are held together by hemiprotonated cytosine-cytosine base pairs and are parallel stranded, but the two duplexes point in opposite directions. The molecule has a slow right-handed twist of 12.4 degrees between covalently linked cytosine base pairs, and the base stacking distance is 3.1 A. This is in general agreement with the NMR studies. A biological role for DNA in this conformation is suggested.

  6. Restoring a nearly free-standing character of graphene on Ru(0001) by oxygen intercalation.

    PubMed

    Voloshina, Elena; Berdunov, Nikolai; Dedkov, Yuriy

    2016-02-08

    Realization of a free-standing graphene is always a demanding task. Here we use scanning probe microscopy and spectroscopy to study the crystallographic structure and electronic properties of the uniform nearly free-standing graphene layers obtained by intercalation of oxygen monolayer in the "strongly" bonded graphene/Ru(0001) interface. Spectroscopic data show that such graphene layer is heavily p-doped with the Dirac point located at 552 meV above the Fermi level. Experimental data are understood within density-functional theory approach and the observed effects are in good agreement with the theoretical data.

  7. New Effects of Aging and Lattice Intercalation on Surface Properties of Titanate Nanobelts

    NASA Astrophysics Data System (ADS)

    Williams, Roger

    Titanate nanobelts (NBs) have structural characteristics beyond that of clays. Due to a negatively charged lattice matrix of edge-shared TiO 6-octahedra, the location of intercalated cations within the interlayer space may dictate the charge-conductions. This environment may in turn govern the lattice-framework's stability and surface properties, based upon our preliminary data. On that basis, these nanomaterials have been found in our lab to possess superb biological compatibility that is closely related to the types of the intercalated cations. In addition, a prolonged agitation was proven to enable us to manipulate the titanate NBs' length. In a parallel study, a ripening was observed in the post-synthesis aging process at room temperature (RT). This process implied, for the first time, a new way of changing the NBs' aspect ratio in nanosynthesis. This novel post-synthesis manipulation of aspect ratio has enabled us to successfully improve our yield of the NB-membrane by four folds, which is significant in scale-up fabrication of the NB-entangled membranes, which have shown interest as a proton exchange membrane (PEM) in fuel cells (PEMFC) and gas sensing capabilities. PEMFCs provide the highest power density in comparison with all other fuel cell types currently available. In order to improve the fuel cells efficiency, further advancements into enhancing the thermal stability while maintaining adequate hydration levels of the PEM membrane is continually sought after. Unfortunately, the polymer structure of Nafion(c) membranes structural stability and water retention falls short at elevated temperatures. However, based on our preliminary data, intercalated titanate NBs/Nafion (c) composites may hold the key to overcoming these technological drawbacks. Lastly, aging and surface modification of titanate materials has been used to attain the high selectivity and sensitivity in electrochemical sensing when applied to an electrode surface. Our initial findings

  8. Communication: Molecular simulation study of kaolinite intercalation with realistic layer size

    SciTech Connect

    Ható, Zoltán; Kristóf, Tamás; Rutkai, Gábor; Vrabec, Jadran

    2014-09-07

    Intercalation phenomena of kaolinite in aqueous potassium acetate and in hexyl-amine solutions are studied by large scale molecular dynamics simulations. The simulated kaolinite particle is constructed from ∼6.5 × 10{sup 6} atoms, producing a particle size of ∼100 nm × 100 nm × 10 nm. The simulation with potassium acetate results in a stable kaolinite-potassium acetate complex, with a basal spacing that is in close agreement with experimental data. The simulation with hexyl-amine shows signs of the experimentally observed delamination of kaolinite (the initial phase of the formation of nanoscrolls from the external layers)

  9. X-ray study of the intercalant distribution in mixed alkyl ammonium pillared clay

    NASA Astrophysics Data System (ADS)

    Lee, S.; Solin, S. A.

    1991-05-01

    From x-ray-diffraction studies, the synthetic vermiculite intercalation compounds, [(CH3)4N+]x[(CH3)3NH+]1-x-Vm [where 0<=x<=0.96 and Vm=Mg2+0.86 (Al0.48Mg5.52)(Si5.87Al2.13)O20(OH)4] are shown to have a solid-solution-type mixed gallery cation distribution. We suggest that the x dependence of the full width at half maximum of key (00l) reflections can be attributed to the differences in the solvation properties of alkyl ammonium ions in the gallery of the host clay.

  10. Simultaneous electrical resistivity and mass uptake measurements in bromine intercalated fibers

    NASA Technical Reports Server (NTRS)

    Jaworske, D. A.

    1986-01-01

    Changes in mass and electrical resistivity of several types of pitch-based and vapor-grown graphite fibers were monitored during reaction with bromine. The observed threshold pressure dependent reaction suggested that the fibers were intercalated. In the fully brominated compound, the mass was increased by 44 percent and the resistivity was improved by a factor of 17. In the residue compound, the mass was increased by 22 percent and the resistivity was improved by a factor of 5. Fibers possessing different degrees of graphitization had surprisingly similar changes in both mass and resistivity.

  11. Layered materials with improved magnesium intercalation for rechargeable magnesium ion cells

    DOEpatents

    Doe, Robert Ellis; Downie, Craig Michael; Fischer, Christopher; Lane, George Hamilton; Morgan, Dane; Nevin, Josh; Ceder, Gerbrand; Persson, Kristin Aslaug; Eaglesham, David

    2015-10-27

    Electrochemical devices which incorporate cathode materials that include layered crystalline compounds for which a structural modification has been achieved which increases the diffusion rate of multi-valent ions into and out of the cathode materials. Examples in which the layer spacing of the layered electrode materials is modified to have a specific spacing range such that the spacing is optimal for diffusion of magnesium ions are presented. An electrochemical cell comprised of a positive intercalation electrode, a negative metal electrode, and a separator impregnated with a nonaqeuous electrolyte solution containing multi-valent ions and arranged between the positive electrode and the negative electrode active material is described.

  12. Layered materials with improved magnesium intercalation for rechargeable magnesium ion cells

    DOEpatents

    Doe, Robert Ellis; Downie, Craig Michael; Fischer, Christopher; Lane, George Hamilton; Morgan, Dane; Nevin, Josh; Ceder, Gerbrand; Persson, Kristin Aslaug; Eaglesham, David

    2016-07-26

    Electrochemical devices which incorporate cathode materials that include layered crystalline compounds for which a structural modification has been achieved which increases the diffusion rate of multi-valent ions into and out of the cathode materials. Examples in which the layer spacing of the layered electrode materials is modified to have a specific spacing range such that the spacing is optimal for diffusion of magnesium ions are presented. An electrochemical cell comprised of a positive intercalation electrode, a negative metal electrode, and a separator impregnated with a nonaqueous electrolyte solution containing multi-valent ions and arranged between the positive electrode and the negative electrode active material is described.

  13. Layered materials with improved magnesium intercalation for rechargeable magnesium ion cells

    DOEpatents

    Doe, Robert E.; Downie, Craig M.; Fischer, Christopher; Lane, George H.; Morgan, Dane; Nevin, Josh; Ceder, Gerbrand; Persson, Kristin A.; Eaglesham, David

    2016-01-19

    Electrochemical devices which incorporate cathode materials that include layered crystalline compounds for which a structural modification has been achieved which increases the diffusion rate of multi-valent ions into and out of the cathode materials. Examples in which the layer spacing of the layered electrode materials is modified to have a specific spacing range such that the spacing is optimal for diffusion of magnesium ions are presented. An electrochemical cell comprised of a positive intercalation electrode, a negative metal electrode, and a separator impregnated with a nonaqueous electrolyte solution containing multi-valent ions and arranged between the positive electrode and the negative electrode active material is described.

  14. Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene

    PubMed Central

    Margine, E. R.; Lambert, Henry; Giustino, Feliciano

    2016-01-01

    Using the ab initio anisotropic Eliashberg theory including Coulomb interactions, we investigate the electron-phonon interaction and the pairing mechanism in the recently-reported superconducting Ca-intercalated bilayer graphene. We find that C6CaC6 can support phonon-mediated superconductivity with a critical temperature Tc = 6.8–8.1 K, in good agreement with experimental data. Our calculations indicate that the low-energy Caxy vibrations are critical to the pairing, and that it should be possible to resolve two distinct superconducting gaps on the electron and hole Fermi surface pockets. PMID:26892805

  15. Restoring a nearly free-standing character of graphene on Ru(0001) by oxygen intercalation

    PubMed Central

    Voloshina, Elena; Berdunov, Nikolai; Dedkov, Yuriy

    2016-01-01

    Realization of a free-standing graphene is always a demanding task. Here we use scanning probe microscopy and spectroscopy to study the crystallographic structure and electronic properties of the uniform nearly free-standing graphene layers obtained by intercalation of oxygen monolayer in the “strongly” bonded graphene/Ru(0001) interface. Spectroscopic data show that such graphene layer is heavily p-doped with the Dirac point located at 552 meV above the Fermi level. Experimental data are understood within density-functional theory approach and the observed effects are in good agreement with the theoretical data. PMID:26852734

  16. Lithium intercalation and diffusion in TiO2 nanotubes: a first-principles investigation.

    PubMed

    Liang, Ke; Chen, Xue; Guo, Zhenyu; Hou, Tingjun; Zhang, Xiaohong; Li, Youyong

    2016-09-21

    Titanium dioxide nanotubes have attracted considerable attention because of their excellent photoelectric and electrochemical performance in lithium-ion batteries (LIBs). Precise intercalation sites and controllable diffusion paths are very important for the structures and transport properties of TiO2 nanotubes. Based on first-principles calculations, herein, we discuss these parameters. The results indicate that TiO2 nanotubes with 2-coordinate oxygen vacancies could effectively improve the immigration ability of Li ions. The effective diffusion barriers (0.53 eV) between the outer and inner surfaces suggest a potential material for application in Li-ion barriers. PMID:27533347

  17. NASA Discovery Program Workshop

    NASA Technical Reports Server (NTRS)

    1992-01-01

    The purpose of the workshop was to review concepts for Discover-class missions that would follow the first two missions (MESUR-Pathfinder and NEAR) of this new program. The concepts had been generated by scientists involved in NASA's Solar System Exploration Program to carry out scientifically important investigations within strict guidelines -- $150 million cap on development cost and 3 year cap on development schedule. Like the Astrophysics Small Explorers (SMEX), such 'faster and cheaper' missions could provide vitality to solar system exploration research by returning high quality data more frequently and regularly and by involving many more young researchers than normally participate directly in larger missions. An announcement of opportunity (AO) to propose a Discovery mission to NASA is expected to be released in about two years time. One purpose of the workshop was to assist Code SL in deciding how to allocate its advanced programs resources. A second, complimentary purpose was to provide the concept proposers with feedback to allow them to better prepare for the AO.

  18. System for Information Discovery

    SciTech Connect

    Crow, Vern; Nakamura, Grant; Younkin, Chance

    1998-09-25

    SID characterizes natural language based documents so that they may be related and retrieved based on content similarity. This technology processes textual documents, autonoumsly identifies the major topics of the document set, and constructs an interpretable, high dimensional representation of each document. SID also provides the ability to interactively reweight representations based on user need, so users may analyze the dataset from multiple points of view. The particular advantages SID offers are speed, data compression, flexibility in representation, and incremental processing. SPIRE consists of software for visual analysis of text-based information sources. This technology enables users to make discoveries about the content of very large sets of textual documents without requiring the user to read or presort the documents. It employs algorithms for text and word proximity analysis to identify the key themes within the documents. The results of this analysis are projected onto a visual spatial proximity display (Galaxies or Themescape) where document proximity represents the degree of relatedness of theme.

  19. System for Information Discovery

    1998-09-25

    SID characterizes natural language based documents so that they may be related and retrieved based on content similarity. This technology processes textual documents, autonoumsly identifies the major topics of the document set, and constructs an interpretable, high dimensional representation of each document. SID also provides the ability to interactively reweight representations based on user need, so users may analyze the dataset from multiple points of view. The particular advantages SID offers are speed, data compression,more » flexibility in representation, and incremental processing. SPIRE consists of software for visual analysis of text-based information sources. This technology enables users to make discoveries about the content of very large sets of textual documents without requiring the user to read or presort the documents. It employs algorithms for text and word proximity analysis to identify the key themes within the documents. The results of this analysis are projected onto a visual spatial proximity display (Galaxies or Themescape) where document proximity represents the degree of relatedness of theme.« less

  20. Direct experimental evidence for the reversal of carrier type upon hydrogen intercalation in epitaxial graphene/SiC(0001)

    SciTech Connect

    Rajput, S. Li, Y. Y.; Li, L.

    2014-01-27

    Raman spectroscopy and scanning tunneling microscopy/spectroscopy measurements are performed to determine the atomic structure and electronic properties of H-intercalated graphene/SiC(0001) obtained by annealing the as-grown epitaxial graphene in hydrogen atmosphere. While the as-grown graphene is found to be n-type with the Dirac point (E{sub D}) at 450 and 350 meV below Fermi level for the 1st and 2nd layer, the H-intercalated graphene is p-type with E{sub D} at 320 and 200 meV above. In addition, ripples are observed in the now quasi-free standing graphene decoupled from the SiC substrate. This causes fluctuations in the Dirac point that directly follow the undulations of the ripples, resulting in electron and hole puddles in the H-intercalated graphene/SiC(0001)

  1. Tuning Fullerene Intercalation in a Poly (thiophene) derivative by Controlling the Polymer Degree of Self-Organisation

    PubMed Central

    Paternò, G. M.; Skoda, M. W. A.; Dalgliesh, Robert; Cacialli, F.; Sakai, V. García

    2016-01-01

    Controlling the nanoscale arrangement in polymer-fullerene organic solar cells is of paramount importance to boost the performance of such promising class of photovoltaic diodes. In this work, we use a pseudo-bilayer system made of poly(2,5-bis(3-hexadecylthiophen-2-yl)thieno[3,2-b]thiophene (PBTTT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), to acquire a more complete understanding of the diffusion and intercalation of the fullerene-derivative within the polymer layer. By exploiting morphological and structural characterisation techniques, we observe that if we increase the film solidification time the polymer develops a higher crystalline order, and, as a result, it does not allow fullerene molecules to intercalate between the polymer side-chains. Gaining insight into the detailed fullerene intercalation mechanism is important for the development of organic photovoltaic diodes (PVDs). PMID:27698410

  2. Tuning Fullerene Intercalation in a Poly (thiophene) derivative by Controlling the Polymer Degree of Self-Organisation

    NASA Astrophysics Data System (ADS)

    Paternò, G. M.; Skoda, M. W. A.; Dalgliesh, Robert; Cacialli, F.; Sakai, V. García

    2016-10-01

    Controlling the nanoscale arrangement in polymer-fullerene organic solar cells is of paramount importance to boost the performance of such promising class of photovoltaic diodes. In this work, we use a pseudo-bilayer system made of poly(2,5-bis(3-hexadecylthiophen-2-yl)thieno[3,2-b]thiophene (PBTTT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), to acquire a more complete understanding of the diffusion and intercalation of the fullerene-derivative within the polymer layer. By exploiting morphological and structural characterisation techniques, we observe that if we increase the film solidification time the polymer develops a higher crystalline order, and, as a result, it does not allow fullerene molecules to intercalate between the polymer side-chains. Gaining insight into the detailed fullerene intercalation mechanism is important for the development of organic photovoltaic diodes (PVDs).

  3. Stable loop in the crystal structure of the intercalated four-stranded cytosine-rich metazoan telomere

    SciTech Connect

    Kang, C.H.; Lockshin, C.; Rich, A.

    1995-04-25

    In most metazoans, the telomeric cytosine-rich strand repeating sequence is d(TAACCC). The crystal structure of this sequence was solved to 1.9-{angstrom} resolution. Four strands associate via the cytosine-containing parts to form a four-stranded intercalated structure held together by C-C{sup +} hydrogen bonds. The base-paired strands are parallel to each other, and the two duplexes are intercalated into each other in opposite orientations. One TAA end forms a highly stabilized loop with the 5{prime} thymine Hoogsteen-base-paired to the third adenine. The 5{prime} end of this loop is in close proximity to the 3{prime} end of one of the other intercalated cytosine strands. Instead of being entirely in a DNA duplex, this structure suggests the possibility of an alternative conformation for the cytosine-rich telomere strands. 25 refs., 5 figs.

  4. Stable loop in the crystal structure of the intercalated four-stranded cytosine-rich metazoan telomere

    NASA Technical Reports Server (NTRS)

    Kang, C.; Berger, I.; Lockshin, C.; Ratliff, R.; Moyzis, R.; Rich, A.

    1995-01-01

    In most metazoans, the telomeric cytosine-rich strand repeating sequence is d(TAACCC). The crystal structure of this sequence was solved to 1.9-A resolution. Four strands associate via the cytosine-containing parts to form a four-stranded intercalated structure held together by C.C+ hydrogen bonds. The base-paired strands are parallel to each other, and the two duplexes are intercalated into each other in opposite orientations. One TAA end forms a highly stabilized loop with the 5' thymine Hoogsteen-base-paired to the third adenine. The 5' end of this loop is in close proximity to the 3' end of one of the other intercalated cytosine strands. Instead of being entirely in a DNA duplex, this structure suggests the possibility of an alternative conformation for the cytosine-rich telomere strands.

  5. Effect of metal ion intercalation on the structure of MXene and water dynamics on its internal surfaces

    DOE PAGESBeta

    Osti, Naresh C.; Naguib, Michael; Ostadhossein, Alireza; Kent, Paul R. C.; Dyatkin, Boris; Rother, Gernot; Heller, William T.; Adri C. T. van Duin; Gogotsi, Yury; Mamontov, Eugene; et al

    2016-03-24

    MXenes are a recently discovered class of 2D materials with an excellent potential for energy storage applications. Because MXene surfaces are hydrophilic and attractive interaction forces between the layers are relatively weak, water molecules can spontaneously intercalate at ambient humidity and significantly influence the key properties of this 2D material. Using complementary X-ray and neutron scattering techniques, we demonstrate that intercalation with potassium cations significantly improves structural homogeneity and water stability in MXenes. Furthermore, in agreement with molecular dynamics simulations, intercalated potassium ions reduce the water self-diffusion coefficient by 2 orders of magnitude, suggesting greater stability of hydrated MXene againstmore » changing environmental conditions.« less

  6. Effects of Pb Intercalation on the Structural and Electronic Properties of Epitaxial Graphene on SiC.

    PubMed

    Yurtsever, Ayhan; Onoda, Jo; Iimori, Takushi; Niki, Kohei; Miyamachi, Toshio; Abe, Masayuki; Mizuno, Seigi; Tanaka, Satoru; Komori, Fumio; Sugimoto, Yoshiaki

    2016-08-01

    The effects of Pb intercalation on the structural and electronic properties of epitaxial single-layer graphene grown on SiC(0001) substrate are investigated using scanning tunneling microscopy (STM), noncontact atomic force microscopy, Kelvin probe force microscopy (KPFM), X-ray photoelectron spectroscopy, and angle-resolved photoemission spectroscopy (ARPES) methods. The STM results show the formation of an ordered moiré superstructure pattern induced by Pb atom intercalation underneath the graphene layer. ARPES measurements reveal the presence of two additional linearly dispersing π-bands, providing evidence for the decoupling of the buffer layer from the underlying SiC substrate. Upon Pb intercalation, the Si 2p core level spectra show a signature for the existence of PbSi chemical bonds at the interface region, as manifested in a shift of 1.2 eV of the bulk SiC component toward lower binding energies. The Pb intercalation gives rise to hole-doping of graphene and results in a shift of the Dirac point energy by about 0.1 eV above the Fermi level, as revealed by the ARPES measurements. The KPFM experiments have shown that decoupling of the graphene layer by Pb intercalation is accompanied by a work function increase. The observed increase in the work function is attributed to the suppression of the electron transfer from the SiC substrate to the graphene layer. The Pb intercalated structure is found to be stable in ambient conditions and at high temperatures up to 1250 °C. These results demonstrate that the construction of a graphene-capped Pb/SiC system offers a possibility of tuning the graphene electronic properties and exploring intriguing physical properties such as superconductivity and spintronics. PMID:27295020

  7. Eu{sup 3+} luminescence enhancement by intercalation of benzenepolycarboxylic guests into Eu{sup 3+}-doped layered gadolinium hydroxide

    SciTech Connect

    Gu, Qingyang; Pan, Guohua; Ma, Teng; Huang, Gailing; Sun, Genban; Ma, Shulan; Yang, Xiaojing

    2014-05-01

    Graphical abstract: Two benzenepolycarboxylic sensitizers, 1,3,5-benzenetricarboxylic acid (BTA) and 1,2,4,5-benzenetetracarboxylic acid (BA), were intercalated into NO{sub 3}–LGdH:Eu, in which different structures of the compounds resulted in varied arrangement in the gallery. The two organic compounds especially BA markedly enhanced the red luminescence of Eu{sup 3+} due to efficient energy transfer between the organic guests and Eu{sup 3+} centers. - Highlights: • We report the intercalation of benzenepolycarboxylic organic sensitizers into LRH. • We study the intercalation structure and the arrangement of the interlayer guests. • The two organic compounds can markedly enhance the luminescence of Eu{sup 3+}. • There exists efficient energy transfer between organic guests and Eu{sup 3+} centers. • This material opens a route for fabricating new multifunctional luminescent materials. - Abstract: Two benzenepolycarboxylic organic sensitizers, 1,3,5-benzenetricarboxylic acid (BTA) and 1,2,4,5-benzenetetracarboxylic acid (BA), were intercalated into the gallery of NO{sub 3}{sup −} type Eu{sup 3+}-doped layered gadolinium hydroxide (NO{sub 3}–LGdH:Eu). CHN analysis, FTIR, and SEM were employed to characterize the intercalation structures of the as-prepared organic/inorganic hybrids. The area per unit charge (S{sub charge}) was used to explain the intercalation structure and the arrangement of the interlayer guests. Different structures of the two organic compounds resulted in varied arrangement of guests. Photoluminescence studies indicated that both of the two organic compounds especially BA markedly enhanced the red luminescence of Eu{sup 3+} due to efficient energy transfer between the organic guests and Eu{sup 3+} centers.

  8. Left–right asymmetric cell intercalation drives directional collective cell movement in epithelial morphogenesis

    PubMed Central

    Sato, Katsuhiko; Hiraiwa, Tetsuya; Maekawa, Emi; Isomura, Ayako; Shibata, Tatsuo; Kuranaga, Erina

    2015-01-01

    Morphogenetic epithelial movement occurs during embryogenesis and drives complex tissue formation. However, how epithelial cells coordinate their unidirectional movement while maintaining epithelial integrity is unclear. Here we propose a novel mechanism for collective epithelial cell movement based on Drosophila genitalia rotation, in which epithelial tissue rotates clockwise around the genitalia. We found that this cell movement occurs autonomously and requires myosin II. The moving cells exhibit repeated left–right-biased junction remodelling, while maintaining adhesion with their neighbours, in association with a polarized myosin II distribution. Reducing myosinID, known to cause counter-clockwise epithelial-tissue movement, reverses the myosin II distribution. Numerical simulations revealed that a left–right asymmetry in cell intercalation is sufficient to induce unidirectional cellular movement. The cellular movement direction is also associated with planar cell-shape chirality. These findings support a model in which left–right asymmetric cell intercalation within an epithelial sheet drives collective cellular movement in the same direction. PMID:26656655

  9. Site selective bis-intercalation of a homodimeric thiazole orange dye in DNA oligonucleotides.

    PubMed Central

    Jacobsen, J P; Pedersen, J B; Hansen, L F; Wemmer, D E

    1995-01-01

    We have used one and two dimensional 1H NMR spectroscopy to characterize the binding of a homodimeric thiazole orange dye, 1,1'-(4,4,8,8-tetramethyl-4,8-diaza-undecamethylene)-bis-4- (3-methyl-2,3-dihydro-(benzo-1,3-thiazole)-2-methylidene)-quinolin ium tetraiodide (TOTO), to various double stranded DNA oligonucleotides. TOTO binds strongly to all the oligonucleotides used, but usually more than one complex is observed and exchange between different binding sites broadens the lines in the NMR spectra. Complete precipitation occurs when TOTO is bound to small oligonucleotides. Binding to larger oligonucleotides occurs by bis-intercalation. The 1:1 complex of TOTO with the oligonucleotide d(CCGACTGATGC):d (GCATCAGTCGG) gave only one complex that was shown to be a bis-intercalation in the CTGA:TCAG binding site. The binding to this site was also characterized by studying the TOTO complex with the d(CCGCTGAGC):d(GCTCAGCGG) oligonucleotide. NOE connectivities and molecular modelling were used to characterize the complex. The 1:1 complex of TOTO with the oligonucleotide d(CCGCTAGCG):d(CGCTAGCGG) containing a CTAG:CTAG binding site was similarly characterized by NMR. It was concluded that the binding of TOTO to larger oligonucleotides is site selective with CTAG:CTAG as the preferred binding site. PMID:7708489

  10. Interlayer interaction in Ca-Fe layered double hydroxides intercalated with nitrate and chloride species

    NASA Astrophysics Data System (ADS)

    Al-Jaberi, Muayad; Naille, Sébastien; Dossot, Manuel; Ruby, Christian

    2015-12-01

    Ca-Fe layered double hydroxide (LDH) intercalated with chloride and nitrate ions has been synthesized with varying CaII:FeIII molar ratios of the initial solution. Phase pure LDH is observed with CaII:FeIII molar ratio of 2:1 and a mixture of LDH and Ca(OH)2 is formed for CaII:FeIII molar ratios higher than 2:1. Vibrational spectroscopies (Raman and IR) were used successfully to understand the interaction between the cationic and anionic sheets. The Raman bands positions at lower frequencies (150-600 cm-1) are intimately correlated to the nature of the divalent and trivalent ions but also to the nature of the anions. Indeed, a shift of ˜9 cm-1 is observed for the Raman double bands situated in the 300-400 cm-1 region when comparing Raman spectra of CaFe-LDH containing either nitrate or chloride ions. Two types of nitrate environments are observed namely free (non-hydrogen bonded) nitrate and nitrate hydrogen bonded to the interlayer water or to the 'brucite-like' hydroxyl surface. Multiple types of water structure are observed and would result from different hydrogen bond structures. Water bending modes are identified at 1645 cm-1 greater than the one observed for LDH intercalated with chloride anions (1618 cm-1), indicating that the water is strongly hydrogen bonded to the nitrate anions.

  11. Mechanical properties of the sodium montmorillonite interlayer intercalated with amino acids.

    PubMed

    Katti, Dinesh R; Ghosh, Pijush; Schmidt, Steven; Katti, Kalpana S

    2005-01-01

    Nanosized montmorillonite clay dispersed in small amounts in polymer results in polymer nanocomposites having superior engineering properties compared to those of the native polymer. These nanoinclusions are created by treating clay with an organic modifier which makes clay organophilic and results in intercalation or exfoliation of the montmorillonite. The modifiers used are usually long carbon chains with alkylammonium or alkylphosphonium cations. In this work, we have investigated the use of some alternative molecules which can act as modifiers for clay composites using clay for reinforcing a matrix of biopeptides or proteins. Such composites have potential applications in the fields of biomedical engineering and pharmaceutical science. In this work, the amino acids arginine and lysine are used as modifiers. The intercalation and mechanical behavior of the interlayer spacing with these amino acids as inclusions under compression and tension are studied using molecular dynamics simulations. Significant differences in the responses are observed. This work also provides an insight into the orientation and interaction of amino acids in the interlayer under different stress paths. PMID:16283756

  12. Measurement of fundamental illite particle thicknesses by X-ray diffraction using PVP-10 intercalation

    USGS Publications Warehouse

    Eberl, D.D.; Nuesch, R.; Sucha, V.; Tsipursky, S.

    1998-01-01

    The thicknesses of fundamental illite particles that compose mixed-layer illite-smectite (I-S) crystals can be measured by X-ray diffraction (XRD) peak broadening techniques (Bertaut-Warren-Averbach [BWA] method and integral peak-width method) if the effects of swellinf and XRD background noise are eliminated from XRD patterns of the clays. Swelling is eliminated by intercalating Na-saturated I-S with polyvinylpyrrolidone having a molecular weightof 10,000 (PVP-10). Background is minimized by using polished metallic silicon wafers cut perpendicular to (100) as a substrate for XRD specimens, and by using a single-crystal monochromator. XRD measurements of PVP-intercalated diagenetic, hydro-thermal and low-grade metamorphic I-S indicate that there at least 2 type of crystallite thickness distribution shapes for illite fundamental particles, lognormal and asymptotic; that measurements of mean fundamental illite particle thicknesses made by various techniques (Bertaut-Warren-Averbach, integral peak width, fixed cation content, and transmission electron microscopy [TEM]) give comparable results; and that strain (small difference in layer thicknesses) generally has a Gaussian distribution in the lognormal-type illites, but is often absent in the asymptotic-type illites.

  13. Regulation of proximal-distal intercalation during limb regeneration in the axolotl (Ambystoma mexicanum).

    PubMed

    Satoh, Akira; Cummings, Gillian M C; Bryant, Susan V; Gardiner, David M

    2010-12-01

    Intercalation is the process whereby cells located at the boundary of a wound interact to stimulate proliferation and the restoration of the structures between the boundaries that were lost during wounding. Thus, intercalation is widely considered to be the mechanism of regeneration. When a salamander limb is amputated, the entire cascade of regeneration events is activated, and the missing limb segments and their boundaries (joints) as well as the structures within each segment are regenerated. Therefore, in an amputated limb it is not possible to distinguish between intersegmental regeneration (formation of new segments/joints) and intrasegmental regeneration (formation of structures within a given segment), and it is not possible to study the differential regulation of these two processes. We have used two models for regeneration that allow us to study these two processes independently, and report that inter- and intrasegmental regeneration are different processes regulated by different signaling pathways. New limb segments/joints can be regenerated from cells that dedifferentiate to form blastema cells in response to signaling that is mediated in part by fibroblast growth factor.

  14. Methotrexatum intercalated layered double hydroxides: statistical design, mechanism explore and bioassay study.

    PubMed

    Wang, Xiao-Feng; Liu, Su-Qing; Li, Shu-Ping

    2015-04-01

    A series of methotrexatum intercalated layered double hydroxide (MTX/LDH for short) hybrids have been synthesized by a mechanochemical-hydrothermal method, the statistical experiments are planned and conducted to find out the critical factor influencing the physicochemical properties. Four variables, i.e., addition of NaOH solution, grinding duration, hydrothermal temperature and time, are chosen to play as the examined factors in the orthogonal design. Furthermore, three respective levels, i.e., high, medium and low levels, are conducted in the design. The resulting hybrids are then characterized by X-ray diffraction (XRD) patterns, transmission electron microscope (TEM) graphs and Zeta potentials. XRD diffractions indicate that MTX anions have been successfully intercalated into LDH interlayers and the amount of NaOH solution can change the gallery height greatly. The information from TEM graphs and Zeta potentials state that the increase of alkali solution gives rise to regular morphology and the increase of Zeta potentials. As a result of the statistical analysis, addition of alkali solution is the major factor affecting the morphology and drug-loading capacity. At last, the mechanism of particle growth is explored emphatically, and the anticancer efficacy of some MTX/LDH hybrids is estimated by MTT assay on A549 cells as well.

  15. Silicon Layer Intercalation and Interface Properties between Graphene and Metal hosts

    NASA Astrophysics Data System (ADS)

    Wang, Yeliang; Mao, Jinhai; Meng, Lei; Gao, Hongjun; Junfeng He Collaboration; Shixuan Du Collaboration; Xingjiang Zhou Collaboration; A. H. Castro Neto Collaboration

    2013-03-01

    Graphene is being considered as a contender as the reference material with extraordinary properties for a post-CMOS technology. The availability of high quality and large scale single crystal graphene is fundamental for it to fulfill its promise in electronic applications. Graphene is usually grown on a metallic substrate from which it has to be transferred before it can be used. However, uncontrolled shear and strain, associated with the transfer and the presence of extended domains, lead to unavoidable tearing, rendering it useless for scalable production. We propose a way to overcome this bottleneck and produce high quality, free standing graphene by intercalating Si in graphene epitaxially grown on metals, like Ru(0001) & Ir(111). This G/Si/metal architecture, produced by the silicon-layer intercalation approach (SIA), was characterized by STM/STS, Raman, and angle resolved electron photoemission spectroscopy (ARPES) and proves the high structural and electronic qualities of the new composite. The SIA eliminates the need for the graphene transfer and also allows for an atomic control of the distance between the graphene and the metal. Graphene Research Center, Singapore National University.

  16. Atomic intercalation - a practical method to determine the nanoscale adhesion energy of graphene on HOPG

    NASA Astrophysics Data System (ADS)

    Wang, Jun; Sorescu, Dan; Jeon, Seokmin; Belianinov, Alexei; Kalinin, Sergei; Baddorf, Arthur; Maksymovych, Petro

    A detailed analysis of atomic intercalates in graphite provides a direct estimate of the nanoscale elastic adhesion of a graphene sheet atop highly ordered pyrolytic graphite (HOPG). Atomic intercalation is carried out using conventional ion sputtering, creating ``blisters'' in the top-most layer of the HOPG surface. Scanning tunneling microscopy coupled with image analysis and density functional theory is used to reconstruct the atomic positions and the strain map within the deformed graphene sheet. To estimate the adhesion energy we invoke an analytical model originally devised for macroscopic deformations of graphene. This model yields a value of is 0.221 +/- 0.011 J/m2 for the adhesion energy of graphite, which is in surprisingly good agreement with reported experimental and theoretical values. This implies that mechanical properties of graphene scale at least to lengths of a few nanometers. The simplicity of our method enables analysis of elastic mechanical properties in many two-dimensional layered materials and provides a unique opportunity to investigate the local variability of mechanical properties on the nanoscale. Acknowledgements: Experiments were conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility.

  17. Pitx2, an Atrial Fibrillation Predisposition Gene, Directly Regulates Ion Transport and Intercalated Disc Genes

    PubMed Central

    Tao, Ye; Zhang, Min; Li, Lele; Bai, Yan; Zhou, Yuefang; Moon, Anne M.; Kaminski, Henry J.; Martin, James F.

    2014-01-01

    Background Pitx2 is the homeobox gene located in proximity to the human 4q25 familial atrial fibrillation locus. When deleted in the mouse germline, Pitx2 haploinsufficiency predisposes to pacing induced atrial fibrillation indicating that reduced Pitx2 promotes an arrhythmogenic substrate. Previous work focused on Pitx2 developmental functions that predispose to atrial fibrillation. Although Pitx2 is expressed in postnatal left atrium, it is unknown whether Pitx2 has distinct postnatal and developmental functions. Methods and Results To investigate Pitx2 postnatal function, we conditionally inactivated Pitx2 in the postnatal atrium while leaving its developmental function intact. Unstressed adult Pitx2 homozygous mutant mice display variable R-R interval with diminished P-wave amplitude characteristic of sinus node dysfunction, an atrial fibrillation risk factor in human patients. An integrated genomics approach in the adult heart revealed Pitx2 target genes encoding cell junction proteins, ion channels, and critical transcriptional regulators. Importantly, many Pitx2 target genes have been implicated in human atrial fibrillation by genome wide association studies. Immunofluorescence and transmission electron microscopy studies in adult Pitx2 mutant mice revealed structural remodeling of the intercalated disc characteristic of human atrial fibrillation patients. Conclusions Our findings, revealing that Pitx2 has genetically separable postnatal and developmental functions, unveil direct Pitx2 target genes that include channel and calcium handling genes as well as genes that stabilize the intercalated disc in postnatal atrium. PMID:24395921

  18. Intercalation and Retention of Carbon Dioxide in a Smectite Clay promoted by Interlayer Cations

    PubMed Central

    Michels, L.; Fossum, J. O.; Rozynek, Z.; Hemmen, H.; Rustenberg, K.; Sobas, P. A.; Kalantzopoulos, G. N.; Knudsen, K. D.; Janek, M.; Plivelic, T. S.; da Silva, G. J.

    2015-01-01

    A good material for CO2 capture should possess some specific properties: (i) a large effective surface area with good adsorption capacity, (ii) selectivity for CO2, (iii) regeneration capacity with minimum energy input, allowing reutilization of the material for CO2 adsorption, and (iv) low cost and high environmental friendliness. Smectite clays are layered nanoporous materials that may be good candidates in this context. Here we report experiments which show that gaseous CO2 intercalates into the interlayer nano-space of smectite clay (synthetic fluorohectorite) at conditions close to ambient. The rate of intercalation, as well as the retention ability of CO2 was found to be strongly dependent on the type of the interlayer cation, which in the present case is Li+, Na+ or Ni2+. Interestingly, we observe that the smectite Li-fluorohectorite is able to retain CO2 up to a temperature of 35°C at ambient pressure, and that the captured CO2 can be released by heating above this temperature. Our estimates indicate that smectite clays, even with the standard cations analyzed here, can capture an amount of CO2 comparable to other materials studied in this context. PMID:25739522

  19. Photoluminescence of new Tb3+-intercalated octosilicates depending on phase transition caused by annealing

    NASA Astrophysics Data System (ADS)

    Chen, Yufeng; Yan, Yudong; Bao, Yao; Zou, Yan

    2016-08-01

    A new Tb3+-intercalated layered octosilicate (Tb-Oct) was prepared through protonation, exfoliation and intercalation processing. Photoluminescence of the Tb-Oct silicates dependant of phase transition has been investigated in detail. The emissions attributed to 5D4-7FJ (J = 3, 4, 5, 6) transition of Tb3+were observed from the emission spectra of the as-prepared Tb-Oct silicates. After the as-prepared Tb-Oct silicates thermal treatment at 200 °C, all diffraction peaks disappeared, suggesting the collapse of layered structure. With the increase in the annealing temperature from 200 to 1000 °C, no diffraction peaks appeared in all the annealed samples. Photoluminescence spectra show that the green emission ascribed to 5D4-7F5 transition of Tb3+ markedly increased as the sample was annealed at 800 °C. However, this green emission disappeared while the sample was annealed at 400, 600, and 1000 °C, which may relate to actual surroundings of Tb3+ ions. That is, the amorphous phase formed at 800 °C is more favorable for the green emission of Tb3+.

  20. Electrochromism and small-polaron hopping in oxygen deficient and lithium intercalated amorphous tungsten oxide films

    NASA Astrophysics Data System (ADS)

    Triana, C. A.; Granqvist, C. G.; Niklasson, G. A.

    2015-07-01

    Thin films of Li x WO 3 - z with 0 ≤ x ≤ 0.27 and 0 ≤ z ≤ 0.27 were prepared by sputter deposition followed by electrochemical lithiation. Kramers-Kronig-consistent complex dielectric functions were obtained for these films by numerical inversion of experimental spectra of optical transmittance and reflectance by using a superposition of Tauc-Lorentz and Lorentz oscillator models. Low-energy optical absorption bands were induced by oxygen vacancies and/or by electrochemical intercalation of Li+ species together with charge compensating electrons. The experimental optical conductivity was fitted to a small-polaron model for disordered systems with strong electron-phonon interaction, taking into account transitions near the Fermi level. The optical absorption is due to small-polaron hopping and associated with the formation of W5+ states due to transfer of electrons from oxygen vacancies and/or insertion of Li+ species. The results also show increases in the Fermi level, caused by oxygen deficiency or Li+ insertion, which occur along with a band gap shift towards higher energies for the Li+ intercalated films.