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Sample records for intercalating agents evidence

  1. Effect of Intercalation Agents on Morphology of Exfoliated Kaolinite

    OpenAIRE

    Xiaochao Zuo; Ding Wang; Shilong Zhang; Qinfu Liu; Huaming Yang

    2017-01-01

    Kaolinite intercalation compounds were prepared by intercalating fatty acids and quaternary ammonium salts into kaolinite layers, using methanol-grafted kaolinite as the precursor. Meanwhile, massive lamellas were exfoliated during the intercalation process. The interlayer structure, chemical bonding and morphology of kaolinite before and after intercalation were characterized in detail. As the alkyl chain length increases, the basal spacing of kaolinite increases gradually. The morphology an...

  2. 3,6-Bis(3-alkylguanidino)acridines as DNA-intercalating antitumor agents

    Czech Academy of Sciences Publication Activity Database

    Plšíková, J.; Janovec, L.; Koval, J.; Ungvarsky, J.; Mikeš, J.; Jendželovský, R.; Fedoročko, P.; Imrich, J.; Kristian, P.; Kašpárková, Jana; Brabec, Viktor; Kozurková, M.

    2012-01-01

    Roč. 57, č. 2012 (2012), s. 283-295 ISSN 0223-5234 Institutional research plan: CEZ:AV0Z50040702 Keywords : acridine * DNA intercalator * antitumor agents Subject RIV: BO - Biophysics Impact factor: 3.499, year: 2012

  3. Intercalation and structural aspects of macroRAFT agents into MgAl layered double hydroxides

    Directory of Open Access Journals (Sweden)

    Dessislava Kostadinova

    2016-12-01

    Full Text Available Increasing attention has been devoted to the design of layered double hydroxide (LDH-based hybrid materials. In this work, we demonstrate the intercalation by anion exchange process of poly(acrylic acid (PAA and three different hydrophilic random copolymers of acrylic acid (AA and n-butyl acrylate (BA with molar masses ranging from 2000 to 4200 g mol−1 synthesized by reversible addition-fragmentation chain transfer (RAFT polymerization, into LDH containing magnesium(II and aluminium(III intralayer cations and nitrates as counterions (MgAl-NO3 LDH. At basic pH, the copolymer chains (macroRAFT agents carry negative charges which allowed the establishment of electrostatic interactions with the LDH interlayer and their intercalation. The resulting hybrid macroRAFT/LDH materials displayed an expanded interlamellar domain compared to pristine MgAl-NO3 LDH from 1.36 nm to 2.33 nm. Depending on the nature of the units involved into the macroRAFT copolymer (only AA or AA and BA, the intercalation led to monolayer or bilayer arrangements within the interlayer space. The macroRAFT intercalation and the molecular structure of the hybrid phases were further characterized by Fourier transform infrared (FTIR and solid-state 13C, 1H and 27Al nuclear magnetic resonance (NMR spectroscopies to get a better description of the local structure.

  4. Bifunctional Rhodium Intercalator Conjugates as Mismatch-Directing DNA Alkylating Agents

    OpenAIRE

    Schatzschneider, Ulrich; Barton, Jacqueline K.

    2004-01-01

    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 covale...

  5. Bifunctional rhodium intercalator conjugates as mismatch-directing DNA alkylating agents.

    Science.gov (United States)

    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. Bulk evidence for single-Gap s-wave superconductivity in the intercalated graphite superconductor C6Yb.

    Science.gov (United States)

    Sutherland, Mike; Doiron-Leyraud, Nicolas; Taillefer, Louis; Weller, Thomas; Ellerby, Mark; Saxena, S S

    2007-02-09

    We report measurements of the in-plane electrical resistivity rho and thermal conductivity kappa of the intercalated graphite superconductor C6Yb down to temperatures as low as Tc/100. When a field is applied along the c axis, the residual electronic linear term kappa0/T evolves in an exponential manner for Hc1evidence for an s-wave order parameter, and is a strong argument against the possible existence of multigap superconductivity.

  7. Formation and rejoining of deoxyribonucleic acid double-strand breaks induced in isolated cell nuclei by antineoplastic intercalating agents.

    Science.gov (United States)

    Pommier, Y; Schwartz, R E; Kohn, K W; Zwelling, L A

    1984-07-03

    The biochemical characteristics of the formation and disappearance of intercalator-induced DNA double-strand breaks (DSB) were studied in nuclei from mouse leukemia L1210 cells by using filter elution methodology [Bradley, M. O., & Kohn, K.W. (1979) Nucleic Acids Res. 7, 793-804]. The three intercalators used were 4'-(9-acridinylamino)-methanesulfon-m-anisidide (m-AMSA), 5-iminodaunorubicin (5-ID), and ellipticine. These compounds differ in that they produced predominantly DNA single-strand breaks (SSB) (m-AMSA) or predominantly DNA double-strand breaks (ellipticine) or a mixture of both SSB and DSB (5-ID) in whole cells. In isolated nuclei, each intercalator produced DSB at a frequency comparable to that which is produced in whole cells. Moreover, these DNA breaks reversed within 30 min after drug removal. It thus appeared that neither ATP nor other nucleotides were necessary for intercalator-dependent DNA nicking-closing reactions. The formation of the intercalator-induced DSB was reduced at ice temperature. Break formation was also reduced in the absence of magnesium, at a pH above 6.4 and at NaCl concentrations above 200 mM. In the presence of ATP and ATP analogues, the intercalator-induced cleavage was enhanced. These results suggest that the intercalator-induced DSB are enzymatically mediated and that the enzymes involved in these reactions can catalyze DNA double-strand cleavage and rejoining in the absence of ATP, although the occupancy of an ATP binding site might convert the enzyme to a form more reactive to intercalators. Three inhibitors of DNA topoisomerase II--novobiocin, nalidixic acid, and norfloxacin--reduced the formation of DNA strand breaks.(ABSTRACT TRUNCATED AT 250 WORDS)

  8. Noncovalent DNA Binding Drives DNA Alkylation by Leinamycin. Evidence That the Z,E-5-(Thiazol-4-yl)-penta-2,4-dienone Moiety of the Natural Product Serves As An Atypical DNA Intercalator

    Science.gov (United States)

    Fekry, Mostafa I.; Szekely, Jozsef; Dutta, Sanjay; Breydo, Leonid; Zang, Hong; Gates, Kent S.

    2012-01-01

    Molecular recognition and chemical modification of DNA are important in medicinal chemistry, toxicology, and biotechnology. Historically, natural products have revealed many interesting and unexpected mechanisms for noncovalent DNA binding and covalent DNA modification. The studies reported here characterize the molecular mechanisms underlying the efficient alkylation of duplex DNA by the Streptomyces-derived natural product leinamycin. Previous studies suggested that alkylation of duplex DNA by activated leinamycin (2) is driven by noncovalent association of the natural product with the double helix. This is striking because leinamycin does not contain a classical noncovalent DNA-binding motif such as an intercalating unit, a groove binder, or a polycation. The experiments described here provide evidence that leinamycin is an atypical DNA-intercalating agent. A competition binding assay involving daunomycin-mediated inhibition of DNA alkylation by leinamycin provided evidence that activated leinamycin binds to duplex DNA with an apparent binding constant of approximately 4.3 ± 0.4 × 103 M−1. Activated leinamycin caused duplex unwinding and hydrodynamic changes in DNA-containing solutions that are indicative of DNA intercalation. Characterization of the reaction of activated leinamycin with palindromic duplexes containing 5'-CG and 5'-GC target sites, bulge-containing duplexes, and 5-methylcytosine-containing duplexes provided evidence regarding the orientation of leinamycin with respect to target guanine residues. The data allows construction of a model for the leinamycin-DNA complex suggesting how a modest DNA-binding constant combines with proper positioning of the natural product to drive efficient alkylation of guanine residues in the major groove of duplex DNA. PMID:21954957

  9. Semi-automated high-throughput fluorescent intercalator displacement-based discovery of cytotoxic DNA binding agents from a large compound library.

    Science.gov (United States)

    Glass, Lateca S; Bapat, Aditi; Kelley, Mark R; Georgiadis, Millie M; Long, Eric C

    2010-03-01

    High-throughput fluorescent intercalator displacement (HT-FID) was adapted to the semi-automated screening of a commercial compound library containing 60,000 molecules resulting in the discovery of cytotoxic DNA-targeted agents. Although commercial libraries are routinely screened in drug discovery efforts, the DNA binding potential of the compounds they contain has largely been overlooked. HT-FID led to the rapid identification of a number of compounds for which DNA binding properties were validated through demonstration of concentration-dependent DNA binding and increased thermal melting of A/T- or G/C-rich DNA sequences. Selected compounds were assayed further for cell proliferation inhibition in glioblastoma cells. Seven distinct compounds emerged from this screening procedure that represent structures unknown previously to be capable of targeting DNA leading to cell death. These agents may represent structures worthy of further modification to optimally explore their potential as cytotoxic anti-cancer agents. In addition, the general screening strategy described may find broader impact toward the rapid discovery of DNA targeted agents with biological activity. Copyright 2010 Elsevier Ltd. All rights reserved.

  10. Direct experimental evidence for the reversal of carrier type upon hydrogen intercalation in epitaxial graphene/SiC(0001)

    Energy Technology Data Exchange (ETDEWEB)

    Rajput, S., E-mail: srajput@uwm.edu; Li, Y. Y.; Li, L. [Department of Physics, University of Wisconsin, Milwaukee, Wisconsin 53211 (United States)

    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)

  11. DNA-directed alkylating ligands as potential antitumor agents: sequence specificity of alkylation by intercalating aniline mustards.

    Science.gov (United States)

    Prakash, A S; Denny, W A; Gourdie, T A; Valu, K K; Woodgate, P D; Wakelin, L P

    1990-10-23

    The sequence preferences for alkylation of a series of novel parasubstituted aniline mustards linked to the DNA-intercalating chromophore 9-aminoacridine by an alkyl chain of variable length were studied by using procedures analogous to Maxam-Gilbert reactions. The compounds alkylate DNA at both guanine and adenine sites. For mustards linked to the acridine by a short alkyl chain through a para O- or S-link group, 5'-GT sequences are the most preferred sites at which N7-guanine alkylation occurs. For analogues with longer chain lengths, the preference of 5'-GT sequences diminishes in favor of N7-adenine alkylation at the complementary 5'-AC sequence. Magnesium ions are shown to selectively inhibit alkylation at the N7 of adenine (in the major groove) by these compounds but not the alkylation at the N3 of adenine (in the minor groove) by the antitumor antibiotic CC-1065. Effects of chromophore variation were also studied by using aniline mustards linked to quinazoline and sterically hindered tert-butyl-9-aminoacridine chromophores. The results demonstrate that in this series of DNA-directed mustards the noncovalent interactions of the carrier chromophores with DNA significantly modify the sequence selectivity of alkylation by the mustard. Relationships between the DNA alkylation patterns of these compounds and their biological activities are discussed.

  12. High-resolution 13C nuclear magnetic resonance evidence of phase transition of Rb,Cs-intercalated single-walled nanotubes

    KAUST Repository

    Bouhrara, M.

    2011-09-06

    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.

  13. Morphological Evaluation of Variously Intercalated Pre-baked Clay

    Directory of Open Access Journals (Sweden)

    Ullah Hameed

    2014-06-01

    Full Text Available The use of porous materials is enjoying tremendous popularity and attention of the advance scientific communities due to their excellent adsorptive and catalytic activities. Clays are one of the most important candidates in the porous community which shows the above mentioned activities after modifing with a different intercalating agent. The paper is focused on the infiuence of some inorganic intercalating agents (NaOH on the morphology of the variously intercalated clay samples. The alkali metal was used as the inorganic intercalating agent. The effect of intercalation temperature, intercalation agent concentration and intercalation time on the pre-baked clay morphology were also part of the study. Scanning electron microscopy (SEM study was performed to evaluate the morphological changes of the resultant intercalates. Different morphological properties were improved significantly in the case of the inorganically modified clay samples. Thus, such intercalations are suggested to be effective if the clays under study are to be used for different industrial process at elevated conditions.

  14. Superconductivity in graphite intercalation compounds

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Robert P. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Weller, Thomas E.; Howard, Christopher A. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Dean, Mark P.M. [Department of Condensed Matter Physics and Materials Science, Brookhaven National Laboratory, Upton, NY 11973 (United States); Rahnejat, Kaveh C. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Saxena, Siddharth S. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Ellerby, Mark, E-mail: mark.ellerby@ucl.ac.uk [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom)

    2015-07-15

    Highlights: • Historical background of graphite intercalates. • Superconductivity in graphite intercalates and its place in the field of superconductivity. • Recent developments. • Relevant modeling of superconductivity in graphite intercalates. • Interpretations that pertain and questions that remain. - Abstract: The field of superconductivity in the class of materials known as graphite intercalation compounds has a history dating back to the 1960s (Dresselhaus and Dresselhaus, 1981; Enoki et al., 2003). This paper recontextualizes the field in light of the discovery of superconductivity in CaC{sub 6} and YbC{sub 6} 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 these relate 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.

  15. Intercalation events visualized in single microcrystals of graphite.

    Science.gov (United States)

    White, Edward R; Lodico, Jared J; Regan, B C

    2017-12-06

    The electrochemical intercalation of layered materials, particularly graphite, is fundamental to the operation of rechargeable energy-storage devices such as the lithium-ion battery and the carbon-enhanced lead-acid battery. Intercalation is thought to proceed in discrete stages, where each stage represents a specific structure and stoichiometry of the intercalant relative to the host. However, the three-dimensional structures of the stages between unintercalated and fully intercalated are not known, and the dynamics of the transitions between stages are not understood. Using optical and scanning transmission electron microscopy, we video the intercalation of single microcrystals of graphite in concentrated sulfuric acid. Here we find that intercalation charge transfer proceeds through highly variable current pulses that, although directly associated with structural changes, do not match the expectations of the classical theories. Evidently random nanoscopic defects dominate the dynamics of intercalation.

  16. Raman microprobe observation of intercalate contraction in graphite intercalation compounds

    Science.gov (United States)

    McNeil, L. E.; Steinbeck, J.; Salamanca-Riba, L.; Dresselhaus, G.

    1985-02-01

    Raman microprobe spectra of SbCl5, Br2, and FeCl3 graphite intercalation compounds have been obtained with a spatial resolution of 2 μm. Depletion of the intercalate was observed within 10 μm of the sample edge in the SbCl5-graphite samples, and this observation is found to be consistent with a model in which the intercalate contracts thermally as the sample is cooled after the intercalation reaction is completed. No depletion was observed in the Br2 and FeCl3 graphite intercalation compounds, consistent with the low intercalation temperature of the former and the small thermal expansion coefficient of the latter.

  17. Public extension agents' need for new competencies: evidence from ...

    African Journals Online (AJOL)

    Small yield differences between Extension service-recipients and non-recipients indicate that Extension support has minimal effect on farmers' production. Agents need new competencies regarding correct application conservation agriculture. The study recommends the involvement of extension agents, scientists and ...

  18. Modafinil as a catecholaminergic agent: empirical evidence and unanswered questions

    Directory of Open Access Journals (Sweden)

    Jonathan P Wisor

    2013-10-01

    Full Text Available Modafinil, in its two clinical formulations (Provigil® and Nuvigil®, is a widely prescribed wake-promoting therapeutic agent. It binds competitively to the cell membrane dopamine transporter and is dependent on catecholaminergic (dopaminergic and adrenergic signaling for its wake-promoting effects. The clinical spectrum of effects for modafinil is distinct from the effects seen with other catecholaminergic agents. Relative to other commonly used agents that act through catecholaminergic mechanisms, modafinil has a relatively low abuse potential, produces wakefulness with an attenuated compensatory sleep recovery thereafter, and does not ameliorate cataplexy in narcolepsy. These clinically relevant phenomenological differences between modafinil and agents such as amphetamines and cocaine do not eliminate catecholaminergic effects as a possible mediator of its wake-promoting action; they merely reflect its unique pharmacological profile. Modafinil is an exceptionally weak, but apparently very selective, dopamine transporter inhibitor. The pharmacodynamic response to modafinil, as measured by dopamine levels in brain microdialysate, is protracted relative to other agents that act via catecholaminergic mechanisms. The conformational constraints on the interaction of modafinil with the dopamine transporter—and probably, as a consequence, its effects on trace amine receptor signaling in the catecholaminergic cell—are unique among catecholaminergic agents. These unique pharmacological properties of modafinil should be considered both in seeking to thoroughly understand its putatively elusive mechanism of action and in the design of novel therapeutic agents.

  19. Stabilization of chromosomes by DNA intercalators for flow karyotyping and identification by banding of isolated chromosomes

    NARCIS (Netherlands)

    Aten, J. A.; Buys, C. H.; van der Veen, A. Y.; Mesa, J. R.; Yu, L. C.; Gray, J. W.; Osinga, J.; Stap, J.

    1987-01-01

    A number of structurally unrelated DNA intercalators have been studied as stabilizers of mitotic chromosomes during isolation from rodent and human metaphase cells. Seven out of the nine intercalators tested were found to be useful as chromosome stabilizing agents. Chromosome suspensions prepared in

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

    Science.gov (United States)

    Banerjee, T; Banerjee, S; 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.

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

    Directory of Open Access Journals (Sweden)

    T Banerjee

    Full Text Available 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.

  2. Magnetism in intercalated graphene

    Energy Technology Data Exchange (ETDEWEB)

    Ali, Sajid [Department of Electrical Engineering, Indian Institute of Technology Madras, Chennai – 600036 (India); Nanda, B. R. K. [Department of Physics, Indian Institute of Technology Madras, Chennai – 600036 (India)

    2016-05-23

    Using density functional calculations we explore the possibilities of inducing spin moments in otherwise non-magnetic electronic structure of graphene. Through intercalation of H, N, O and F atoms between two hexagonal stacked graphene layers, we show that unpaired electrons can be generated when the planar coordinates of the functional atoms coincide with the center of the graphene hexagon. The spin-half states are realized at the functional sites for certain values of interlayer separations. For oxygen and fluorine these interlayer separations represent the natural stable phases and for hydrogen and nitrogen they induce instability which can be overcome by applying external pressure. We attribute the formation of spin-half states to the one dimensional confinement potential exerted by the graphene layers on the valence electrons of the functional elements.

  3. Animals as sentinels of chemical terrorism agents: an evidence-based review.

    Science.gov (United States)

    Rabinowitz, Peter; Wiley, James; Odofin, Lynda; Wilcox, Matthew; Dein, F Joshua

    2008-02-01

    The goal of this systematic review was to identify evidence that animals could serve as sentinels of an attack with a chemical terrorism agent. The biomedical literature was systematically searched for evidence that wild or domestic animals exposed to certain chemical weapons of terrorism had either greater susceptibility, shorter latency period, or increased exposure risk versus humans. Additionally, we searched for documented reports of such animals historically serving as sentinels for chemical warfare agents. For a small number of agents, there was limited evidence that domestic and/or wild animals could provide sentinel information to humans following an airborne attack with chemical agents, usually related to increased potential for environmental exposure. Some of this evidence was based on anecdotal case reports, and in many cases high quality chemical terrorism agent evidence regarding comparative susceptibility, exposure, and latency between humans and sentinel animal species was not found. Currently, there is insufficient evidence for routine use of animals as sentinels for airborne chemical warfare agents. At the same time, Poison Center surveillance systems should include animal calls, and greater communication between veterinarians and physicians could help with preparedness for a chemical terrorism attack. Further analysis of comparative chemical warfare agent toxicity between sentinel animal species and humans is needed.

  4. Interntional Migration with Heterogeneous Agents: Theory and Evidence

    DEFF Research Database (Denmark)

    Schröder, Philipp J.H.; Brücker, Herbert

    Two puzzling facts of international migration are that only a small share of a sending country's population emigrates and that net migration rates tend to cease over time. This paper addresses these issues in a migration model with heterogeneous agents that features temporary migration....... In equilibrium a positive relation exists between the stock of migrants and the income differential, while the net migration flow becomes zero. Consequently, empirical migration models, estimating net migration flows instead of stocks, may be misspecified. This suspicion appears to be confirmed by our empirical...... investigation of cointegration relationships of flow and stock migration models....

  5. Naturally Occurring Wound Healing Agents: An Evidence-Based Review.

    Science.gov (United States)

    Karapanagioti, E G; Assimopoulou, A N

    2016-01-01

    Nature constitutes a pool of medicines for thousands of years. Nowadays, trust in nature is increasingly growing, as many effective medicines are naturally derived. Over the last decades, the potential of plants as wound healing agents is being investigated. Wounds and ulcers affect the patients' life quality and often lead to amputations. Approximately 43,000,000 patients suffer from diabetic foot ulcers worldwide. Annually, $25 billion are expended for the treatment of chronic wounds, with the number growing due to aging population and increased incidents of diabetes and obesity. Therefore a timely, orderly and effective wound management and treatment is crucial. This paper aims to systematically review natural products, mainly plants, with scientifically well documented wound healing activity, focusing on articles based on animal and clinical studies performed worldwide and approved medicinal products. Moreover, a brief description of the wound healing mechanism is presented, to provide a better understanding. Although a plethora of natural products are in vitro and in vivo evaluated for wound healing activity, only a few go through clinical trials and even fewer launch the market as approved medicines. Most of them rely on traditional medicine, indicating that ethnopharmacology is a successful strategy for drug development. Since only 6% of plants have been systematically investigated pharmacologically, more intensified efforts and emerging advancements are needed to exploit the potentials of nature for the development of novel medicines. This paper aims to provide a reliable database and matrix for thorough further investigation towards the discovery of wound healing agents.

  6. International Migration with Heterogeneous Agents: Theory and Evidence

    DEFF Research Database (Denmark)

    Schröder, Philipp J.H.; Brücker, Herbert

    Temporary migration, though empirically relevant, is often ignored in formal models. This paper proposes a migration model with heterogeneous agents and persistent cross country income differentials that features temporary migration. In equilibrium there exists a positive relation between the stock...... of migrants and the income differential, while the net migration flow becomes zero. Consequently, existing empirical migration models, estimating net migration flows, instead of stocks, may be misspecified. This suspicion appears to be confirmed by our investigation of the cointegration relationships...... of German migration stocks and flows since 1967. We find that (i) panel-unit root tests reject the hypothesis that migration flows and the explanatory variables are integrated of the same order, while migration stocks and the explanatory variables are all I(1) variables, and (ii) the hypothesis...

  7. Fast photoinduced electron transfer through DNA intercalation.

    Science.gov (United States)

    Murphy, C J; Arkin, M R; Ghatlia, N D; Bossmann, S; Turro, N J; Barton, J K

    1994-01-01

    We report evidence for fast photoinduced electron transfer mediated by the DNA helix that requires metal complexes that are avid intercalators of DNA. Here the donor bis(phenanthroline)(dipyridophenazine)ruthenium(II) [Ru(phen)2dppz2+] and acceptor bis(9,10-phenanthrenequinone diimine)(phenanthroline)rhodium(III) [Rh(phi)2phen3+] intercalate into DNA with Kb > 10(6) M-1. Luminescence quenching experiments in the presence of two different lengths of DNA yield upward-curving Stern-Volmer plots and the loss of luminescence intensity far exceeds the change in emission lifetimes. In the presence of a nonintercalative electron acceptor, Ru(NH3)3+(6), Ru(phen)2dppz2+ luminescence is quenched much less efficiently compared to that found for the intercalative Rh(phi)2phen3+ quencher and follows linear Stern-Volmer kinetics; steady-state and time-resolved Stern-Volmer plots are comparable in scale. These experiments are consistent with a model involving fast long-range electron transfer between intercalators through the DNA helix. Images PMID:8202486

  8. Intercalation of Si between MoS2 layers

    NARCIS (Netherlands)

    van Bremen, Rik; Yao, Qirong; Banerjee, Soumya; Cakir, Deniz; Oncel, Nuri; Zandvliet, Harold J.W.

    2017-01-01

    We report a combined experimental and theoretical study of the growth of sub-monolayer amounts of silicon (Si) on molybdenum disulfide (MoS2). At room temperature and low deposition rates we have found compelling evidence that the deposited Si atoms intercalate between the MoS2 layers. Our evidence

  9. Teachers as Agents of Sustainable Peace, Social Cohesion and Development: Theory, Practice & Evidence

    Science.gov (United States)

    Novelli, Mario; Sayed, Yusuf

    2016-01-01

    This paper presents a "peace with social justice" framework for analysing the role of teachers as agents of sustainable peace, social cohesion and development and applies this to research evidence from Pakistan, Uganda, Myanmar and South Africa. The paper draws on evidence from a recently completed UNICEF and ESRC funded project on…

  10. Exfoliation of Hexagonal Boron Nitride via Ferric Chloride Intercalation

    Science.gov (United States)

    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.

  11. Intercalation chemistry and chemical bonding

    Science.gov (United States)

    Hagenmuller, Paul

    In contrast to amphoteric graphite, the layer-type oxides or chalcogenides generally play the role of acceptors in chemical or electrochemical intercalation reactions. Due to the more ionic character of the MO bonds, the structural evolution of the oxides may usually be explained on hand of electrostatic considerations, or in terms of cation oxido-reduction. For the more covalent chalcogenides, the occupancy of higher energy levels in the band structure by the transferred electrons constitute mostly a prevailing factor, giving rise to structural changes but also to modifications of the physical properties. The ionic character of the MO bonds accounts for the strong tendency of the oxides to undergo 2D→3D transformations as a result of intercalation processes. Such features are determining for the choice of the electrode materials for lithium-ion batteries as far as users require high electrode capacity, stability, and cyclability.

  12. Intercalation behavior of barium phenylphosphonate

    Czech Academy of Sciences Publication Activity Database

    Beneš, L.; Melánová, Klára; Svoboda, Jan; Zima, Vítězslav

    2010-01-01

    Roč. 71, č. 4 (2010), s. 530-533 ISSN 0022-3697. [15th International Symposium on Intercalation Compounds. Beijing, 11.05.2009-15.05.2009] R&D Projects: GA ČR GA203/08/0208 Institutional research plan: CEZ:AV0Z40500505 Keywords : inorganic compounds * organic compounds * X-ray diffraction Subject RIV: CA - Inorganic Chemistry Impact factor: 1.384, year: 2010

  13. Evidence of incompatibility for topical anionic agents used in conjunction with chlorhexidine gluconate: A systematic review

    Directory of Open Access Journals (Sweden)

    Gary Tran

    2016-07-01

    Full Text Available Chlorhexidine gluconate (CHG is a widely used antiseptic agent for skin and wound disinfection. The cationic properties of CHG may allow its inactivation and precipitation by anionic agents in commonly used topical agents. We conducted a systematic review by searching through PubMed, Cochrane Library, and Web of Science databases and selected original research articles reporting on CHG incompatibility, defined as inactivation or precipitation. The search yielded 22 publications that demonstrated CHG incompatibility via: 1 reduced antibacterial activity (carbomer, acrylates/C10-C30 alkyl acrylate crosspolymer, dentin, bovine serum albumin, copolymer M239144, sodium lauryl sulfate, heat-killed microbes, triethanolamine, and bark cork; and 2 visible precipitate formation (sodium hypochlorite, EDTA, saline, ethanol, andnystatin. Only three publications reported on CHG incompatibility in dermatology, specifically for carbomer, triethanolamine, and acrylates/C10-C30 alkyl acrylate crosspolymer. Although limited evidence linking CHG incompatibility and anionic agents exists, clinicians should carefully consider the nature of topical agents used if CHG is concurrently applied. Increased awareness of CHG incompatibility may result in better antibacterial activity thus ensuring optimal patient management.

  14. TEACHERS AS AGENTS OF SUSTAINABLE PEACE, SOCIAL COHESION AND DEVELOPMENT: THEORY, PRACTICE & EVIDENCE

    Directory of Open Access Journals (Sweden)

    Mario Novelli

    2016-12-01

    Full Text Available This paper presents a ‘peace with social justice’ framework for analysing the role of teachers as agents of sustainable peace, social cohesion and development and applies this to research evidence from Pakistan, Uganda, Myanmar and South Africa. The paper draws on evidence from a recently completed UNICEF and ESRC funded project on education and peacebuilding, and specifically from data gathered around the role of teachers. Drawing on rich fieldwork data collected between 2014‒2016 in each of the four countries, the paper will evidence the complex and contradictory role that teachers play in sustainable peace and development and its implications for teacher governance, teacher policy and teacher practice. The paper challenges the overly human capital driven logics of much teacher policy reform agendas and highlights the need and importance for a more holistic approach to teacher governance and management that recognises teachers’ multiple potential to contribute to both societal peace and development.

  15. A review of the evidence for occupational exposure risks to novel anticancer agents - A focus on monoclonal antibodies.

    Science.gov (United States)

    King, Julie; Alexander, Marliese; Byrne, Jenny; MacMillan, Kent; Mollo, Adele; Kirsa, Sue; Green, Michael

    2016-02-01

    Evidence of occupational exposure risks to novel anticancer agents is limited and yet to be formally evaluated from the Australian healthcare perspective. From March to September 2013 medical databases, organizational policies, drug monographs, and the World Wide Web were searched for evidence relating to occupational exposure to monoclonal antibodies, fusion proteins, gene therapies, and other unclassified novel anticancer agents. Australian legislation, national and international guidelines, and drug company information excluded novel agents or provided inconsistent risk assessments and safe handling recommendations. Monoclonal antibody guidelines reported conflicting information and were often divergent with available evidence and pharmacologic rationale demonstrating minimal internalisation ability and occupational exposure risk. Despite similar physiochemical, pharmacologic, and internalisation properties to monoclonal antibodies, fusion proteins were included in only a minority of guidelines. Clinical directives for the safe handling of gene therapies and live vaccines were limited, where available focusing on prevention against exposure and cross-contamination. Although mechanistically different, novel small molecule agents (proteasome inhibitors), possess similar physiochemical and internalisation properties to traditional cytotoxic agents warranting cytotoxic classification and handling. Novel agents are rapidly emerging into clinical practice, and healthcare personnel have few resources to evaluate risk and provide safety recommendations. Novel agents possess differing physical, molecular and pharmacological profiles compared to traditional cytotoxic anticancer agents. Evaluation of occupational exposure risk should consider both toxicity and internalisation. Evidence-based guidance able to direct safe handling practices for novel anticancer agents across a variety of clinical settings is urgently required. © The Author(s) 2014.

  16. Magnetism in intercalated compounds of layered manganese ...

    Indian Academy of Sciences (India)

    Administrator

    Magnetism in intercalated compounds of layered manganese thiophosphate. N V VENKATRAMAN and S VASUDEVAN. Department of Inorganic and Physical Chemistry, Indian Institute of Science,. Bangalore 560 012, India. Layered manganese thiophosphate MnPS3 undergoes an unusual ion-exchange intercalation ...

  17. Intercalation chemistry of zirconium 4-sulfophenylphosphonate

    International Nuclear Information System (INIS)

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

    2013-01-01

    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

  18. Cranberry as promising natural source of potential anticancer agents: current evidence and future perspectives.

    Science.gov (United States)

    Katsargyris, Athanasios; Tampaki, Ekaterini-Christina; Giaginis, Constantinos; Theocharis, Stamatios

    2012-07-01

    Accumulating evidence suggest that dietary modification can lower the risk for several cancer types' development. Cranberry in particular, has been shown to have anti-oxidative, -inflammatory and -proliferative properties in vitro. To present the latest knowledge regarding the role of cranberry extracts against human cancer several types. A review of the literature documenting both in vitro and in vivo anti-cancer effects of whole cranberry and/or its extracts is conducted. Current data provide evidence for several anti-cancer properties of either whole cranberry and/or its extracts. The discovery of the specific cranberry components and the appropriate concentrations that exert such beneficial effects along with verification of the preliminary in vitro results in in vivo settings could potentially lead to the invention of novel safer and efficient anti-cancer therapeutic agents.

  19. Regulators as agents: Modelling personality and power as evidence is brokered to support decisions on environmental risk

    Energy Technology Data Exchange (ETDEWEB)

    Davies, G.J. [Cranfield University, Centre for Environmental Risks and Futures, School of Applied Sciences, Cranfield MK43 0AL (United Kingdom); Kendall, G. [University of Nottingham, School of Computer Science, Nottingham NG8 1BB (United Kingdom); University of Nottingham Malaysia Campus, Jalan Broga, 43500 Semenyih, Selangor Darul Ehsan (Malaysia); Soane, E. [London School of Economics and Political Science, Department of Management, London WC2A 2AE (United Kingdom); Li, J. [University of Nottingham, School of Computer Science, Nottingham NG8 1BB (United Kingdom); Rocks, S.A.; Jude, S.R. [Cranfield University, Centre for Environmental Risks and Futures, School of Applied Sciences, Cranfield MK43 0AL (United Kingdom); Pollard, S.J.T., E-mail: s.pollard@cranfield.ac.uk [Cranfield University, Centre for Environmental Risks and Futures, School of Applied Sciences, Cranfield MK43 0AL (United Kingdom)

    2014-01-01

    Complex regulatory decisions about risk rely on the brokering of evidence between providers and recipients, and involve personality and power relationships that influence the confidence that recipients may place in the sufficiency of evidence and, therefore, the decision outcome. We explore these relationships in an agent-based model; drawing on concepts from environmental risk science, decision psychology and computer simulation. A two-agent model that accounts for the sufficiency of evidence is applied to decisions about salt intake, animal carcass disposal and radioactive waste. A dynamic version of the model assigned personality traits to agents, to explore their receptivity to evidence. Agents with ‘aggressor’ personality sets were most able to imbue fellow agents with enhanced receptivity (with ‘avoider’ personality sets less so) and clear confidence in the sufficiency of evidence. In a dynamic version of the model, when both recipient and provider were assigned the ‘aggressor’ personality set, this resulted in 10 successful evidence submissions in 71 days, compared with 96 days when both agents were assigned the ‘avoider’ personality set. These insights suggest implications for improving the efficiency and quality of regulatory decision making by understanding the role of personality and power. - Highlights: •The role of personality and power in regulatory decision-making is poorly represented. •We built a rudimentary two-agent model to explore environmental risk decisions. •Our two agent model accounted for decisions about the sufficiency of evidence. •We examined the influence personality and power has on confidence gained. •By giving agents personality we might predict the time taken to reach consensus.

  20. Glutathione as a skin whitening agent: Facts, myths, evidence and controversies

    Directory of Open Access Journals (Sweden)

    Sidharth Sonthalia

    2016-01-01

    Full Text Available Glutathione is a low molecular weight thiol-tripeptide that plays a prominent role in maintaining intracellular redox balance. In addition to its remarkable antioxidant properties, the discovery of its antimelanogenic properties has led to its promotion as a skin-lightening agent. It is widely used for this indication in some ethnic populations. However, there is a dichotomy between evidence to support its efficacy and safety. The hype around its depigmentary properties may be a marketing gimmick of pharma-cosmeceutical companies. This review focuses on the various aspects of glutathione: its metabolism, mechanism of action and the scientific evidence to evaluate its efficacy as a systemic skin-lightening agent. Glutathione is present intracellularly in its reduced form and plays an important role in various physiological functions. Its skin-lightening effects result from direct as well as indirect inhibition of the tyrosinase enzyme and switching from eumelanin to phaeomelanin production. It is available in oral, parenteral and topical forms. Although the use of intravenous glutathione injections is popular, there is no evidence to prove its efficacy. In fact, the adverse effects caused by intravenous glutathione have led the Food and Drug Administration of Philippines to issue a public warning condemning its use for off-label indications such as skin lightening. Currently, there are three randomized controlled trials that support the skin-lightening effect and good safety profile of topical and oral glutathione. However, key questions such as the duration of treatment, longevity of skin-lightening effect and maintenance protocols remain unanswered. More randomized, double-blind, placebo-controlled trials with larger sample size, long-term follow-up and well-defined efficacy outcomes are warranted to establish the relevance of this molecule in disorders of hyperpigmentation and skin lightening.

  1. ON ROLE OF CHONDROPROTECTIVE AGENTS IN OSTEOARTHRITIS: ON THE WAY TO THE EVIDENCE-BASED MEDICINE

    Directory of Open Access Journals (Sweden)

    S. V. Jargin

    2010-01-01

    Full Text Available Chondroitin sulfate, glucosamine and hyaluronic acid (HA applied for the treatment of arthrosis (osteoarthritis are designated as chondroprotective agents. There is evidence in favor of their effectiveness. However, some recent reviews questioned it, while it was noticed that later publications tended to be less positive than older industry-sponsored trials. For intraarticular injections predominantly HA is used. Clinical efficacy of intraarcticular injections and significance of the difference from placebo has been questioned as well. Moreover, no plausible explanation has been found for the discrepancy between the short intraarticular half-life of injected HA and reported long duaration of the positive effect (6-9 months after a course of intraarticular injections. Chondroprotective agents are administered to osteoarthritis patients, including pensioners and citizens with low incomes, who purchase them for a prolonged use. It must be largely equivalent to recommend them, instead of peroral drugs or dietary supplements, a diet modification with consumption of more food containing natural glycosaminoglycans. More comprehensive analysis of literature is required in the process of registration of drugs and dietary supplements.

  2. Serological evidence for a hepatitis e virus-related agent in goats in the United States.

    Science.gov (United States)

    Sanford, B J; Emerson, S U; Purcell, R H; Engle, R E; Dryman, B A; Cecere, T E; Buechner-Maxwell, V; Sponenberg, D P; Meng, X J

    2013-12-01

    Hepatitis E virus (HEV) causes an important public health disease in many developing countries and is also endemic in some industrialized countries. In addition to humans, strains of HEV have been genetically identified from pig, chicken, rat, mongoose, deer, rabbit and fish. While the genotypes 1 and 2 HEV are restricted to humans, the genotypes 3 and 4 HEV are zoonotic and infect humans and other animal species. As a part of our ongoing efforts to search for potential animal reservoirs for HEV, we tested goats from Virginia for evidence of HEV infection and showed that 16% (13/80) of goat sera from Virginia herds were positive for IgG anti-HEV. Importantly, we demonstrated that neutralizing antibodies to HEV were present in selected IgG anti-HEV positive goat sera. Subsequently, in an attempt to genetically identify the HEV-related agent from goats, we conducted a prospective study in a closed goat herd with known anti-HEV seropositivity and monitored a total of 11 kids from the time of birth until 14 weeks of age for evidence of HEV infection. Seroconversion to IgG anti-HEV was detected in seven of the 11 kids, although repeated attempts to detect HEV RNA by a broad-spectrum nested RT-PCR from the faecal and serum samples of the goats that had seroconverted were unsuccessful. In addition, we also attempted to experimentally infect laboratory goats with three well-characterized mammalian strains of HEV but with no success. The results indicate that a HEV-related agent is circulating and maintained in the goat population in Virginia and that the goat HEV is likely genetically very divergent from the known HEV strains. © 2012 Blackwell Verlag GmbH.

  3. Smectites intercalated with azobenzene and aminoazobenzene: Structure changes at nanoscale induced by UV light

    Science.gov (United States)

    Koteja, Anna; Szczerba, Marek; Matusik, Jakub

    2017-12-01

    The photoactive azobenzenes were intercalated into montmorillonite and beidellite in order to obtain a functional material responsive to UV radiation. The smectite modification involved two steps: (1) intercalation with alkylammonium salts, differing in alkyl chain length, and (2) co-intercalation with azobenzene or aminoazobenzene. The structure and chemistry of the obtained materials were thoroughly characterize with the means of XRD, FTIR, DTA/TG, UV-Vis methods and CHN elemental analysis. The mechanisms interpretation was supported with the molecular dynamics simulations. Photoresponse of the obtained materials was monitored through the observation of the basal spacing shifts upon UV radiation. The results proved that both the type of alkylammonium salt and the host mineral influenced heavily the efficiency of subsequent azobenzene intercalation as well as its photoactive behaviour. The evident and regular photoinduced basal spacing shifts were visible when the density of intercalated salts was low. This was achieved in the BId derivatives due to the low layer charge of the mineral. Also the shorter alkyl chain of the co-intercalated salt promoted larger photoresponses.

  4. Critical role of DNA intercalation in enzyme-catalyzed nucleotide flipping

    Science.gov (United States)

    Hendershot, Jenna M.; O'Brien, Patrick J.

    2014-01-01

    Nucleotide flipping is a common feature of DNA-modifying enzymes that allows access to target sites within duplex DNA. Structural studies have identified many intercalating amino acid side chains in a wide variety of enzymes, but the functional contribution of these intercalating residues is poorly understood. We used site-directed mutagenesis and transient kinetic approaches to dissect the energetic contribution of intercalation for human alkyladenine DNA glycosylase, an enzyme that initiates repair of alkylation damage. When AAG flips out a damaged nucleotide, the void in the duplex is filled by a conserved tyrosine (Y162). We find that tyrosine intercalation confers 140-fold stabilization of the extrahelical specific recognition complex, and that Y162 functions as a plug to slow the rate of unflipping by 6000-fold relative to the Y162A mutant. Surprisingly, mutation to the smaller alanine side chain increases the rate of nucleotide flipping by 50-fold relative to the wild-type enzyme. This provides evidence against the popular model that DNA intercalation accelerates nucleotide flipping. In the case of AAG, DNA intercalation contributes to the specific binding of a damaged nucleotide, but this enhanced specificity comes at the cost of reduced speed of nucleotide flipping. PMID:25324304

  5. Fabrication of Li-intercalated bilayer graphene

    Directory of Open Access Journals (Sweden)

    K. Sugawara

    2011-06-01

    Full Text Available We have succeeded in fabricating Li-intercalated bilayer graphene on silicon carbide. The low-energy electron diffraction from Li-deposited bilayer graphene shows a sharp 3×3R30° pattern in contrast to Li-deposited monolayer graphene. This indicates that Li atoms are intercalated between two adjacent graphene layers and take the same well-ordered superstructure as in bulk C6Li. The angle-resolved photoemission spectroscopy has revealed that Li atoms are fully ionized and the π bands of graphene are systematically folded by the superstructure of intercalated Li atoms, producing a snowflake-like Fermi surface centered at the Γ point. The present result suggests a high potential of Li-intercalated bilayer graphene for application to a nano-scale Li-ion battery.

  6. Evaluating resveratrol as a therapeutic bone agent: preclinical evidence from rat models of osteoporosis.

    Science.gov (United States)

    Tou, Janet C

    2015-08-01

    Resveratrol (RSV) is a naturally occurring plant polyphenol that has potential to attenuate osteoporosis with distinct pathologies. This review evaluates preclinical evidence regarding the efficacy and safety of RSV as a therapeutic bone agent using different rat models. Limitations of these animal models are discussed, and suggestions for strengthening the experimental design of future studies are provided. The ovariectomized rat model of postmenopausal osteoporosis reported that RSV supplementation attenuated estrogen deficiency-induced bone loss and trabecular structural deterioration. RSV safety was indicated by the absence of stimulation of estrogen-sensitive tissue. Providing RSV to rats aged >6 months attenuated age-related bone mass loss and structural deterioration but produced inconsistent effects on bones in rats aged osteoporosis reported that RSV attenuated bone loss in old rats, but higher doses and longer duration supplementation before mechanical loading were required for younger rats. Limitations common to studies using rat models of osteoporosis include requirements to include animals that are skeletally mature, longer study durations, and to adjust for potential confounding effects due to altered body weight and endocrine function. Strengthening experimental design can contribute to translation of animal results to clinically relevant recommendations for humans. Published 2015. This article is U.S. Government work and is in the public domain in the USA.

  7. Learning to Teach About Ideas and Evidence in Science: The Student Teacher as Change Agent

    Science.gov (United States)

    Braund, Martin; Campbell, Bob

    2010-03-01

    A collaborative curriculum development project was set up to address the lack of good examples of teaching about ideas and evidence and the nature of science encountered by student teachers training to teach in the age range 11-16 in schools in England. Student and teacher-mentor pairs devised, taught and evaluated novel lessons and approaches. The project design required increasing levels of critique through cycles of teaching, evaluation and revision of lessons. Data were gathered from interviews and students’ reports to assess the impact of the project on student teachers and to what extent any influences survived when they gained their first teaching posts. A significant outcome was the perception of teaching shifting from the delivery of standard lessons in prescribed ways to endeavours demanding creativity and decision-making. Although school-based factors limited newly qualified teachers’ chances to use new lessons and approaches and therefore act as change-agents in schools, the ability to critique curriculum materials and the recognition of the need to create space for professional dialogue were durable gains.

  8. A new approach for preparation of magnetite-graphite composite: Intercalation of polyhydroxy iron cation into graphite oxide in L-arginine medium

    Science.gov (United States)

    Li, Shuqiong; Chen, Zhen; Jin, Yongdong; Chen, Shuihua; Wang, Hang; Geng, Junxia; Song, Qiang; Yang, Xiaodan; Ma, Lijian; Li, Shoujian; Qin, Zhi; Zheng, Chong

    2011-05-01

    A new approach to prepare magnetite nanoparticle pillared graphite has been put forward. The magnetic composite was normally obtained by calcining iron-intercalated graphite oxide, but the latter was prepared via intercalation reaction using polyhydroxy iron cation as iron precursor and pillaring agent, and a strong organic guanidine base, L-arginine, as alkaline agent and also intercalating agent. L-arginine, used herein instead of inorganic alkali, which would lead to the deoxygenation and reduction of graphite oxide into graphite, not only provided the alkaline condition for the formation of polyhydroxy iron cations, but also increased the interlayer spacing of graphite oxide to facilitate the intercalation of polyhydroxy iron cations into graphite oxide. The characterization by powder X-ray diffraction, transmission electron microscopy, vibrating sample magnetometer and nitrogen absorption indicated that the composite was nanoscale Fe 3O 4 pillared graphite with superparamagnetic property.

  9. Measurements of quadrupolar interaction by perturbed angular correltion method on intercalated 2H-TaS sub(2)

    International Nuclear Information System (INIS)

    Saitovitch, H.

    1979-01-01

    This work is based on our quadrupolar interaction (QI) measurements on intercalated 2H-TaS sub(2) coumponds. As intercalating elements we used the alcalines - Li, Na, K, Cs -as well as the NH sub(3) (ammonia) and C sub(6) H sub(5) N (pyridine) molecules. The (QI) measurements were performed via the differential perturbed angular correlation (DPAC) technique, using Ta sup(181) as the probe isotope, on the hydrated and anhidrous phases of the intercalated systems. Our results happened to be in better agreement with the ionic model, one of the accepted models used to describe the intercalation process, as well as the transfered charges quantities and its distribution in the intercalated systems. And by its side the measured quantities, quadrupole interaction frequencies (QIF) and their distributions δ, contributed to support and to improve the ionic model. A strong charge dynamics between the 2H-TaS sub(2) sandwiches was observed and a relation between the (QIF) changes and amount of transfered charge (e sup(-)/Ta) was established. The attempt to specify the numerical contributions to the (QI) changes arriving from the different components of the 2H-TaS sub(2) intercalated systems put in evidence the probable orbitals involved in the systems bonds. Finally the kinetics of the intercalation process to form the 2H-TaS sub(2) (Li) sub(x) system was followed continuously by the (DPAC) measurements. (author)

  10. Synthesis and X-ray Powder Structure of a New Pillared Layered Cadmium Phosphonate, Giving Evidence that the Intercalation of Alkylamines into Cd(O(3)PR).H(2)O Is Topotactic.

    Science.gov (United States)

    Fredoueil, Florence; Massiot, Dominique; Janvier, Pascal; Gingl, Franz; Bujoli-Doeuff, Martine; Evain, Michel; Clearfield, Abraham; Bujoli, Bruno

    1999-04-19

    A new pillared layered phosphonate, cadmium 2-aminoethylphosphonate, Cd(O(3)PC(2)H(4)NH(2)) (1), has been synthesized, and its structure was solved ab initio from X-ray powder diffraction data and refined by Rietveld methods. Compound 1 is orthorhombic: space group Pna2(1), a = 15.4643(2) Å, b = 5.16512(7) Å, c = 6.27650(8) Å, and Z = 4. Its layer arrangement is similar to that in Cd(O(3)PR).H(2)O, except that the water molecule coordinated to cadmium in Cd(O(3)PR).H(2)O is replaced by the nitrogen atom from the amino ends of the ethyl chains borne by phosphorus of the upper and lower layers. The strong similarity of the IR, (31)P, and (113)Cd NMR data for Cd(O(3)PC(2)H(4)NH(2)) and Cd(O(3)PCH(3)).n-NH(2)C(4)H(9) clearly shows the topotactic character of the intercalation of n-alkylamines in the dehydrated form of Cd(O(3)PR).H(2)O to yield Cd(O(3)PR).n-NH(2)R'.

  11. PRESCRIBING OF ANTIHYPERTENSIVE AGENTS IN PUBLIC PRIMARY CARE CLINICS – IS IT IN ACCORDANCE WITH CURRENT EVIDENCE?

    Directory of Open Access Journals (Sweden)

    SAJARI J

    2010-01-01

    Full Text Available Background: Large population surveys in Malaysia have consistently shown minimal improvement of blood pressure control rates over the last 10 years. Poor adherence to antihypertensive medication has been recognized as a major reason for poor control of hypertension. This study aimed to describe the prescribing pattern of antihypertensive agents in 2 public primary care clinics and assess its appropriateness in relation to current evidence and guidelines. Methods: A cross-sectional survey to describe the prescribing pattern of antihypertensive agents was carried out in 2 publicprimary care clinics in Selangor from May to June 2009. Hypertensive patients on pharmacological treatment for ≥1 year who attended the clinics within the study period of 7 weeks were selected. Appropriate use of antihypertensive agents was defined based on current evidence and the recommendations by the Malaysian Clinical Practice Guidelines (CPG on the Management of Hypertension, 2008. Data were obtained from patients’ medical records and were analysed using the SPSS software version 16.0. Results: A total of 400 hypertensive patients on treatment were included. Mean age was 59.5 years (SD ±10.9, range 28 to91 years, of which 52.8% were females and 47.2% were males. With regards to pharmacotherapy, 45.7% were on monotherapy,43.3% were on 2 agents and 11.0% were on ≥3 agents. Target blood pressure of <140/90mmHg was achieved in 51.4% of patients on monotherapy, and 33.2% of patients on combination of ≥2 agents. The commonest monotherapy agents being prescribed were β-blockers (atenolol or propranolol, followed by the short-acting calcium channel blocker (nifedipine. The commonest combination of 2-drug therapy prescribed was β-blockers and short-acting calcium channel blocker. Conclusion: This study shows that the prescribing pattern of antihypertensive agents in the 2 primary care clinics was not in accordance with current evidence and guidelines.

  12. Ion transport and phase transformation in thin film intercalation electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Wunde, Fabian; Nowak, Susann; Muerter, Juliane; Hadjixenophontos, Efi; Berkemeier, Frank; Schmitz, Guido [Stuttgart Univ. (Germany). Inst. fuer Materialwissenschaft

    2017-11-15

    Thin film battery electrodes of the olivine structure LiFePO{sub 4} and the spinel phase LiMn{sub 2}O{sub 4} are deposited through ion-beam sputtering. The intercalation kinetics is studied by cyclo-voltammetry using variation of the cycling rate over 4 to 5 orders of magnitude. The well-defined layer geometry allows a detailed quantitative analysis. It is shown that LiFePO{sub 4} clearly undergoes phase separation during intercalation, although the material is nano-confined and very high charging rates are applied. We present a modified Randles-Sevcik evaluation adapted to phase-separating systems. Both the charging current and the overpotential depend on the film thickness in a systematic way. The analysis yields evidence that the grain boundaries are important short circuit paths for fast transport. They increase the electrochemical active area with increasing layer thickness. Evidence is obtained that the grain boundaries in LiFePO{sub 4} have the character of an ion-conductor of vanishing electronic conductivity.

  13. Synthesis of Various Polyaniline / Clay Nanocomposites Derived from Aniline and Substituted Aniline Derivatives by Mechanochemical Intercalation Method

    Directory of Open Access Journals (Sweden)

    N. Kalaivasan

    2010-01-01

    Full Text Available Polyaniline clay nanocomposite can be prepared by mechano-chemical method in which intercalation of anilinium ion into the clay lattices accomplished by mechanical grinding of sodium montmorillonite (Na+MMT in presence of anilinium hydrochloride at room temperature using mortar & pestle for about 30 min and subsequent grinding with oxidizing agent, ammonium peroxysulfate. The appearance of green colour indicates the formation of polyaniline/clay nanocomposite (PANI/Clay. Similarly aniline derivatives like o-toludine and o-anisidine in the form of HCl salt can form intercalation into the clay lattices. The intercalated aniline derivatives were ground mechanically in presence of oxidizing agent ammonium peroxysulfate lead to formation of substituted polyaniline/ clay nanocomposites. The characteristics of various polyaniline-clay nanocomposites were investigated using UV-Visible, FT-IR, cyclic voltammetry studies.

  14. clay nanocomposite by solution intercalation technique

    Indian Academy of Sciences (India)

    Polymer–clay nanocomposites of commercial polystyrene (PS) and clay laponite were prepared via solution intercalation technique. Laponite was modified suitably with the well known cationic surfactant cetyltrimethyl ammonium bromide by ion-exchange reaction to render laponite miscible with hydrophobic PS.

  15. Bromine intercalated graphite for lightweight composite conductors

    KAUST Repository

    Amassian, Aram

    2017-07-20

    A method of fabricating a bromine-graphite/metal composite includes intercalating bromine within layers of graphite via liquid-phase bromination to create brominated-graphite and consolidating the brominated-graphite with a metal nanopowder via a mechanical pressing operation to generate a bromine-graphite/metal composite material.

  16. Synthesis of Acridine-based DNA Bis-intercalating Agents

    Directory of Open Access Journals (Sweden)

    P. Mack

    2001-02-01

    Full Text Available Methods for the synthesis of N1, N8-bis(9-acridinyl-N4-(4-hydroxybenzyl-spermidine and N1, N7-(hydroxybenzyl-bis-(3-aminopropylamine were investigated. Thus monocyanoethylation of 4-methoxybenzylamine followed by treatment with 4-chlorobutyronitrile gave the dinitrile N-(2-cyanoethyl-N-(3-cyanopropyl-4-methoxybenzylamine. Subsequent in situ reduction with lithium aluminium hydride gave the corresponding diamine. Biscyanoethylation of 4-methoxybenzylamine with 2 mole of acrylonitrile followed by reduction yielded the diamine N, N-bis-(3-aminopropyl-4-methoxybenzylamine. Both diamines reacted smoothly with 9-methoxyacridine to give the bis-(9-acridinyl compounds 11 and 15 but with 4,5-dimethyl-9-methoxyacridine, the bis compound 16 was produced in only low yields. Demethylation of the dinitriles by a variety of approaches all failed to give the corresponding hydroxybenzyl derivatives. These studies yielded useful methylated tyrosine derivatives which could also be iodinated. This study has been useful for elucidating chemical methods needed for the synthesis of the desired tyrosine-based bis acridine compound and for alerting us to the need to synthesise a more labile protected tyrosine intermediate which will be easily deprotected to afford the desired tyrosine-based bis acridine compound.

  17. Does It Matter Whom an Agent Serves? Evidence from Recent Changes in Real Estate Agency Law.

    OpenAIRE

    Curran, Christopher; Schrag, Joel

    2000-01-01

    Recent changes in real estate law hastened the shift from a seller's agency regime, in which real estate agents serve the interests of sellers, to a buyer's agency regime, in which agents serve the interests of buyers. Using data from the Atlanta real estate market, we show that the shift to buyer's agency led to a significant decline in real estate prices in the market for relatively expensive houses, while real estate prices did not significantly change in the market for relatively inexpens...

  18. Spin orbit coupling in graphene through gold intercalation

    Science.gov (United States)

    Mukherjee, Paromita; O'Farrell, Eoin; Tan, Jun You; Yeo, Yuting; Koon, G. K. W.; Özyilmaz, Barbaros; Watanabe, K.; Taniguchi, T.

    Graphene has a very low value of spin orbit coupling. There have been several efforts to enhance the spin orbit interaction in graphene. Our previous work has provided clear evidence that spin orbit coupling can be induced in graphene through Rashba interaction with intercalated gold. By applying an additional electric field, this splitting can be increased or decreased depending on its relative direction with the internal electric field induced by gold in graphene. A large negative magnetoresistance due to an in-plane magnetic field has been observed which can be attributed to the fact that a magnetic moment is induced in gold due to spin-orbit coupling. Anomalous Hall Effect which decreases with an in-plane magnetic field further suggests the formation of a collective magnetic phase. We would like to further elaborate on the spin-orbit coupling in graphene using non local measurements. Hence, by intercalating graphene with gold, we can have a direct electric manipulation of the spin degrees of freedom and lead to its much awaited applications in spintronics, quantum computing. National University of Singapore, Singapore.

  19. ROLE OF THE INTERCALATED DISC IN CARDIAC PROPAGATION AND ARRHYTHMOGENESIS

    Directory of Open Access Journals (Sweden)

    Andre Georges Kleber

    2014-10-01

    Full Text Available AbstractThis 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 adherers 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.

  20. In vitro evidence for sexual reproduction in Venturia effusa, causal agent of pecan scab

    Science.gov (United States)

    Venturia effusa is the causal agent of pecan scab, the most prevalent disease of pecan in the southeastern US. Venturia effusa is currently only known to reproduce asexually, yet the genetic diversity among populations of pecan scab suggest it is a sexually reproducing pathogen. Analysis of the mati...

  1. Phosphate-stabilized Lithium intercalation compounds

    Energy Technology Data Exchange (ETDEWEB)

    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.

  2. Direct intercalation of cisplatin into zirconium phosphate nanoplatelets for potential cancer nanotherapy

    Science.gov (United States)

    Díaz, Agustín; González, Millie L.; Pérez, Riviam J.; David, Amanda; Mukherjee, Atashi; Báez, Adriana; Clearfield, Abraham; Colón, Jorge L.

    2013-11-01

    We report the use of zirconium phosphate (ZrP) nanoplatelets for the encapsulation of the anticancer drug cisplatin and its delivery to tumor cells. Cisplatin was intercalated into ZrP by direct ion exchange and was tested in vitro for cytotoxicity in the human breast cancer (MCF-7) cell line. The structural characterization of the intercalated cisplatin in ZrP suggests that during the intercalation process, the chloride ligands of the cisplatin complex were substituted by phosphate groups within the layers. Consequently, a new phosphate phase with the platinum complex directly bound to ZrP (cisPt@ZrP) is produced with an interlayer distance of 9.3 Å. The in vitro release profile of the intercalated drug upon a pH stimulus shows that at low pH under lysosomal conditions the platinum complex is released with simultaneous hydrolysis of the zirconium phosphate material, while at higher pH the complex is not released. Experiments with the MCF-7 cell line show that cisPt@ZrP reduced the cell viability up to 40%. The cisPt@ZrP intercalation product is envisioned as a future nanotherapy agent against cancer. Taking advantage of the shape and sizes of the ZrP particles and controlled release of the drug at low pH, it is intended to exploit the enhanced permeability and retention effect of tumors, as well as their intrinsic acidity, for the destruction of malignant cells.We report the use of zirconium phosphate (ZrP) nanoplatelets for the encapsulation of the anticancer drug cisplatin and its delivery to tumor cells. Cisplatin was intercalated into ZrP by direct ion exchange and was tested in vitro for cytotoxicity in the human breast cancer (MCF-7) cell line. The structural characterization of the intercalated cisplatin in ZrP suggests that during the intercalation process, the chloride ligands of the cisplatin complex were substituted by phosphate groups within the layers. Consequently, a new phosphate phase with the platinum complex directly bound to ZrP (cisPt@ZrP) is

  3. Unusual extraction behaviour of crown ether when intercalated in bentonite

    International Nuclear Information System (INIS)

    Sivaiah, M.V.; Krishna, R.M.; Murthy, G.S.; Venkatesan, K.A.; Sasidhar, P.

    2005-01-01

    Di-cyclo-hexano-18-crown-6 (DCH18C6) has been intercalated in bentonite and the product, Ben-Crown, characterized by micro-elemental analysis, TG-DTA analysis, X-ray diffraction and IR spectroscopy. The permanent negative charge present in the bentonite layer has been exploited for more efficient extraction of cesium and strontium by Ben-Crown at nitric acid concentrations (≤ 1.0 M) that gave only a meagre extraction when either DCH18C6 or bentonite alone were employed. The extraction of cesium and strontium has been investigated as a function of time, temperature, and the concentrations of nitric acid, metal ion and sodium nitrate. An unusual extraction phenomenon was observed at low concentrations of nitric acid (≤ 1.0 M) in the absence of any organo-philic agents. Rapid extraction of the metal ion was followed by the establishment of an equilibrium, which occurred after 150 min. Distribution coefficients (K d ) of 599 and 1007 ml g -1 were obtained, respectively, for the extraction of cesium and strontium from 0.1 M nitric acid by Ben-Crown; K d decreased with an increase in the temperature or in the concentrations of nitric acid and sodium nitrate. The extraction data were fitted by the Langmuir adsorption model and the apparent experimental exchange capacity obtained by linear regression analysis was in good agreement with the amount of crown ether (0.22 mmol g -1 ) intercalated in bentonite. The enthalpy change (ΔH 0 ) for the extraction of cesium and strontium was found to be exothermic. (authors)

  4. Charge carrier density in Li-intercalated graphene

    KAUST Repository

    Kaloni, Thaneshwor P.

    2012-05-01

    The electronic structures of bulk C 6Li, Li-intercalated free-standing bilayer graphene, and Li-intercalated bilayer and trilayer graphene on SiC(0 0 0 1) are studied using density functional theory. Our estimate of Young\\'s modulus suggests that Li-intercalation increases the intrinsic stiffness. For decreasing Li-C interaction, the Dirac point shifts to the Fermi level and the associated band splitting vanishes. For Li-intercalated bilayer graphene on SiC(0 0 0 1) the splitting at the Dirac point is tiny. It is also very small at the two Dirac points of Li-intercalated trilayer graphene on SiC(0 0 0 1). For all the systems under study, a large enhancement of the charge carrier density is achieved by Li intercalation. © 2012 Elsevier B.V. All rights reserved.

  5. Synthesis and stability of Br2, ICl and IBr intercalated pitch-based graphite fibers

    Science.gov (United States)

    Wessbecher, Dorothy E.; Forsman, William C.; Gaier, James R.

    1988-01-01

    The intercalation of halogens in pitch-based fiber is studied as well as the stability of the resultant intercalation compounds. It is found that IBr intercalates P-100 to yield a high-sigma GIC with attractive stability properties. During ICl intercalation, the presence of O2 interferes with the reaction and necessitates a higher threshold pressure for intercalation.

  6. Evidence for sexual reproduction in Venturia effusa, causal agent of pecan scab

    Science.gov (United States)

    Pecan scab caused by Venturia effusa is widespread across southwest USA and epidemics can result in catastrophic yield loss. Venturia effusa reproduces asexually during the active phase of the disease cycle (spring through summer) with no evidence of a sexual cycle. Yet, genetic diversity among popu...

  7. Three-dimensional metal-intercalated covalent organic frameworks for near-ambient energy storage

    Science.gov (United States)

    Gao, Fei; Ding, Zijing; Meng, Sheng

    2013-01-01

    A new form of nanoporous material, metal intercalated covalent organic framework (MCOF) is proposed and its energy storage property revealed. Employing density functional and thermodynamical analysis, we find that stable, chemically active, porous materials could form by stacking covalent organic framework (COF) layers with metals as a gluing agent. Metal acts as active sites, while its aggregation is suppressed by a binding energy significantly larger than the corresponding cohesive energy of bulk metals. Two important parameters, metal binding and metal-metal separation, are tuned by selecting suitable building blocks and linkers when constructing COF layers. Systematic searches among a variety of elements and organic molecules identify Ca-intercalated COF with diphenylethyne units as optimal material for H2 storage, reaching a striking gravimetric density ~ 5 wt% at near-ambient conditions (300 K, 20 bar), in comparison to < 0.1 wt% for bare COF-1 under the same condition. PMID:23698018

  8. International Migration with Heterogeneous Agents: Theory and Evidence for Germany, 1967-2009

    DEFF Research Database (Denmark)

    Brücker, Herbert; Schröder, Philipp

    2012-01-01

    Temporary migration, though empirically relevant, is often ignored in formal models. This paper proposes a migration model with heterogeneous agents and persistent cross country income differentials that features temporary migration. In equilibrium there exists a positive relation between the stock...... of migrants and the income differential, while the net migration flow becomes zero. Consequently, existing empirical migration models, estimating net migration flows, instead of stocks, may be misspecified. This suspicion appears to be confirmed by our investigation of the cointegration relationships...... of German migration stocks and flows since 1967. We find that (i) panel-unit root tests reject the hypothesis that migration flows and the explanatory variables are integrated of the same order, while migration stocks and the explanatory variables are all I(1) variables, and (ii) the hypothesis...

  9. Antipsychotic agents in the treatment of anorexia nervosa: neuropsychopharmacologic rationale and evidence from controlled trials.

    Science.gov (United States)

    Brewerton, Timothy D

    2012-08-01

    The search for an effective psychopharmacologic strategy in the treatment of anorexia nervosa (AN) has been elusive for decades and has run the gamut from reserpine to typical antipsychotics, to lithium, to tetrahydrocannabinol, to growth hormone, to anticonvulsants, to antidepressants, to atypical antipsychotics. Only recently has there arisen a potential "diamond in the rough" in the form of the atypical antipsychotic agent, olanzapine, which, in four randomized clinical trials, has shown superiority to placebo (two studies), chlorpromazine (one study), and aripiprazole (one study) in terms of weight gain and/or reduction in obsessional symptoms. The pharmacologic profile of olanzapine and other antipsychotic medications is discussed in light of the known pathophysiology of AN involving serotonin and dopamine systems, as well as brain-derived neurotrophic factor.

  10. Voreloxin is an anticancer quinolone derivative that intercalates DNA and poisons topoisomerase II.

    Directory of Open Access Journals (Sweden)

    Rachael E Hawtin

    2010-04-01

    Full Text Available Topoisomerase II is critical for DNA replication, transcription and chromosome segregation and is a well validated target of anti-neoplastic drugs including the anthracyclines and epipodophyllotoxins. However, these drugs are limited by common tumor resistance mechanisms and side-effect profiles. Novel topoisomerase II-targeting agents may benefit patients who prove resistant to currently available topoisomerase II-targeting drugs or encounter unacceptable toxicities. Voreloxin is an anticancer quinolone derivative, a chemical scaffold not used previously for cancer treatment. Voreloxin is completing Phase 2 clinical trials in acute myeloid leukemia and platinum-resistant ovarian cancer. This study defined voreloxin's anticancer mechanism of action as a critical component of rational clinical development informed by translational research.Biochemical and cell-based studies established that voreloxin intercalates DNA and poisons topoisomerase II, causing DNA double-strand breaks, G2 arrest, and apoptosis. Voreloxin is differentiated both structurally and mechanistically from other topoisomerase II poisons currently in use as chemotherapeutics. In cell-based studies, voreloxin poisoned topoisomerase II and caused dose-dependent, site-selective DNA fragmentation analogous to that of quinolone antibacterials in prokaryotes; in contrast etoposide, the nonintercalating epipodophyllotoxin topoisomerase II poison, caused extensive DNA fragmentation. Etoposide's activity was highly dependent on topoisomerase II while voreloxin and the intercalating anthracycline topoisomerase II poison, doxorubicin, had comparable dependence on this enzyme for inducing G2 arrest. Mechanistic interrogation with voreloxin analogs revealed that intercalation is required for voreloxin's activity; a nonintercalating analog did not inhibit proliferation or induce G2 arrest, while an analog with enhanced intercalation was 9.5-fold more potent.As a first-in-class anticancer

  11. Evidence of Garcinia cambogia as a fat burning and appetite suppressing agents

    Directory of Open Access Journals (Sweden)

    Wan Nur Asyiken Wan Ab Rahman

    2016-01-01

    Results: Consumers in Malaysia most likely tend to have a fast method in losing the weight. When the product is advertised inappropriately without any strong evidence based, the Malaysian society is solely at risk in buying the product that does not have a confirmed effectiveness and efficacy. The doubts in using G. cambogia are because the marketed product is there is no single formulation that contains only G. Cambogia.

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

    International Nuclear Information System (INIS)

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

    2013-01-01

    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 CO 3 2− solutions imply that Mg 3 Al–VC LDH is a better controlled release system than Mg 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 3 2− solution. - Graphical abstract: Vitamin C anions have been intercalated in the interlayer space of layered double hydroxide and released in CO 3 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 3 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 3 2− solution

  13. [Antidepressants agents in breast cancer patients using tamoxifen: review of basic and clinical evidence].

    Science.gov (United States)

    Irarrázaval O, María Elisa; Gaete G, Leonardo

    2016-10-01

    Tamoxifen (Tmf), is a standard of care for women with estrogen receptor positive (ER+) breast cancer. Endoxifen is a Tmf metabolite generated by cytochrome P450 2D6 (CYP2D6). Antidepressive agents (AD) are often prescribed to women with breast cancer not only for depression, but also for anxiety and hot flashes. Some AD are substrates or inhibitors of the Tmf metabolic pathway. Therefore there may be interactions when Tmf and AD are prescribed simultaneously. Oncologic protection afforded by Tmf may become less effective or null when AD are indicated, especially in poor metabolizing patients. We performed an update of the literature about the criteria for choosing AD in women receiving Tmf. Tricyclic AD, paroxetine and fluoxetine should be avoided in patients receiving Tmf, because they are strong inhibitors of CYP2D6. Bupropion, duloxetine and sertraline are only moderate inhibitors of the cytochrome and are not contraindicated. Citalopram, desvenlafaxine, escitalopram, milnacipran and venlafaxine are recommended, because they do not influence the metabolism and clinical efficacy of Tmf and have fewer drug interactions. However, other additional pharmacological and clinical issues should be considered when choosing an antidepressant in women with breast cancer.

  14. Evidence for Systemic Infection by Puccinia horiana, Causal Agent of Chrysanthemum White Rust, in Chrysanthemum.

    Science.gov (United States)

    Bonde, M R; Murphy, C A; Bauchan, G R; Luster, D G; Palmer, C L; Nester, S E; Revell, J M; Berner, D K

    2015-01-01

    Puccinia horiana, causal agent of the disease commonly known as chrysanthemum white rust (CWR), is a quarantine-significant fungal pathogen of chrysanthemum in the United States and indigenous to Asia. The pathogen was believed to have been eradicated in the United States but recently reappeared on several occasions in northeastern United States. The objective of the study presented here was to determine whether P. horiana could systemically infect chrysanthemum plants, thus providing a means of survival through winters. Scanning and transmission electron microscopy revealed the development of P. horiana on the surface and within leaves, stems, or crowns of inoculated chrysanthemum plants artificially exposed to northeastern U.S. winter temperatures. P. horiana penetrated leaves directly through the cuticle and then colonized the mesophyll tissue both inter- and intracellularly. An electron-dense material formed at the interface between fungal and host mesophyll cells, suggesting that the pathogen adhered to the plant cells. P. horiana appeared to penetrate mesophyll cell walls by enzymatic digestion, as indicated by the absence of deformation lines in host cell walls at penetration sites. The fungus was common in vascular tissue within the infected crown, often nearly replacing the entire contents of tracheid cell walls. P. horiana frequently passed from one tracheid cell to an adjacent tracheid cell by penetration either through pit pairs or nonpitted areas of the cell walls. Individual, presumed, fungal cells in mature tracheid cells of the crown and stems arising from infected crowns suggested that the pathogen might have been moving at least partially by means of the transpiration stream. The demonstration that chrysanthemum plants can be systemically infected by P. horiana suggests that additional disease control measures are required to effectively control CWR.

  15. Evidence for abasic site sugar phosphate-mediated cytotoxicity in alkylating agent treated Saccharomyces cerevisiae.

    Directory of Open Access Journals (Sweden)

    Michelle Heacock

    Full Text Available To better understand alkylating agent-induced cytotoxicity and the base lesion DNA repair process in Saccharomyces cerevisiae, we replaced the RAD27(FEN1 open reading frame (ORF with the ORF of the bifunctional human repair enzyme DNA polymerase (Pol β. The aim was to probe the effect of removal of the incised abasic site 5'-sugar phosphate group (i.e., 5'-deoxyribose phosphate or 5'-dRP in protection against methyl methanesulfonate (MMS-induced cytotoxicity. In S. cerevisiae, Rad27(Fen1 was suggested to protect against MMS-induced cytotoxicity by excising multinucleotide flaps generated during repair. However, we proposed that the repair intermediate with a blocked 5'-end, i.e., 5'-dRP group, is the actual cytotoxic lesion. In providing a 5'-dRP group removal function mediated by dRP lyase activity of Pol β, the effects of the 5'-dRP group were separated from those of the multinucleotide flap itself. Human Pol β was expressed in S. cerevisiae, and this partially rescued the MMS hypersensitivity observed with rad27(fen1-null cells. To explore this rescue effect, altered forms of Pol β with site-directed eliminations of either the 5'-dRP lyase or polymerase activity were expressed in rad27(fen1-null cells. The 5'-dRP lyase, but not the polymerase activity, conferred the resistance to MMS. These results suggest that after MMS exposure, the 5'-dRP group in the repair intermediate is cytotoxic and that Rad27(Fen1 protection against MMS in wild-type cells is due to elimination of the 5'-dRP group.

  16. The dynamics of copper intercalated molybdenum ditelluride.

    Science.gov (United States)

    Onofrio, Nicolas; Guzman, David; Strachan, Alejandro

    2016-11-21

    Layered transition metal dichalcogenides are emerging as key materials in nanoelectronics and energy applications. Predictive models to understand their growth, thermomechanical properties, and interaction with metals are needed in order to accelerate their incorporation into commercial products. Interatomic potentials enable large-scale atomistic simulations connecting first principle methods and devices. We present a ReaxFF reactive force field to describe molybdenum ditelluride and its interactions with copper. We optimized the force field parameters to describe the energetics, atomic charges, and mechanical properties of (i) layered MoTe 2 , Mo, and Cu in various phases, (ii) the intercalation of Cu atoms and small clusters within the van der Waals gap of MoTe 2 , and (iii) bond dissociation curves. The training set consists of an extensive set of first principles calculations computed using density functional theory (DFT). We validate the force field via the prediction of the adhesion of a single layer MoTe 2 on a Cu(111) surface and find good agreement with DFT results not used in the training set. We characterized the mobility of the Cu ions intercalated into MoTe 2 under the presence of an external electric field via finite temperature molecular dynamics simulations. The results show a significant increase in drift velocity for electric fields of approximately 0.4 V/Å  and that mobility increases with Cu ion concentration.

  17. Comparison of lithium and sodium intercalation materials

    Directory of Open Access Journals (Sweden)

    Vujković Milica

    2015-01-01

    Full Text Available Low abundance of lithium in Earth’s crust and its high participation in overall cost of lithium-ion batteries incited intensive investigation of sodium-ion batteries, in hope that they may become similar in basic characteristics: specific energy and specific power. Furthermore, over the last years the research has been focused on the replacement of organic electrolytes of Li- and Na-ion batteries, by aqueous electrolytes, in order to simplify the production and improve safety of use. In this lecture, some recent results on the selected intercalation materials are presented: layered structure vanadium oxides, olivine and nasicon phosphates, potentially usable in both Li and Na aqueous rechargeable batteries. After their characterization by X-ray diffraction and electron microscopy, the electrochemical behavior was studied by both cyclic voltammetry and hronopotenciometry. By comparing intercalation kinetics and coulombic capacity of these materials in LiNO3 and NaNO3 solutions, it was shown that the following ones: Na1.2V3O8, Na2V6O16/C , NaFePO4/C and NaTi2(PO43/C may be used as electrode materials in aqueous alkali-ion batteries.

  18. Intercalation processes of copper complexes in DNA

    Science.gov (United States)

    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. Electronic spectra of anions intercalated in layered double hydroxides

    Indian Academy of Sciences (India)

    Transition metal complexes intercalated in layered double hydroxides have a different electronic structure as compared to their free state owing to their confinement within the interlayer gallery. UV–Vis absorptions of the intercalated complex anions show a significant shift as compared to their free state. The ligand to metal ...

  20. Structural, energetic and electronic properties of intercalated boron

    Indian Academy of Sciences (India)

    The effects of chirality and the intercalation of transitional metal atoms inside single walled BN nanotubes on structural, energetic and electronic properties have been considered in this paper. The thermodynamic stability of BN nanotubes can be improved by the intercalation of cobalt or nickel. BN nanotubes can behave ...

  1. Structural, energetic and electronic properties of intercalated boron ...

    Indian Academy of Sciences (India)

    The effects of chirality and the intercalation of transitional metal atoms inside single walled BN nanotubes on structural, energetic and electronic properties have been considered in this paper. The thermodynamic stability of BN nanotubes can be improved by the intercalation of cobalt or nickel. BN nanotubes can behave ...

  2. Hybrid n-Alkylamine Intercalated Layered Titanates for Solid Lubrication

    NARCIS (Netherlands)

    Gonzalez Rodriguez, P.; Yuan, H.; van den Nieuwenhuijzen, Karin Jacqueline Huberta; Lette, W.; Schipper, Dirk J.; ten Elshof, Johan E.

    2016-01-01

    The intercalation of different primary n-alkylamines in the structure of a layered titanate of the lepidocrocite type (H1.07Ti1.73O4) for application in high-temperature solid lubrication is reported. The intercalation process of the amines was explored by means of in situ small-angle X-ray

  3. Structural, energetic and electronic properties of intercalated boron ...

    Indian Academy of Sciences (India)

    Abstract. The effects of chirality and the intercalation of transitional metal atoms inside single walled BN nano- tubes on structural, energetic and electronic properties have been considered in this paper. The thermodynamic stability of BN nanotubes can be improved by the intercalation of cobalt or nickel. BN nanotubes can ...

  4. Syntheses, structure and intercalation properties of low-dimensional ...

    Indian Academy of Sciences (India)

    Unknown

    X-ray diffraction study of their intercalated products. These efforts have led to the successful synthesis ... phenylarsonates, 1–4 and the intercalation products were recorded on an XD-D1 X-ray diffractometer, ..... and π–π stacking, in slanted fashion to the chains and thus accounts for the lower d020 value (figure 1).

  5. K-intercalated carbon systems: Effects of dimensionality and substrate

    KAUST Repository

    Kaloni, Thaneshwor P.

    2012-06-01

    Density functional theory is employed to investigate the electronic properties of K-intercalated carbon systems. Young\\'s modulus indicates that the intercalation increases the intrinsic stiffness. For K-intercalated bilayer graphene on SiC(0001) the Dirac cone is maintained, whereas a trilayer configuration exhibits a small splitting at the Dirac point. Interestingly, in contrast to many other intercalated carbon systems, the presence of the SiC(0001) substrate does not suppress but rather enhances the charge carrier density. Reasonably high values are found for all systems, the highest carrier density for the bilayer. The band structure and electron-phonon coupling of free-standing K-intercalated bilayer graphene points to a high probability for superconductivity in this system. © 2012 Europhysics Letters Association.

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

    KAUST Repository

    Alattas, Maha Hassan Mohssen

    2017-01-08

    It is of technological interest to achieve quasi-freestanding graphene on a substrate. A possible approach is the intercalation of alkali metal atoms. Cs intercalation between graphene and Ni(111) 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. Cs intercalation restores the linear dispersion characteristic of Dirac fermions, which is in agreement with experiments1, but the Dirac cone is shifted to lower energy, i.e., the graphene sheet is n-doped. Cs intercalation therefore effectively 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. Quasi-freestanding graphene on Ni(111) by Cs intercalation

    KAUST Repository

    Alattas, Maha Hassan Mohssen

    2016-05-26

    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.

  8. Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.

    Science.gov (United States)

    Johnson, Charles A; Hudson, Graham A; Hardebeck, Laura K E; Jolley, Elizabeth A; Ren, Yi; Lewis, Michael; Znosko, Brent M

    2015-07-01

    DNA intercalators are commonly used as anti-cancer and anti-tumor agents. As a result, it is imperative to understand how changes in intercalator structure affect binding affinity to DNA. Amonafide and mitonafide, two naphthalimide derivatives that are active against HeLa and KB cells in vitro, were previously shown to intercalate into DNA. Here, a systematic study was undertaken to change the 3-substituent on the aromatic intercalator 1,8-naphthalimide to determine how 11 different functional groups with a variety of physical and electronic properties affect binding of the naphthalimide to DNA and RNA duplexes of different sequence compositions and lengths. Wavelength scans, NMR titrations, and circular dichroism were used to investigate the binding mode of 1,8-naphthalimide derivatives to short synthetic DNA. Optical melting experiments were used to measure the change in melting temperature of the DNA and RNA duplexes due to intercalation, which ranged from 0 to 19.4°C. Thermal stabilities were affected by changing the substituent, and several patterns and idiosyncrasies were identified. By systematically varying the 3-substituent, the binding strength of the same derivative to various DNA and RNA duplexes was compared. The binding strength of different derivatives to the same DNA and RNA sequences was also compared. The results of these comparisons shed light on the complexities of site specificity and binding strength in DNA-intercalator complexes. For example, the consequences of adding a 5'-TpG-3' or 5'-GpT-3' step to a duplex is dependent on the sequence composition of the duplex. When added to a poly-AT duplex, naphthalimide binding was enhanced by 5.6-11.5°C, but when added to a poly-GC duplex, naphthalimide binding was diminished by 3.2-6.9°C. Copyright © 2015 Elsevier Ltd. All rights reserved.

  9. High pressure measurement of the uniaxial stress of host layers on intercalants and staging transformation of intercalation compounds

    CERN Document Server

    Park, T R; Kim, H; Min, P

    2002-01-01

    A layered double-hydroxide intercalation compound was synthesized to measure the uniaxial stress the host layers exert on the intercalants. To measure the uniaxial stress, we employed the photoluminescence (PL) from the intercalated species, the Sm ion complex, as it is sensitive to the deformation of the intercalants. Of the many PL peaks the Sm ion complex produces, the one that is independent of the counter-cation environment was chosen for the measurement since the Sm ion complexes are placed under a different electrostatic environment after intercalation. The peak position of the PL was redshifted linearly with increasing hydrostatic pressure on the intercalated sample. Using this pressure-induced redshifting rate and the PL difference at ambient pressure between the pre-intercalation and the intercalated ions, we found that, in the absence of external pressure, the uniaxial stress exerted on the samarium ion complexes by the host layers was about 13.9 GPa at room temperature. Time-resolved PL data also ...

  10. Serological evidence for a hepatitis E virus (HEV)-related agent in goats in the United States

    Science.gov (United States)

    Sanford, B.J.; Emerson, S.U.; Purcell, R.H.; Engle, R.E.; Dryman, B.A.; Cecere, T.E.; Buechner-Maxwell, V.; Sponenberg, D.P.; Meng, X.J.

    2012-01-01

    Summary Hepatitis E virus (HEV) causes an important public health disease in many developing countries and is also endemic in some industrialized countries. In addition to humans, strains of HEV have been genetically identified from pig, chicken, rat, mongoose, deer, rabbit and fish. While the genotypes 1 and 2 HEV are restricted to humans, the genotypes 3 and 4 HEV are zoonotic and infect humans and other animal species. As a part of our ongoing efforts to search for potential animal reservoirs for HEV, we tested goats from Virginia for evidence of HEV infection and showed that 16% (13/80) of goat sera from Virginia herds were positive for IgG anti-HEV. Importantly, we demonstrated that neutralizing antibodies to HEV were present in selected IgG anti-HEV positive goat sera. Subsequently, in an attempt to genetically identify the HEV-related agent from goats, we conducted a prospective study in a closed goat herd with known anti-HEV seropositivity and monitored a total of 11 kids from the time of birth until 14 weeks of age for evidence of HEV infection. Seroconversion to IgG anti-HEV was detected in 7 of the 11 kids, although repeated attempts to detect HEV RNA by a broad-spectrum nested RT-PCR from the fecal and serum samples of the goats that had seroconverted were unsuccessful. In addition, we also attempted to experimentally infect laboratory goats with three well-characterized mammalian strains of HEV but with no success. The results indicate that a HEV-related agent is circulating and maintained in the goat population in Virginia and that the goat HEV is likely genetically very divergent from the known HEV strains. PMID:22909079

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

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Xiaorui, E-mail: gxr_1320@sina.com [College of Science, Hebei University of Engineering, Handan 056038 (China); School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189 (China); Chemistry Research Laboratory, University of Oxford, Mansfield Road, Oxford OX1 3TA (United Kingdom); Lei, Lixu [School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189 (China); O' Hare, Dermot [Chemistry Research Laboratory, University of Oxford, Mansfield Road, Oxford OX1 3TA (United Kingdom); Xie, Juan [College of Science, Hebei University of Engineering, Handan 056038 (China); Gao, Pengran [School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189 (China); Chang, Tao [College of Science, Hebei University of Engineering, Handan 056038 (China)

    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.

  12. Intercalation compounds involving inorganic layered structures

    Directory of Open Access Journals (Sweden)

    CONSTANTINO VERA R. L.

    2000-01-01

    Full Text Available Two-dimensional inorganic networks can shown intracrystalline reactivity, i.e., simple ions, large species as Keggin ions, organic species, coordination compounds or organometallics can be incorporated in the interlayer region. The host-guest interaction usually causes changes in their chemical, catalytic, electronic and optical properties. The isolation of materials with interesting properties and making use of soft chemistry routes have given rise the possibility of industrial and technological applications of these compounds. We have been using several synthetic approaches to intercalate porphyrins and phthalocyanines into inorganic materials: smectite clays, layered double hydroxides and layered niobates. The isolated materials have been characterized by elemental and thermal analysis, X-ray diffraction, surface area measurements, scanning electronic microscopy, electronic and resonance Raman spectroscopies and EPR. The degree of layer stacking and the charge density of the matrices as well their acid-base nature were considered in our studies on the interaction between the macrocycles and inorganic hosts.

  13. Renal intercalated cells and blood pressure regulation

    Directory of Open Access Journals (Sweden)

    Susan M. Wall

    2017-12-01

    Full Text Available Type B and non-A, non-B intercalated cells are found within the connecting tubule and the cortical collecting duct. Of these cell types, type B intercalated cells are known to mediate Cl⁻ absorption and HCO₃⁻ secretion largely through pendrin-dependent Cl⁻/HCO₃⁻ exchange. This exchange is stimulated by angiotensin II administration and is also stimulated in models of metabolic alkalosis, for instance after aldosterone or NaHCO₃ administration. In some rodent models, pendrin-mediated HCO₃⁻ secretion modulates acid-base balance. However, the role of pendrin in blood pressure regulation is likely of more physiological or clinical significance. Pendrin regulates blood pressure not only by mediating aldosterone-sensitive Cl⁻ absorption, but also by modulating the aldosterone response for epithelial Na⁺ channel (ENaC-mediated Na⁺ absorption. Pendrin regulates ENaC through changes in open channel of probability, channel surface density, and channels subunit total protein abundance. Thus, aldosterone stimulates ENaC activity through both direct and indirect effects, the latter occurring through its stimulation of pendrin expression and function. Therefore, pendrin contributes to the aldosterone pressor response. Pendrin may also modulate blood pressure in part through its action in the adrenal medulla, where it modulates the release of catecholamines, or through an indirect effect on vascular contractile force. This review describes how aldosterone and angiotensin II-induced signaling regulate pendrin and the contributory role of pendrin in distal nephron function and blood pressure.

  14. The effect of an intercalated BSc on subsequent academic performance.

    Science.gov (United States)

    Mahesan, Nishanthan; Crichton, Siobhan; Sewell, Hannah; Howell, Simon

    2011-10-03

    The choice of whether to undertake an intercalated Bachelor of Science (BSc) degree is one of the most important decisions that students must make during their time at medical school. An effect on exam performance would improve a student's academic ranking, giving them a competitive edge when applying for foundation posts. Retrospective data analysis of anonymised student records. The effects of intercalating on final year exam results, Foundation Programme score, application form score (from white-space questions), quartile rank score, and success with securing Foundation School of choice were assessed using linear and ordered logistic regression models, adjusted for course type, year of graduation, graduate status and baseline (Year 1) performance. The study included 1158 students, with 54% choosing to do an intercalated BSc, and 9.8% opting to do so at an external institution. Doing an intercalated BSc was significantly associated with improved outcome in Year 5 exams (P = 0.004). This was irrespective of the year students chose to intercalate, with no significant difference between those that intercalated after years 2, 3 and 4 (p = 0.3096). There were also higher foundation application scores (P BSc leads to an improvement in subsequent exam results and develops the skills necessary to produce a strong foundation programme application. It also leads to greater success with securing preferred Foundation School posts in students. Differences between internally- and externally-intercalating students may be due to varying course structures or greater challenge in adjusting to a new study environment.

  15. Prediction of superconductivity in Li-intercalated bilayer phosphorene

    Energy Technology Data Exchange (ETDEWEB)

    Huang, G. Q. [Department of Physics, Nanjing Normal University, Nanjing 210023 (China); National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Xing, Z. W., E-mail: zwxing@nju.edu.cn [National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Xing, D. Y. [National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Collaborative Innovation Center of Advanced Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China)

    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.

  16. Strain Lattice Imprinting in Graphene by C60 Intercalation at the Graphene/Cu Interface

    NARCIS (Netherlands)

    Monazami, Ehsan; Bignardi, Luca; Rudolf, Petra; Reinke, Petra

    2015-01-01

    Intercalation of C60 molecules at the graphene-substrate interface by annealing leads to amorphous and crystalline intercalated structures. A comparison of topography and electronic structure with wrinkles and moiré patterns confirms intercalation. The intercalated molecules imprint a local

  17. Effect of propylene-graft-maleic anhydride and the co-intercalant cis-13- docosenamide on the structure and mechanical properties of PP/organoclay clay systems; Efeito do polipropileno enxertado com anidrido maleico e do co-intercalante cis-13-docosenamida na estrutura e propriedades mecanicas de sistemas PP/argila organofilica

    Energy Technology Data Exchange (ETDEWEB)

    Silva Neto, J.E. da; Almeida, T.G.; Leite, R.C.N.; Carvalho, L.H., E-mail: joaoemidio2@gmail.com [Universidade Federal de Campina Grande (UFCG), PB (Brazil); Alves, T.S. [Universidade Federal do Piaui, PI (Brazil)

    2014-07-01

    In this work, PP/organoclay hybrids were prepared by melt intercalation and the effect of adding different amounts of a compatibilizer (PP-G-MA) and a co-intercalating agent (cis-13-docosenamide) to maximize the compatibility between filler and the polymeric matrix were investigated. The systems were processed under a single condition on a co-rotating twin screw extruder. The morphology and mechanical properties of the nanocomposites were investigated. The hybrids were characterized by x-ray diffraction, tensile (ASTM D638) and impact properties (ASTM D256). The results indicated an approximately 45% increase of the basal interplanar distance d{sub (001)} of the clay on hybrid systems, containing both compatibilizing and co-intercalating agents, forming intercalated structures. The tensile strength of the systems was not affected significantly by compatibilizer and/or co-intercalant addition, however, increases of up to 30% in elastic modulus and 48% in impact strength were obtained. (author)

  18. Removal of cesium ions from clays by cationic surfactant intercalation.

    Science.gov (United States)

    Park, Chan Woo; Kim, Bo Hyun; Yang, Hee-Man; Seo, Bum-Kyoung; Moon, Jei-Kwon; Lee, Kune-Woo

    2017-02-01

    We propose a new approach to remediate cesium-contaminated clays based on intercalation of the cationic surfactant dodecyltrimethylammonium bromide (DTAB) into clay interlayers. Intercalation of DTAB was found to occur very rapidly and involved exchanging interlayer cations. The reaction yielded efficient cesium desorption (∼97%), including of a large amount of otherwise non-desorbable cesium ions by cation exchange with ammonium ions. In addition, the intercalation of DTAB afforded an expansion of the interlayers, and an enhanced desorption of Cs by cation exchange with ammonium ions even at low concentrations of DTAB. Finally, the residual intercalated surfactants were easily removed by a decomposition reaction with hydrogen peroxide in the presence of Cu 2+ /Fe 2+ catalysts. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. Method for intercalating alkali metal ions into carbon electrodes

    Science.gov (United States)

    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.

  20. Intercalation of Carbon Nanotube Fibers to Improve their Conductivity

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose to increase the electrical conductivity of fibers made up of carbon nanotubes by intercalation with bromine. We further expect that the resulting fibers...

  1. Role of intercalation and redox potential in DNA photosensitization by ruthenium(II) polypyridyl complexes: assessment using DNA repair protein tests.

    Science.gov (United States)

    Gicquel, Etienne; Souchard, Jean-Pierre; Magnusson, Fay; Chemaly, Jad; Calsou, Patrick; Vicendo, Patricia

    2013-08-01

    Here we report that the photoreactivity of ruthenium(II) complexes with nucleobases may not only be modulated by their photoredox properties but also by their DNA binding mode. The damage resulting from photolysis of synthetic oligonucleotides and plasmid DNA by [Ru(bpz)3](2+), [Ru(bipy)3](2+) and the two DNA intercalating agents [Ru(bpz)2dppz](2+) and [Ru(bipy)2dppz](2+) has been monitored by polyacrylamide gel electrophoresis and by tests using proteins involved in DNA repair processes (DNA-PKCs, Ku80, Ku70, and PARP-1). The data show that intercalation controls the nature of the DNA damage photo-induced by ruthenium(II) complexes reacting with DNA via an electron transfer process. The intercalating agent [Ru(bpz)2dppz](2+) is a powerful DNA breaker inducing the formation of both single and double (DSBs) strand breaks which are recognized by the PARP-1 and DNA-PKCs proteins respectively. [Ru(bpz)2dppz](2+) is the first ruthenium(II) complex described in the literature that is able to induce DSBs by an electron transfer process. In contrast, its non-intercalating parent compound, [Ru(bpz)3](2+), is mostly an efficient DNA alkylating agent. Photoadducts are recognized by the proteins Ku70 and Ku80 as with cisplatin adducts. This result suggests that photoaddition of [Ru(bpz)2dppz](2+) is strongly affected by its DNA intercalation whereas its photonuclease activity is exalted. The data clearly show that DNA intercalation decreases drastically the photonuclease activity of ruthenium(II) complexes oxidizing guanine via the production of singlet oxygen. Interestingly, the DNA sequencing data revealed that the ligand dipyridophenazine exhibits on single-stranded oligonucleotides a preference for the 5'-TGCGT-3' sequence. Moreover the use of proteins involved in DNA repair processes to detect DNA damage was a powerful tool to examine the photoreactivity of ruthenium(II) complexes with nucleic acids.

  2. Mechanochemical synthesis of Cu-Al and methyl orange intercalated Cu-Al layered double hydroxides

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Jun, E-mail: forsjun@whut.edu.cn [School of Resources and Environmental Engineering, Wuhan University of Technology, Luoshi Road 122, Wuhan, Hubei 430070 (China); He, Xiaoman; Chen, Min; Hu, Huimin [School of Resources and Environmental Engineering, Wuhan University of Technology, Luoshi Road 122, Wuhan, Hubei 430070 (China); Zhang, Qiwu, E-mail: zhangqw@whut.edu.cn [School of Resources and Environmental Engineering, Wuhan University of Technology, Luoshi Road 122, Wuhan, Hubei 430070 (China); Liu, Xinzhong [College of Ecological Environment and Urban Construction, Fujian University of Technology, Fuzhou 350118 China (China)

    2017-04-15

    In this study, a mechanochemical route to synthesize a Cu-Al layered double hydroxide (LDH) and a methyl orange (MO) intercalated one (MO-LDH) was introduced, in which basic cupric carbonate (Cu{sub 2}(OH){sub 2}CO{sub 3}) and aluminum hydroxide (Al(OH){sub 3}) with Cu/Al molar ratio at 2/1 was first dry ground for 2 h and then agitated in water or methyl orange solution for another 4 h to obtain the LDH and MO-LDH products without any heating operation. The prepared samples were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), Thermogravimetry (TG), Differential scanning calorimetry (DSC) and Scanning electron microscopy (SEM). The products showed high crystallinity phase of Cu-Al and MO intercalated Cu-Al LDH with no evident impurities, proving that the craft introduced here was facile and effective. The new idea can be applied in other fields to produce organic-inorganic composites. - Highlights: • A facile mechanochemical route to synthesize Cu-Al and MO intercalated Cu-Al LDH. • The products possesses high crystalline of LDH phase with no impure phases. • The dry milling process induces the element substitution between the raw materials. • The agitation operation helps the grain growth of LDH.

  3. Na-Ion Intercalation and Charge Storage Mechanism in 2D Vanadium Carbide

    Energy Technology Data Exchange (ETDEWEB)

    Bak, Seong-Min [Chemistry Division, Brookhaven National Laboratory, Upton NY 11973 USA; Qiao, Ruimin [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Yang, Wanli [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Lee, Sungsik [X-Ray Science Division, Argonne National Laboratory, Argonne IL 60439 USA; Yu, Xiqian [Institute of Physics, Chinese Academy of Science, Beijing 100190 China; Anasori, Babak [Department of Material Science and Engineering, A.J. Drexel Nanomaterials Institute, Drexel University, Philadelphia PA 19104 USA; Lee, Hungsui [Chemistry Division, Brookhaven National Laboratory, Upton NY 11973 USA; Gogotsi, Yury [Department of Material Science and Engineering, A.J. Drexel Nanomaterials Institute, Drexel University, Philadelphia PA 19104 USA; Yang, Xiao-Qing [Chemistry Division, Brookhaven National Laboratory, Upton NY 11973 USA

    2017-07-14

    Two-dimensional vanadium carbide MXene containing surface functional groups (denoted as V2CTx, where Tx are surface functional groups) was synthesized and studied as anode material for Na-ion batteries. V2CTx anode exhibits reversible charge storage with good cycling stability and high rate capability through electrochemical test. The charge storage mechanism of V2CTx material during Na+ intercalation/deintercalation and the redox reaction of vanadium were studied using a combination of synchrotron based X-ray diffraction (XRD), hard X-ray absorption near edge spectroscopy (XANES) and soft X-ray absorption spectroscopy (sXAS). Experimental evidence of a major contribution of redox reaction of vanadium to the charge storage and the reversible capacity of V2CTx during sodiation/desodiation process have been provided through V K-edge XANES and V L2,3-edge sXAS results. A correlation between the CO32- content and Na+ intercalation/deintercalation states in the V2CTx electrode observed from C and O K-edge in sXAS results imply that some additional charge storage reactions may take place between the Na+-intercalated V2CTx and the carbonate based non-aqueous electrolyte. The results of this study will provide valuable information for the further studies on V2CTx as anode material for Na-ion batteries and capacitors.

  4. Synthesis of graphene nanoplatelets from peroxosulfate graphite intercalation compounds

    OpenAIRE

    MELEZHYK A.V.; TKACHEV A.G.

    2014-01-01

    Ultrasonic exfoliation of expanded graphite compound obtained by cold expansion of graphite intercalated with peroxodisulfuric acid was shown to allow the creation of graphene nanoplatelets with thickness of about 5-10 nm. The resulting graphene material contained surface oxide groups. The expanded graphite intercalation compound was exfoliated by ultrasound much easier than thermally expanded graphite. A mechanism for the cleavage of graphite to graphene nanoplatelets is proposed. It include...

  5. Obtaining graphene nanoplatelets from various graphite intercalation compounds

    Science.gov (United States)

    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.

  6. Neuromuscular blocking agents in patients with acute respiratory distress syndrome: a summary of the current evidence from three randomized controlled trials

    NARCIS (Netherlands)

    Serpa Neto, Ary; Pereira, Victor Galvão Moura; Espósito, Daniel Crepaldi; Damasceno, Maria Cecília Toledo; Schultz, Marcus J.

    2012-01-01

    Background: Acute respiratory distress syndrome (ARDS) is a potentially fatal disease with high mortality. Our aim was to summarize the current evidence for use of neuromuscular blocking agents (NMBA) in the early phase of ARDS. Methods: Systematic review and meta-analysis of publications between

  7. Studies of hexafluorophosphate, tetrafluoroborate, and perchlorate electro-intercalation into graphitic carbon

    Science.gov (United States)

    Seel, Jennifer Ann

    There has been some interest in using carbon materials as both working electrodes in electrochemical cells and rechargeable batteries [1--6]. This would result in the intercalation of not only of lithium ions into one carbon electrode but the anion component of the lithium salt, such as PF 6-, into the other carbon electrode. The intercalation of the anion component of the salt into carbon electrodes has not been studied extensively and it is not completely understood. The work presented here will expand on this rarely touched subject through electrochemical cycling as well as in-situ and ex-situ X-ray diffraction experiments. The anions that will be studied are: PF6- , BF4- and ClO4 -. It will be shown that anion intercalation occurs for various types of soft carbons and that the process can be greatly affected by the amount of turbostratic disorder present in the carbon material as well as by the specific anion used. It was discovered that using ethyl methyl sulfone, EMS, as the solvent component of the electrolyte resulted in more stable electrochemical cells than ethylene carbonate/diethyl carbonate, a more common solvent, at the high potentials required for anion intercalation. It was also discovered that PF 6 and BF4 formed staged phases during electrochemical cycling whereas ClO4 did not. The amount of disorder present in the carbon electrode did affect the intercalation of the anion. The samples with a greater amount of disorder present had a larger amount of capacity loss between charge and discharge capacities. It was also found that purer and more distinct staged phases occurred in the more ordered carbon samples. The turbostratically disordered carbon layers may rotate to accommodate PF6 and therefore become slightly more ordered. X-ray diffraction evidence suggests that intercalated PF6 molecules may be free-rotating between the carbon layers. However, the orientation of BF4 molecules between the carbon layers could not be determined. There may also be

  8. Metabolic Agents that Enhance ATP can Improve Cognitive Functioning: A Review of the Evidence for Glucose, Oxygen, Pyruvate, Creatine, and l-Carnitine

    Directory of Open Access Journals (Sweden)

    Lauren Owen

    2011-08-01

    Full Text Available Over the past four or five decades, there has been increasing interest in the neurochemical regulation of cognition. This field received considerable attention in the 1980s, with the identification of possible cognition enhancing agents or “smart drugs”. Even though many of the optimistic claims for some agents have proven premature, evidence suggests that several metabolic agents may prove to be effective in improving and preserving cognitive performance and may lead to better cognitive aging through the lifespan. Aging is characterized by a progressive deterioration in physiological functions and metabolic processes. There are a number of agents with the potential to improve metabolic activity. Research is now beginning to identify these various agents and delineate their potential usefulness for improving cognition in health and disease. This review provides a brief overview of the metabolic agents glucose, oxygen, pyruvate, creatine, and l-carnitine and their beneficial effects on cognitive function. These agents are directly responsible for generating ATP (adenosine triphosphate the main cellular currency of energy. The brain is the most metabolically active organ in the body and as such is particularly vulnerable to disruption of energy resources. Therefore interventions that sustain adenosine triphosphate (ATP levels may have importance for improving neuronal dysfunction and loss. Moreover, recently, it has been observed that environmental conditions and diet can affect transgenerational gene expression via epigenetic mechanisms. Metabolic agents might play a role in regulation of nutritional epigenetic effects. In summary, the reviewed metabolic agents represent a promising strategy for improving cognitive function and possibly slowing or preventing cognitive decline.

  9. Intercalation of metals and silicon at the interface of epitaxial graphene and its substrates

    International Nuclear Information System (INIS)

    Huang Li; Xu Wen-Yan; Que Yan-De; Mao Jin-Hai; Meng Lei; Pan Li-Da; Li Geng; Wang Ye-Liang; Du Shi-Xuan; Gao Hong-Jun; Liu Yun-Qi

    2013-01-01

    Intercalations of metals and silicon between epitaxial graphene and its substrates are reviewed. For metal intercalation, seven different metals have been successfully intercalated at the interface of graphene/Ru(0001) and form different intercalated structures. Meanwhile, graphene maintains its original high quality after the intercalation and shows features of weakened interaction with the substrate. For silicon intercalation, two systems, graphene on Ru(0001) and on Ir(111), have been investigated. In both cases, graphene preserves its high quality and regains its original superlative properties after the silicon intercalation. More importantly, we demonstrate that thicker silicon layers can be intercalated at the interface, which allows the atomic control of the distance between graphene and the metal substrates. These results show the great potential of the intercalation method as a non-damaging approach to decouple epitaxial graphene from its substrates and even form a dielectric layer for future electronic applications. (topical review - low-dimensional nanostructures and devices)

  10. Alkali metal and alkali metal hydroxide intercalates of the layered transition metal disulfides

    International Nuclear Information System (INIS)

    Kanzaki, Y.; Konuma, M.; Matsumoto, O.

    1981-01-01

    The intercalation reaction of some layered transition metal disulfides with alkali metals, alkali metal hydroxides, and tetraalkylammonium hydroxides were investigated. The alkali metal intercalates were prepared in the respective metal-hexamethylphosphoric triamide solutions in vaccuo, and the hydroxide intercalates in aqueous hydroxide solutions. According to the intercalation reaction, the c-lattice parameter was increased, and the increase indicated the expansion of the interlayer distance. In the case of alkali metal intercalates, the expansion of the interlayer distance increased continuously, corresponding to the atomic radius of the alkali metal. On the other hand, the hydroxide intercalates showed discrete expansion corresponding to the effective ionic radius of the intercalated cation. All intercalates of TaS 2 amd NbS 2 were superconductors. The expansion of the interlayer distance tended to increase the superconducting transition temperature in the intercalates of TaS 2 and vice versa in those of NbS 2 . (orig.)

  11. Organoelemental intercalation compounds in the system PbI2-ethan olamine

    International Nuclear Information System (INIS)

    Gurina, G.I.; Evtushenko, V.D.; Muraeva, O.A.; Ignatyuk, V.P.; Koshkin, V.M.

    1985-01-01

    Two intercalation phases with different stoichiometry in system PbI 2 -ethanolamine are identified, using the methods of IR spectroscopy, spectroscopy of diffusion reflection, X-ray phase and thermogravimetric analyses. Formation kinetics of intercalation compounds in the system, having two phases, differing in the content of intercalant in the matrix layers, is studied. In conformity with thermodynamic theory of intercalation, it is shown experimentally, that the value of a charge, transferred from intercalant molecules to the matrix layer, decreases with the increase in intercalant content in interlayer spaces

  12. Thermodynamics of Lithium Intercalation in Randomly Oriented High Graphene Carbon

    Directory of Open Access Journals (Sweden)

    Rahul S. Kadam

    2017-01-01

    Full Text Available This paper covers details of systematic investigation of the thermodynamics (entropy and enthalpy of intercalation associated with lithium ion in a structurally novel carbon, called Randomly Oriented High Graphene (ROHG carbon and graphite. Equilibrated OCV (Open Circuit Voltage versus temperature relationship is investigated to determine the thermodynamic changes with the lithium intercalation. ROHG carbon shows entropy of 9.36 J·mol−1·K−1 and shows no dependency on the inserted lithium concentration. Graphite shows initial entropy of 84.27 J·mol−1·K−1 and shows a strong dependence on lithium concentration. ROHG carbon (from −90.85 kJ mol−1 to −2.88 kJ mol−1 shows gradual change in the slope of enthalpy versus lithium ion concentration plot compared to graphite (−48.98 kJ mol−1 to 1.84 kJ mol−1. The study clearly shows that a lower amount of energy is required for the lithium ion intercalation into the ROHG structure compared to graphite structure. Randomly oriented graphene platelet cluster structure of ROHG carbon makes it easier for the intercalation or deintercalation of lithium ion. The ease of intercalation and the small cluster structure of ROHG as opposed to the long linear platelet structure of graphite lead to higher rates of the charge-discharge process for ROHG, when used as an electrode material in electrochemical applications.

  13. Adsorbed or intercalated: Na on graphene/Ir(111)

    Science.gov (United States)

    Pervan, Petar; Lazić, Predrag

    2017-09-01

    Interaction of sodium with graphene (Gr) on Ir(111) was studied with the aim to resolve the issue of Na adsorption/intercalation kinetics. The system Na/Gr/Ir(111) was studied by means of angle-resolved photoemission spectroscopy, low-energy electron diffraction, and ab initio density functional theory (DFT) calculation. It has been found that at room temperature (RT) and low concentrations Na is dominantly adsorbed on graphene. At higher concentrations, an intercalation process sets in so that it is possible to observe the coexistence of these two states. Eventually, all Na atoms are found in the intercalated state as determined by exposure to oxygen. While adsorption of Na on graphene already intercalated by Na [Na/Gr/Na/Ir(111) system] at RT was not possible, we could observe Li adsorption through the increase of Dirac point binding energy. Li coadsorption strongly affects the binding energy of the iridium surface state as well. This finding was supported by DFT calculations of adsorption energy of Na and Li on bare and fully Na intercalated graphene.

  14. Hybrid n-Alkylamine Intercalated Layered Titanates for Solid Lubrication.

    Science.gov (United States)

    Gonzalez Rodriguez, Pablo; Yuan, Huiyu; van den Nieuwenhuizen, Karin J H; Lette, Walter; Schipper, Dik J; Ten Elshof, Johan E

    2016-10-26

    The intercalation of different primary n-alkylamines in the structure of a layered titanate of the lepidocrocite type (H 1.07 Ti 1.73 O 4 ) for application in high-temperature solid lubrication is reported. The intercalation process of the amines was explored by means of in situ small-angle X-ray scattering (SAXS), with variations in alkyl chain length (3-12 carbon atoms) and the amine/titanate ratio. The intercalation process was found to be completed within 5 min after mixing of the precursors in water at 80 °C. The topotactic transformation of the layered titanate is driven by an acid-base reaction. The thermal degradation of the modified titanates was investigated by thermogravimetric analysis (TGA), and the chemical changes were investigated by temperature-dependent infrared spectroscopy (DRIFTS). The coefficient of friction of the lubricants was assessed by means of high-temperature pin-on-disc experiments up to 580 °C. The intercalation of amine rendered a deformable layered ceramic upon heating. It was found that the hydrocarbon chain length exerts an influence on the mechanical properties of the titanates, resulting in lower friction forces for lubricants with longer intercalated amine molecules. Films of solid lubricants with longer amine chain lengths showed coefficients of friction as low as 0.01, lower than that of the state-of-the-art material graphite.

  15. Intercalation and Exfoliation of Kaolinite with Sodium Dodecyl Sulfate

    Directory of Open Access Journals (Sweden)

    Xiaochao Zuo

    2018-03-01

    Full Text Available Kaolinite (Kaol was intercalated with dimethyl sulfoxide (DMSO and subsequently methanol (MeOH to prepare intercalation compounds Kaol-DMSO and Kaol-MeOH. Kaol-MeOH was used as an intermediate to synthesize Kaol-sodium dodecyl sulfate (SDS intercalation compound (Kaol-SDS via displacement reaction. The ultrasonic exfoliation of Kaol-SDS produced a resultant Kaol-SDS-U. The samples were characterized by X-ray diffraction (XRD, Fourier transformation infrared spectroscopy (FTIR, thermal analysis, scanning electronic microscopy (SEM, transmission electron microscopy (TEM and particle size analysis. The results revealed that the intercalation of sodium dodecyl sulfate into kaolinite layers caused an obvious increase of the basal spacing from 0.72–4.21 nm. The dehydroxylation temperature of Kaol-SDS was obviously lower than that of original kaolinite. During the intercalation process of sodium dodecyl sulfate, a few kaolinite layers were exfoliated and curled up from the edges of the kaolinite sheets. After sonication treatment, the kaolinite layers were further transformed into nanoscrolls, and the exfoliated resultant Kaol-SDS-U possessed a smaller particle size close to nanoscale.

  16. Highly n -doped graphene generated through intercalated terbium atoms

    Science.gov (United States)

    Daukiya, L.; Nair, M. N.; Hajjar-Garreau, S.; Vonau, F.; Aubel, D.; Bubendorff, J. L.; Cranney, M.; Denys, E.; Florentin, A.; Reiter, G.; Simon, L.

    2018-01-01

    We obtained highly n -type doped graphene by intercalating terbium atoms between graphene and SiC(0001) through appropriate annealing in ultrahigh vacuum. After terbium intercalation angle-resolved-photoelectron spectroscopy (ARPES) showed a drastic change in the band structure around the K points of the Brillouin zone: the well-known conical dispersion band of a graphene monolayer was superposed by a second conical dispersion band of a graphene monolayer with an electron density reaching 1015cm-2 . In addition, we demonstrate that atom intercalation proceeds either below the buffer layer or between the buffer layer and the monolayer graphene. The intercalation of terbium below a pure buffer layer led to the formation of a highly n -doped graphene monolayer decoupled from the SiC substrate, as evidenced by ARPES and x-ray photoelectron spectroscopy measurements. The band structure of this highly n -doped monolayer graphene showed a kink (a deviation from the linear dispersion of the Dirac cone), which has been associated with an electron-phonon coupling constant one order of magnitude larger than those usually obtained for graphene with intercalated alkali metals.

  17. Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Yi, Tanghong; Chen, Wei; Cheng, Lei; Bayliss, Ryan D.; Lin, Feng; Plews, Michael R.; Nordlund, Dennis; Doeff, Marca M.; Persson, Kristin A.; Cabana, Jordi (LBNL); (SLAC); (UIC); (UCB)

    2017-02-07

    Reversible intercalation reactions provide the basis for modern battery electrodes. Despite decades of exploration of electrode materials, the potential for materials in the nonoxide chemical space with regards to intercalation chemistry is vast and rather untested. Transition metal fluorides stand out as an obvious target. To this end, we report herein a new family of iron fluoride-based perovskite cathode materials AxK1–xFeF3 (A = Li, Na). By starting with KFeF3, approximately 75% of K+ ions were subsequently replaced by Li+ and Na+ through electrochemical means. X-ray diffraction and Fe X-ray absorption spectroscopy confirmed the existence of intercalation of alkali metal ions in the perovskite structure, which is associated with the Fe2+/3+ redox couple. A computational study by density functional theory showed agreement with the structural and electrochemical data obtained experimentally, which suggested the possibility of fluoride-based materials as potential intercalation electrodes. This study increases our understanding of the intercalation chemistry of ternary fluorides, which could inform efforts toward the exploration of new electrode materials.

  18. Intercalation of ethylene glycol into yttrium hydroxide layered materials.

    Science.gov (United States)

    Xi, Yuanzhou; Davis, Robert J

    2010-04-19

    Intercalation of ethylene glycol into layered yttrium hydroxide containing nitrate counterions was accomplished by heating the reagents in a methanol solution of sodium methoxide under autogenous pressure at 413 K for 20 h. The resulting crystalline material had an expanded interlayer distance of 10.96 A, confirming the intercalation of an ethylene glycol derived species. Characterization of the material by FT-IR spectroscopy, thermogravimetric analysis, and the catalytic transesterification of tributyrin with methanol was consistent with direct bonding of ethylene glycolate anions (O(2)C(2)H(5)(-)) to the yttrium hydroxide layers, forming Y-O-C bonds. The layers of the material are proposed to be held together by H-bonding between the hydroxyls of grafted ethylene glycol molecules attached to adjacent layers. Glycerol can also be intercalated into yttrium hydroxide layered materials by a similar method.

  19. Kinetics and mechanism of ionic intercalation/de-intercalation during the formation of α-cobalt hydroxide and its polymorphic transition to β-cobalt hydroxide: Reaction-diffusion framework

    KAUST Repository

    Rahbani, Janane

    2012-01-01

    We study the kinetics and mechanism of intercalation and de-intercalation of small anions during the formation of crystalline α-Co(OH) 2 and its transformation to β-Co(OH) 2 within a reaction-diffusion framework. We therein use fluorescence spectroscopy with Rhodamine 6G (Rh6G) as a probe as well as other spectroscopic and imaging techniques. The method is based on the reaction and diffusion of hydroxide ions into a gel matrix containing the Co(ii) ions, the conjugate anions to be intercalated and Rh6G. The advantage of this simple method is that it allows us to separate throughout space the various stages during the formation of α-Co(OH) 2 and its transformation to β-Co(OH) 2, thus enabling fluorescence measurements of the those stages by simply focusing on different areas of the tube. It also permits us to extract with ease the solids for characterization and image analysis. The macroscopic evolution of the system, which consists of a leading blue front designating the formation of α-Co(OH) 2 followed by a sharp blue/pink interface designating the transformation to the pink β-Co(OH) 2, exhibits different dynamics depending on the anion present in the gel. At a certain stage, the blue/pink interface stops its propagation and only the blue front continues. This represents clear evidence of the dependence of the kinetics of intercalation and de-intercalation on the nature of the anion. The coexisting polymorphs were collected and characterized using XRD, FTIR, Raman and UV-Vis. The fluorescence images of the α-Co(OH) 2 reveal clearly the presence of Rh6G between its layers, whereas images from the β polymorph indicate the opposite. Moreover, the fluorescence of Rh6G is monitored during the formation of α-Co(OH) 2 and its conversion to β-Co(OH) 2. During the formation, the fluorescence intensity and lifetime are significantly increased whereas the opposite happens during the transformation to the β phase. We are able to calculate the activation energies

  20. Evident?

    DEFF Research Database (Denmark)

    Plant, Peter

    2012-01-01

    Quality assurance and evidence in career guidance in Europe are often seen as self-evident approaches, but particular interests lie behind......Quality assurance and evidence in career guidance in Europe are often seen as self-evident approaches, but particular interests lie behind...

  1. Lithium intercalation in heat-treated petroleum cokes

    Science.gov (United States)

    Tran, T. D.; Spellman, L. M.; Goldberger, W. M.; Song, X.; Kinoshita, K.

    Petroleum needle cokes were processed by air-milling and heat treatment at three temperatures 1800, 2100 and 2350 °C, to produce a final average particle size of 10 p.m. The effects of air-milling (before and after heat treatment) on the physical and microstructural properties of the petroleum coke particles were examined. The results obtained for electrochemical lithium intercalation/de-intercalation in 0.5 M LiN(CF 3SO 2) 2/EC:DMC electrolyte using these petroleum cokes after the different processing conditions are reported.

  2. Atomic force microscopy studies of surface and dimensional changes in Li xCoO2 crystals during lithium de-intercalation

    International Nuclear Information System (INIS)

    Clemencon, A.; Appapillai, A.T.; Kumar, S.; Shao-Horn, Y.

    2007-01-01

    An in situ electrochemical atomic force microscopy (EC-AFM) cell was developed to study surface and dimensional changes of individual Li x CoO 2 crystals during lithium de-intercalation. Discrete Li 2 CO 3 particles having 50-250 nm in diameter and 5-15 nm in height were observed on the surface of stoichiometric LiCoO 2 crystals and they were shown to gradually dissolve into the LiPF 6 -containing electrolyte. The dimensional change of individual Li x CoO 2 crystals along the c hex. axis was monitored in situ during lithium de-intercalation. Evidence of surface instability or structural instability was not found in Li x CoO 2 single crystals upon de-intercalation to 4.2 V versus Li

  3. Soft-chemical synthesis and catalytic activity of Ni-Al and Co-Al layered double hydroxides (LDHs intercalated with anions with different charge density

    Directory of Open Access Journals (Sweden)

    Takahiro Takei

    2014-09-01

    Full Text Available Co-Al and Ni-Al layered double hydroxides (LDHs intercalated with three types of anionic molecules, dodecylsulfate (C12H25SO4−, DS, di-2-ethylsulfosuccinate ([COOC2H3EtBu]2C2H3SO3−, D2ES, and polytungstate (H2W12O4210−, HWO were prepared by means of ion-exchange and co-precipitation processes. With the use of DS and D2ES as intercalation agents, high crystallinity was maintained after intercalation into the LDHs. In the case of HWO, the intercalated LDHs could be obtained by ion-exchange as well as co-precipitation with a decline in the crystallinity; however, unreacted LDH was detected in the ion-exchange samples, and some unwanted phases such as hydroxide and pyrochlore were generated by the co-precipitation process. The maximum specific surface area and pore volume of the Ni-Al sample with intercalated HWO, prepared by the ion-exchange process were 74 m2/g and 0.174 mL/g, respectively. The occupancies of DS, D2ES, and HWO within the interlayer space were approximately 0.3–0.4, 0.5–0.6, and 0.1–0.2, respectively, in the Co-Al and Ni-Al LDHs. Analysis of the catalytic activity demonstrated that the DS-intercalated Ni-Al LDH sample exhibited relatively good catalytic activity for conversion of cyclohexanol to cyclohexanone.

  4. Synthesis and characterization of Zn-Ti layered double hydroxide intercalated with cinnamic acid for cosmetic application

    Science.gov (United States)

    Li, Yong; Tang, Liping; Ma, Xinxu; Wang, Xinrui; Zhou, Wei; Bai, Dongsheng

    2017-08-01

    The use of sunscreen is recently growing and their efficacy and safety must be taken into account since they are applied on the skin frequently. In this work, an organic ultraviolet (UV) ray absorbent, cinnamic acid (CA) was intercalated into Zn-Ti layered double hydroxide (LDH) by anion-exchange reaction. ZnTi-CA-LDH, a new type of host-guest UV-blocking material has been synthesized. Detailed structural and surface morphology of ZnTi-CA-LDH were characterized by XRD, FT-IR, SEM and TEM. ZnTi-CA-LDH exhibits a superior UV blocking ability compared to pure CA and ZnTi-CO3-LDH. The thermal stability of the intercalated ZnTi-CA-LDH was investigated by TG-DTA, which showed that the thermostability of CA was markedly enhanced after intercalation into ZnTi-CO3-LDH. The EPR data showed greatly decreased photocatalytic activity compared to common inorganic UV blocking agents TiO2 and ZnO. Furthermore, the sample was formulated in a sunscreen cream to study the matrix protective effect towards UV rays.

  5. Search for DNA damage by human alkyladenine DNA glycosylase involves early intercalation by an aromatic residue.

    Science.gov (United States)

    Hendershot, Jenna M; O'Brien, Patrick J

    2017-09-29

    DNA repair enzymes recognize and remove damaged bases that are embedded in the duplex. To gain access, most enzymes use nucleotide flipping, whereby the target nucleotide is rotated 180° into the active site. In human alkyladenine DNA glycosylase (AAG), the enzyme that initiates base excision repair of alkylated bases, the flipped-out nucleotide is stabilized by intercalation of the side chain of tyrosine 162 that replaces the lesion nucleobase. Previous kinetic studies provided evidence for the formation of a transient complex that precedes the stable flipped-out complex, but it is not clear how this complex differs from nonspecific complexes. We used site-directed mutagenesis and transient-kinetic approaches to investigate the timing of Tyr 162 intercalation for AAG. The tryptophan substitution (Y162W) appeared to be conservative, because the mutant protein retained a highly favorable equilibrium constant for flipping the 1, N 6 -ethenoadenine (ϵA) lesion, and the rate of N -glycosidic bond cleavage was identical to that of the wild-type enzyme. We assigned the tryptophan fluorescence signal from Y162W by removing two native tryptophan residues (W270A/W284A). Stopped-flow experiments then demonstrated that the change in tryptophan fluorescence of the Y162W mutant is extremely rapid upon binding to either damaged or undamaged DNA, much faster than the lesion-recognition and nucleotide flipping steps that were independently determined by monitoring the ϵA fluorescence. These observations suggest that intercalation by this aromatic residue is one of the earliest steps in the search for DNA damage and that this interaction is important for the progression of AAG from nonspecific searching to specific-recognition complexes. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  6. Enantiospecific kinking of DNA by a partially intercalating metal complex

    KAUST Repository

    Reymer, Anna

    2012-01-01

    Opposite enantiomers of [Ru(phenanthroline) 3] 2+ affect the persistence length of DNA differently, a long speculated effect of helix kinking. Our molecular dynamics simulations confirm a substantial change of duplex secondary structure produced by wedge-intercalation of one but not the other enantiomer. This effect is exploited by several classes of DNA operative proteins. © The Royal Society of Chemistry 2012.

  7. Measurement of thermal stress in graphite intercalated with bromine

    Energy Technology Data Exchange (ETDEWEB)

    Chung, D.D.L.; Wong, L.W.

    1988-03-01

    The thermal stress of graphite intercalated with bromine was found to increase from zero at about 100/degree/C to about 1.3 MPa at 200/degree/C. The effect was reversible with hysteresis. The thermal stress increase had a sharp temperature dependence due to its association with the exfoliation phase transition.

  8. Preparation of intercalated polyaniline/clay nanocomposite and its

    Indian Academy of Sciences (India)

    Intercalated composite of polyaniline and clay has been reported. The composite was prepared by in situ polymerization of aniline within the layers of `illite' clay. The composite was characterized for its structural, spectral, and microscopic properties. At higher level of loading the layered structure of composite breaks ...

  9. H-D exchange on graphite-potassium intercalation compounds

    International Nuclear Information System (INIS)

    Rummel, S.; Herrmann, M.; Wahren, M.; Junusov, S.M.; Ilatovskaja, M.A.; Isaev, Ju.B.; Lapkina, N.D.; Novikov, Ju.N.; Shur, V.B.

    1991-01-01

    Potassium Graphite Intercalation Compounds are able to activate C-H bonds of hydrocarbons at room temperature. In this paper the hydrogen-deuterium exchange of CHD 3 in the presence of C 8 K, C 24 K and C 36 K are described. (orig.)

  10. Superconductivity and magnetism in iron sulfides intercalated by metal hydroxides.

    Science.gov (United States)

    Zhou, Xiuquan; Eckberg, Christopher; Wilfong, Brandon; Liou, Sz-Chian; Vivanco, Hector K; Paglione, Johnpierre; Rodriguez, Efrain E

    2017-05-01

    Inspired by naturally occurring sulfide minerals, we present a new family of iron-based superconductors. A metastable form of FeS known as the mineral mackinawite forms two-dimensional sheets that can be readily intercalated by various cationic guest species. Under hydrothermal conditions using alkali metal hydroxides, we prepare three different cation and metal hydroxide-intercalated FeS phases including (Li 1- x Fe x OH)FeS, [(Na 1- x Fe x )(OH) 2 ]FeS, and K x Fe 2- y S 2 . Upon successful intercalation of the FeS layer, the superconducting critical temperature T c of mackinawite is enhanced from 5 K to 8 K for the (Li 1- x Fe x OH) δ + intercalate. Layered heterostructures of [(Na 1- x Fe x )(OH) 2 ]FeS resemble the natural mineral tochilinite, which contains an iron square lattice interleaved with a hexagonal hydroxide lattice. Whilst heterostructured [(Na 1- x Fe x )(OH) 2 ]FeS displays long-range magnetic ordering near 15 K, K x Fe 2- y S 2 displays short range antiferromagnetism.

  11. Adsorption and intercalation of anionic surfactants onto layered ...

    Indian Academy of Sciences (India)

    Unknown

    MS received 12 October 2004; revised 10 January 2005. Abstract. Layered ... son 2004). Bifunctional short chain anionic surfactant such as tartrate and succinate intercalated Zn/Cr LDH was prepared by Prevot and co-workers (1998). Terephthalate ..... He L, Yin S and Sato T 2003 Solid State Chem. 77 51. Isupov V P and ...

  12. Structural, energetic and electronic properties of intercalated boron ...

    Indian Academy of Sciences (India)

    an ideal non-interacting hosts for these one-dimensional chains of metal atoms. Their electronic properties are insignificantly modified. Keywords. Intercalated boron–nitride nanotubes; quantum chemical calculations. 1. Introduction. According to theoretical studies, carbon nanotubes are pre- dicted to be either metallic or ...

  13. Ionic liquid intercalated V2O5 nanorods: synthesis and ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. In this work, ionic liquid (IL) intercalated V2O5 (IL-V2O5) nanorods have been synthesized through the IL-assisted hydrothermal method using imidazolium-based functionalized IL at 130°C for 3 days. The structure and morphology of the obtained product was characterized using various techniques. X-ray.

  14. Electrochemical lithium intercalation into vanadium pentoxide xerogel film electrode

    Energy Technology Data Exchange (ETDEWEB)

    Pyun, Su Il; Bae, Joon Sung [Korea Advanced Inst. of Science and Technology, Daejon (Korea, Republic of). Dept. of Materials Science and Engineering

    1997-10-01

    The lithium-ion transport in vanadium pentoxide xerogel film electrodes has been investigated by using cyclic voltammetry and electrochemical impedance spectroscopy. The oxide xerogel film electrodes were prepared by spin-coating a viscous gel on an indium tin oxide (ITO) substrate. The spin-coated xerogel films were dried under vacuum at 130 and 270 C, respectively. The lithium intercalation into the xerogel film electrode dried at 270 C is limited by the interfacial reaction at the electrolyte/electrode interface rather than the lithium-ion transport in the oxide electrode. On the other hand, lithium intercalation into the film electrode dried at 130 C is largely limited by the lithium transport in the oxide film, and the chemical diffusivity of the lithium ion in the oxide film was determined to decrease from 10{sup -10} to 10{sup -12} cm{sup 2} s{sup -1} as the electrode potential of the oxide film fell from 3.0 to 2.2 V{sub Li/Li{sup +}}. The tranition of the diffusion-controlled intercalation to the interfacial reaction-controlled intercalation into the oxide xerogel film with decreasing drying temperature was explained in terms of the modification of the oxide lattice to a more open-structured lattice by structural modification of the oxide film by water molecules incorporated into the film. (orig.)

  15. Electronic spectra of anions intercalated in layered double hydroxides

    Indian Academy of Sciences (India)

    tions of the intercalated species (Boclair et al 2001). The metal contents of the samples were determined by atomic absorption spectroscopy (Varian Model AA240 Atomic. Absorption Spectrometer). Samples were digested in acid and total iron content in the case of ferrocyanide/ferricyanide and the total manganese content ...

  16. Preparation of intercalated polyaniline/clay nanocomposite and its ...

    Indian Academy of Sciences (India)

    Intercalated composite of polyaniline and clay has been reported. The composite was prepared by in situ polymerization of aniline within the layers of `illite' clay. The composite was characterized for its structural, spectral, and microscopic properties. At higher level of loading the layered structure of composite breaks ...

  17. Alkaline-earth metal phenylphosphonates and their intercalation chemistry

    Czech Academy of Sciences Publication Activity Database

    Melánová, Klára; Beneš, L.; Svoboda, J.; Zima, Vítězslav; Pospíšil, M.; Kovář, P.

    2018-01-01

    Roč. 47, č. 9 (2018), s. 2867-2880 ISSN 1477-9226 R&D Projects: GA ČR(CZ) GA17-10639S Institutional support: RVO:61389013 Keywords : intercalation * layered compounds * alkaline-earth metal phenylphosphonates Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 4.029, year: 2016

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

    Science.gov (United States)

    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.

  19. Modes of tetra(4-pyridyl)porphyrinatomanganese(III) ion intercalation inside natural clays.

    Science.gov (United States)

    Zyoud, Ahed; Jondi, Waheed; Mansour, Waseem; Majeed Khan, M A; Hilal, Hikmat S

    2016-01-01

    Metalloporphyrin ions, with planar shape, have been known to intercalate horizontally and diagonally between montmorillonite layers. Perpendicular intercalation inside montmorillonite has not been reported earlier. This work aims at achieving perpendicular intercalation inside montmorillonite in natural clays. Possible intercalation inside other forms of natural clay will also be investigated. Natural clays were purified and characterized. The naked clay powder was then refluxed with tetra(4-pyridyl)porphyrinatomanganese(III) ion (MnTPyP(+)) solution in methanol with continuous stirring for different times. Electronic absorption spectra, atomic absorption spectra, Fourier Transform infrared spectra, scanning electron microscopy and X-ray diffraction were all used in clay characterization and in intercalation study. The natural clay involved different phases, namely montmorillonite, biotite, kaolinite, illite and traces of quartz. Montmorillonite clay allowed horizontal, diagonal and perpendicular intercalation of the metalloporphyrin ions. Biotite allowed only horizontal intercalation. The mode of intercalation was deduced by monitoring the clay inter-planar distance value change. Intercalation occurred inside both micro- and nano-size clay powders to different extents. The nano-powder (average size ~50 nm) showed uptake values up to 3.8 mg MnTPyP/g solid, whereas the micro-size powder (average size ~316 nm) exhibited lower uptake (2.4 mg MnTPyP/g solid). Non-expandable clay phases did not allow any intercalation. The intercalated MnTPyP(+) ions showed promising future supported catalyst applications. Depending on their phase, natural clays hosted metalloporphyrin ions. Montmorillonite can allow all three possible intercalation geometries, horizontal, diagonal and for the first time perpendicular. Biotite allows horizontal intercalation only. Non-expandable clays allow no intercalation. Graphical abstractMetalloporphyrin complexes can be intercalated into

  20. Preparation and Characterization of Hyperbranched Polystyrene Nanocomposite Synthesized by Living Radical Polymerization and Solution Intercalation Method

    Directory of Open Access Journals (Sweden)

    Mojtaba Abbasian

    2013-01-01

    Full Text Available A copolymer of styrene and methyl styrene was synthesized by nitroxide - mediated “living” free radical polymerization NMP. N-Bromosuccinimide was used as a brominating agent to obtain a copolymer with bromine as its end group. This brominated copolymer was used as macro initiators for atom transfer  radical  polymerization  (ATRP.  Chemical  modifcation  of  the  clay  and transformation of this inorganic material to an organophilic clay was carried out by cation exchange reaction between the clay and hexadecyl trimethyl ammonium chloride salt in deionized water by mechanical stirring. Preparation of nanocomposite was carried out by solution intercalation method. The structures of the terpolymer and other compounds were investigated by 1H NMR, GPC, FTIR, SEM, TEM and XRD methods and their thermal stability was examined by TGA analyses.

  1. High-Density Chemical Intercalation of Zero-Valent Copper into Bi 2 Se 3 Nanoribbons

    KAUST Repository

    Koski, Kristie J.

    2012-05-09

    A major goal of intercalation chemistry is to intercalate high densities of guest species without disrupting the host lattice. Many intercalant concentrations, however, are limited by the charge of the guest species. Here we have developed a general solution-based chemical method for intercalating extraordinarily high densities of zero-valent copper metal into layered Bi 2Se 3 nanoribbons. Up to 60 atom % copper (Cu 7.5Bi 2Se 3) can be intercalated with no disruption to the host lattice using a solution disproportionation redox reaction. © 2012 American Chemical Society.

  2. Tuning the electronic structure of graphene through alkali metal and halogen atom intercalation

    Science.gov (United States)

    Ahmad, Sohail; Miró, Pere; Audiffred, Martha; Heine, Thomas

    2018-04-01

    The deposition, intercalation and co-intercalation of heavy alkali metals and light halogens atoms in graphene mono- and bilayers have been studied using first principles density-functional calculations. Both the deposition and the intercalation of alkali metals gives rise to n-type doping due to the formation of M+-C- pairs. The co-intercalation of a 1:1 ratio of alkali metals and halogens derives into the formation of ionic pairs among the intercalated species, unaltering the electronic structure of the layered material.

  3. Strontium Metylphosphonate Trihydrate: An Example of a New Class of Host Materials for Intercalation Reactions - Synthesis, Structure and Intercalation Behavior

    Czech Academy of Sciences Publication Activity Database

    Beneš, L.; Melánová, Klára; Svoboda, Jan; Zima, Vítězslav; Růžička, A.; Trchová, Miroslava

    2011-01-01

    Roč. 6, leden (2011), s. 850-859 ISSN 1434-1948 R&D Projects: GA ČR GA203/08/0208 Institutional research plan: CEZ:AV0Z40500505 Keywords : layered compounds * intercalates * solid-state structures Subject RIV: CA - Inorganic Chemistry Impact factor: 3.049, year: 2011

  4. Sodium-Ion Intercalated Transparent Conductors with Printed Reduced Graphene Oxide Networks.

    Science.gov (United States)

    Wan, Jiayu; Gu, Feng; Bao, Wenzhong; Dai, Jiaqi; Shen, Fei; Luo, Wei; Han, Xiaogang; Urban, Daniel; Hu, Liangbing

    2015-06-10

    In this work, we report for the first time that Na-ion intercalation of reduced graphene oxide (RGO) can significantly improve its printed network's performance as a transparent conductor. Unlike pristine graphene that inhibits Na-ion intercalation, the larger layer-layer distance of RGO allows Na-ion intercalation, leading to simultaneously much higher DC conductivity and higher optical transmittance. The typical increase of transmittance from 36% to 79% and decrease of sheet resistance from 83k to 311 Ohms/sq in the printed network was observed after Na-ion intercalation. Compared with Li-intercalated graphene, Na-ion intercalated RGO shows much better environmental stability, which is likely due to the self-terminating oxidation of Na ions on the RGO edges. This study demonstrated the great potential of metal-ion intercalation to improve the performance of printed RGO network for transparent conductor applications.

  5. Uniform second Li ion intercalation in solid state ϵ-LiVOPO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Wangoh, Linda W.; Quackenbush, Nicholas F. [Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York 13902 (United States); Sallis, Shawn [Materials Science and Engineering, Binghamton University, Binghamton, New York 13902 (United States); Wiaderek, Kamila M.; Ma, Lu; Wu, Tianpin; Chapman, Karena W. [X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Lin, Yuh-Chieh; Ong, Shyue Ping [Department of NanoEngineering, University of California San Diego, 9500 Gilman Drive 0448, La Jolla, California 92093 (United States); Wen, Bohua; Chernova, Natasha A.; Whittingham, M. Stanley [NECCES, Binghamton University, Binghamton, New York 13902 (United States); Guo, Jinghua [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Lee, Tien-Lin; Schlueter, Christoph [Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Piper, Louis F. J., E-mail: lpiper@binghamton.edu [Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York 13902 (United States); Materials Science and Engineering, Binghamton University, Binghamton, New York 13902 (United States)

    2016-08-01

    Full, reversible intercalation of two Li{sup +} has not yet been achieved in promising VOPO{sub 4} electrodes. A pronounced Li{sup +} gradient has been reported in the low voltage window (i.e., second lithium reaction) that is thought to originate from disrupted kinetics in the high voltage regime (i.e., first lithium reaction). Here, we employ a combination of hard and soft x–ray photoelectron and absorption spectroscopy techniques to depth profile solid state synthesized LiVOPO{sub 4} cycled within the low voltage window only. Analysis of the vanadium environment revealed no evidence of a Li{sup +} gradient, which combined with almost full theoretical capacity confirms that disrupted kinetics in the high voltage window are responsible for hindering full two lithium insertion. Furthermore, we argue that the uniform Li{sup +} intercalation is a prerequisite for the formation of intermediate phases Li{sub 1.50}VOPO{sub 4} and Li{sub 1.75}VOPO{sub 4}. The evolution from LiVOPO{sub 4} to Li{sub 2}VOPO{sub 4} via the intermediate phases is confirmed by direct comparison between O K–edge absorption spectroscopy and density functional theory.

  6. Uniform second Li ion intercalation in solid state ϵ-LiVOPO4

    International Nuclear Information System (INIS)

    Wangoh, Linda W.; Quackenbush, Nicholas F.; Sallis, Shawn; Wiaderek, Kamila M.; Ma, Lu; Wu, Tianpin; Chapman, Karena W.; Lin, Yuh-Chieh; Ong, Shyue Ping; Wen, Bohua; Chernova, Natasha A.; Whittingham, M. Stanley; Guo, Jinghua; Lee, Tien-Lin; Schlueter, Christoph; Piper, Louis F. J.

    2016-01-01

    Full, reversible intercalation of two Li + has not yet been achieved in promising VOPO 4 electrodes. A pronounced Li + gradient has been reported in the low voltage window (i.e., second lithium reaction) that is thought to originate from disrupted kinetics in the high voltage regime (i.e., first lithium reaction). Here, we employ a combination of hard and soft x–ray photoelectron and absorption spectroscopy techniques to depth profile solid state synthesized LiVOPO 4 cycled within the low voltage window only. Analysis of the vanadium environment revealed no evidence of a Li + gradient, which combined with almost full theoretical capacity confirms that disrupted kinetics in the high voltage window are responsible for hindering full two lithium insertion. Furthermore, we argue that the uniform Li + intercalation is a prerequisite for the formation of intermediate phases Li 1.50 VOPO 4 and Li 1.75 VOPO 4 . The evolution from LiVOPO 4 to Li 2 VOPO 4 via the intermediate phases is confirmed by direct comparison between O K–edge absorption spectroscopy and density functional theory.

  7. Preparation of Sulfur-Free Exfoliated Graphite by a Two-Step Intercalation Process and Its Application for Adsorption of Oils

    Directory of Open Access Journals (Sweden)

    Jun He

    2017-01-01

    Full Text Available The sulfur-free exfoliated graphite (EG was prepared by a two-step chemical oxidation process, using natural flake graphite (NFG as the precursor. The first chemical intercalation process was carried out at a temperature of 30°C for 50 min, with the optimum addition of NFG, potassium permanganate, and perchloric acid in a weight ratio of 1 : 0.4 : 10.56. Then, in the secondary intercalation step, dipotassium phosphate was employed as the intercalating agent to further increase the exfoliated volume (EV of EG. NFG, graphite intercalation compound (GIC, and EG were characterized by scanning electron microscope (SEM, energy dispersive spectrometer (EDS, X-ray diffractometer (XRD, Fourier transform infrared spectrometer (FTIR, BET surface area, and porosity analyzer. Also, the uptakes of crude oil, diesel oil, and gasoline by EG were determined. Results show that perchloric acid and hydrogen phosphate are validated to enter into the interlayer of graphite flake. The obtained EG possesses a large exfoliated volume (EV and has an excellent affinity to oils; thus, the material has rapid adsorption rates and high adsorption capacities for crude oil, diesel oil, and gasoline.

  8. Interfacial reactions between graphite electrodes and propylene carbonate-based solutions: Electrolyte-concentration dependence of electrochemical lithium intercalation reaction

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Soon-Ki [Department of Chemical Engineering, Soonchunhyang University, Asan, Chungnam 336-745 (Korea); Inaba, Minoru [Department of Molecular Science and Technology, Faculty of Engineering, Doshisha University, Kyotanabe, Kyoto 610-0321 (Japan); Iriyama, Yasutoshi; Abe, Takeshi; Ogumi, Zempachi [Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510 (Japan)

    2008-01-03

    This study examines the electrochemical reactions occurring at graphite negative electrodes of lithium-ion batteries in a propylene carbonate (PC) electrolyte that contains different concentrations of lithium salts such as, LiClO{sub 4}, LiPF{sub 6} or LiN(SO{sub 2}C{sub 2}F{sub 5}){sub 2}. The electrode reactions are significantly affected by the electrolyte concentration. In concentrated solutions, lithium ions are reversibly intercalated within the graphite to form stage 1 lithium-graphite intercalation compounds (Li-GICs), regardless of the lithium salt used. On the other hand, electrolyte decomposition and exfoliation of the graphene layers occur continuously in the low-concentration range. In situ analysis with atomic force microscopy reveals that a thin film (thickness of {proportional_to}8 nm) forms on the graphite surface in a concentrated solution, e.g., 3.27 mol kg{sup -1} LiN(SO{sub 2}C{sub 2}F{sub 5}){sub 2}/PC, after the first potential cycle between 2.9 and 0 V versus Li{sup +}/Li. There is no evidence of the co-intercalation of solvent molecules in the concentrated solution. (author)

  9. Water-mediated cation intercalation of open-framework indium hexacyanoferrate with high voltage and fast kinetics.

    Science.gov (United States)

    Chen, Liang; Shao, Hezhu; Zhou, Xufeng; Liu, Guoqiang; Jiang, Jun; Liu, Zhaoping

    2016-06-20

    Rechargeable aqueous metal-ion batteries made from non-flammable and low-cost materials offer promising opportunities in large-scale utility grid applications, yet low voltage and energy output, as well as limited cycle life remain critical drawbacks in their electrochemical operation. Here we develop a series of high-voltage aqueous metal-ion batteries based on 'M(+)/N(+)-dual shuttles' to overcome these drawbacks. They utilize open-framework indium hexacyanoferrates as cathode materials, and TiP2O7 and NaTi2(PO4)3 as anode materials, respectively. All of them possess strong rate capability as ultra-capacitors. Through multiple characterization techniques combined with ab initio calculations, water-mediated cation intercalation of indium hexacyanoferrate is unveiled. Water is supposed to be co-inserted with Li(+) or Na(+), which evidently raises the intercalation voltage and reduces diffusion kinetics. As for K(+), water is not involved in the intercalation because of the channel space limitation.

  10. A Critical Review of the Current Evidence for Measuring Drug Concentrations of First-Line Agents Used to Treat Tuberculosis in Children.

    Science.gov (United States)

    Wilby, Kyle John; Shabana, Sara; Ensom, Mary H H; Marra, Fawziah

    2016-01-01

    Tuberculosis is a leading cause of infectious disease-related morbidity and mortality worldwide. Additionally, treatment is complex with most patients requiring combination therapy of first-line agents for multiple months. Children are especially at risk from the medications used to treat tuberculosis and therefore interventions to optimize both efficacy and safety are needed. Protocols exist for therapeutic drug monitoring in tuberculosis patients yet there is a gap in knowledge regarding the extent of any benefits achieved, especially in children. This review aims to summarize and evaluate literature reporting outcomes related to the measurement of drug concentrations of first-line agents used to treat tuberculosis (rifampin, isoniazid, pyrazinamide, ethambutol) in children. Findings showed a lack of strong evidence to support therapeutic drug monitoring in children with tuberculosis. Standard weight-based dosing of first-line agents does not commonly achieve target concentrations yet the effect on clinical outcomes remains unclear. As such, therapeutic drug monitoring should not be recommended currently as a widespread practice for all children with tuberculosis. However, future research should assess any benefit in special populations such as those with relapsing or recurrent disease, or those presenting with adverse drug reactions.

  11. Synthesis of graphene oxide-intercalated alpha-hydroxides by metathesis and their decomposition to graphene/metal oxide composites

    OpenAIRE

    Nethravathi, C; Rajamathi, Michael; Ravishankar, N; Basit, Lubna; Felser, Claudia

    2010-01-01

    Graphene oxide-intercalated alpha-metal hydroxides were prepared using layers from the delaminated colloidal dispersions of cetyltrimethylammonium-intercalated graphene oxide and dodecylsulfate-intercalated alpha-hydroxide of nickel/cobalt as precursors. The reaction of the two dispersions leads to de-intercalation of the interlayer ions from both the layered solids and the intercalation of the negatively charged graphene oxide sheets between the positively charged layers of the alpha-hydroxi...

  12. Enhancement of Friction by Water Intercalated between Graphene and Mica.

    Science.gov (United States)

    Lee, Hyunsoo; Ko, Jae-Hyeon; Choi, Jin Sik; Hwang, Jin Heui; Kim, Yong-Hyun; Salmeron, Miquel; Park, Jeong Young

    2017-08-03

    Common experience shows that friction converts mechanical energy into heat. The first part of this process is vibrational excitation of atoms at the interface between rubbing bodies. The second part is the removal of the vibration energy by transferring it from the interface to the substrate. However, it is difficult to disentangle the excitation and energy transfer processes. We solved this by using a system consisting of a SiO 2 -terminated tip sliding over graphene deposited on mica with intercalated water between them. The intercalated water was found to increase friction by a factor of ∼3 relative to dry mica. Density functional theory calculations show that water broadens the spectral range of graphene vibrations-particularly the low-frequency flexural modes-thus providing new excitation channels and also by increasing the overlap with the atomic vibrations of the mica substrate, which facilitates coupling and energy transfer.

  13. Fabrication of graphene device from graphite intercalation compound

    Science.gov (United States)

    Yagi, Ryuta; Kobara, Hiroaki; Shimomura, Midori; Tahara, Fumiya; Fukada, Seiya

    2012-02-01

    The mechanical exfoliation of graphite is possibly the simplest and practical method in laboratories to obtain graphene flakes for scientific research. However efficiency for obtaining graphene, with desired layer-number and size, depends largely on crystal specific characters, eg., dislocations. To improve the issue, we have adopted graphite intercalation compound (GIC) instead of graphite for a starting material. Generally, GIC is chemically active. We used SbCl5- GIC, which is stable in the atmosphere. Stage structure of SbCl5-GIC could be tuned by temperature of intercalation. We found that considerable number of undoped graphene flakes coexisted with thin SbCl5-GIC flakes, on a substrate where flakes were transferred.?Statistical inspection of number of graphene layer indicated that it is significantly dependent on the stage number of GIC.

  14. Induced magnetism in transition metal intercalated graphitic systems

    KAUST Repository

    Kaloni, Thaneshwor P.

    2011-10-26

    We investigate the structure, chemical bonding, electronic properties, and magnetic behavior of a three-dimensional graphitic network in aba and aaa stacking with intercalated transition metal atoms (Mn, Fe, Co, Ni, and Cu). Using density functional theory, we find induced spin-polarization of the C atoms both when the graphene sheets are aba stacked (forming graphite) and aaa stacked (resembling bi-layer graphene). The magnetic moment induced by Mn, Fe, and Co turns out to vary from 1.38 μB to 4.10 μB, whereas intercalation of Ni and Cu does not lead to a magnetic state. The selective induction of spin-polarization can be utilized in spintronic and nanoelectronic applications.

  15. Intercalation compounds of vanadium(5) phosphates with glycerol

    International Nuclear Information System (INIS)

    Yakovleva, T.N.; Vykhodtseva, K.I.; Tarasova, D.V.; Soderzhinova, M.M.

    1997-01-01

    Interaction products of glycerol aqueous solutions with vanadium(5) phosphates were investigated by the methods of ESR, X-ray phase and thermal analyses. It is shown that glycerol molecules enter the interlayer space of VOPO 4 · 2H 2 O lattice with formation of disordered intercalated compounds with glycerol on the basis of partially reduced vanadium phosphate form when using α-VOPO 4 . 16 refs., 4 figs., 1 tab

  16. Exfoliation and intercalation of montmorillonite by small peptides.

    Science.gov (United States)

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

    2015-04-01

    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

  17. Molecular Intercalation and Cohesion of Organic Bulk Heterojunction Photovoltaic Devices

    KAUST Repository

    Bruner, Christopher

    2013-01-17

    The phase separated bulk heterojunction (BHJ) layer in BHJ polymer:fullerene organic photovoltaic devices (OPV) are mechanically weak with low values of cohesion. Improved cohesion is important for OPV device thermomechanical reliability. BHJ devices are investigated and how fullerene intercalation within the active layer affects cohesive properties in the BHJ is shown. The intercalation of fullerenes between the side chains of the polymers poly(3,3″′-didocecyl quaterthiophene) (PQT-12) and poly(2,5-bis(3-hexadecylthiophen-2-yl)thieno[3,2-b]thiophene (pBTTT) is shown to enhance BHJ layer cohesion. Cohesion values range from ≈1 to 5 J m -2, depending on the polymer:fullerene blend, processing conditions, and composition. Devices with non-intercalated BHJ layers are found to have significantly reduced values of cohesion. The resulting device power conversion efficiencies (PCE) are also investigated and correlated with the device cohesion. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Selective and low temperature transition metal intercalation in layered tellurides

    Science.gov (United States)

    Yajima, Takeshi; Koshiko, Masaki; Zhang, Yaoqing; Oguchi, Tamio; Yu, Wen; Kato, Daichi; Kobayashi, Yoji; Orikasa, Yuki; Yamamoto, Takafumi; Uchimoto, Yoshiharu; Green, Mark A.; Kageyama, Hiroshi

    2016-12-01

    Layered materials embrace rich intercalation reactions to accommodate high concentrations of foreign species within their structures, and find many applications spanning from energy storage, ion exchange to secondary batteries. Light alkali metals are generally most easily intercalated due to their light mass, high charge/volume ratio and in many cases strong reducing properties. An evolving area of materials chemistry, however, is to capture metals selectively, which is of technological and environmental significance but rather unexplored. Here we show that the layered telluride T2PTe2 (T=Ti, Zr) displays exclusive insertion of transition metals (for example, Cd, Zn) as opposed to alkali cations, with tetrahedral coordination preference to tellurium. Interestingly, the intercalation reactions proceed in solid state and at surprisingly low temperatures (for example, 80 °C for cadmium in Ti2PTe2). The current method of controlling selectivity provides opportunities in the search for new materials for various applications that used to be possible only in a liquid.

  19. Towards efficient solar hydrogen production by intercalated carbon nitride photocatalyst.

    Science.gov (United States)

    Gao, Honglin; Yan, Shicheng; Wang, Jiajia; Huang, Yu An; Wang, Peng; Li, Zhaosheng; Zou, Zhigang

    2013-11-07

    The development of efficient photocatalytic material for converting solar energy to hydrogen energy as viable alternatives to fossil-fuel technologies is expected to revolutionize energy shortage and environment issues. However, to date, the low quantum yield for solar hydrogen production over photocatalysts has hindered advances in the practical applications of photocatalysis. Here, we show that a carbon nitride intercalation compound (CNIC) synthesized by a simple molten salt route is an efficient polymer photocatalyst with a high quantum yield. We found that coordinating the alkali metals into the C-N plane of carbon nitride will induce the un-uniform spatial charge distribution. The electrons are confined in the intercalated region while the holes are in the far intercalated region, which promoted efficient separation of photogenerated carriers. The donor-type alkali metal ions coordinating into the nitrogen pots of carbon nitrides increase the free carrier concentration and lead to the formation of novel nonradiative paths. This should favor improved transport of the photogenerated electron and hole and decrease the electron-hole recombination rate. As a result, the CNIC exhibits a quantum yield as high as 21.2% under 420 nm light irradiation for solar hydrogen production. Such high quantum yield opens up new opportunities for using cheap semiconducting polymers as energy transducers.

  20. Selective and low temperature transition metal intercalation in layered tellurides

    Science.gov (United States)

    Yajima, Takeshi; Koshiko, Masaki; Zhang, Yaoqing; Oguchi, Tamio; Yu, Wen; Kato, Daichi; Kobayashi, Yoji; Orikasa, Yuki; Yamamoto, Takafumi; Uchimoto, Yoshiharu; Green, Mark A.; Kageyama, Hiroshi

    2016-01-01

    Layered materials embrace rich intercalation reactions to accommodate high concentrations of foreign species within their structures, and find many applications spanning from energy storage, ion exchange to secondary batteries. Light alkali metals are generally most easily intercalated due to their light mass, high charge/volume ratio and in many cases strong reducing properties. An evolving area of materials chemistry, however, is to capture metals selectively, which is of technological and environmental significance but rather unexplored. Here we show that the layered telluride T2PTe2 (T=Ti, Zr) displays exclusive insertion of transition metals (for example, Cd, Zn) as opposed to alkali cations, with tetrahedral coordination preference to tellurium. Interestingly, the intercalation reactions proceed in solid state and at surprisingly low temperatures (for example, 80 °C for cadmium in Ti2PTe2). The current method of controlling selectivity provides opportunities in the search for new materials for various applications that used to be possible only in a liquid. PMID:27966540

  1. Crystal structures of superconducting sodium intercalates of hafnium nitride chloride

    International Nuclear Information System (INIS)

    Oro-Sole, J.; Frontera, C.; Beltran-Porter, D.; Lebedev, O.I.; Van Tendeloo, G.; Fuertes, A.

    2006-01-01

    Sodium intercalation compounds of HfNCl have been prepared at room temperature in naphtyl sodium solutions in tetrahydrofuran and their crystal structure has been investigated by Rietveld refinement using X-ray powder diffraction data and high-resolution electron microscopy. The structure of two intercalates with space group R3-bar m and lattice parameters a=3.58131(6)A, c=57.752(6)A, and a=3.58791(8)A, c=29.6785(17)A is reported, corresponding to the stages 2 and 1, respectively, of Na x HfNCl. For the stage 2 phase an ordered model is presented, showing two crystallographically independent [HfNCl] units with an alternation of the Hf-Hf interlayer distance along the c-axis, according with the occupation by sodium atoms of one out of two van der Waals gaps. Both stages 1 and 2 phases are superconducting with critical temperatures between 20 and 24K, they coexist in different samples with proportions depending on the synthesis conditions, and show a variation in c spacing that can be correlated with the sodium stoichiometry. High-resolution electron microscopy images of the host and intercalated samples show bending of the HfNCl bilayers as well as stacking faults in some regions, which coexist in the same crystal with ordered domains

  2. Recognition and Treatment of Nerve Agent Casualties: Evidence of Reduced Learner Engagement During Video-based Training.

    Science.gov (United States)

    Bukoski, Alex; Uhlich, Rindi; Tucker, Johnny; Cooper, Chris; Barnes, Steve

    2016-05-01

    Changes in electrodermal activity (EDA) correlate with arousal and stress during stimulating experiences. We hypothesized that associations exist between short-term performance gains and changes in EDA. A total of 187 combat medics were randomly assigned to simulation (S), live tissue (L), or video (V) based training in the recognition and treatment of nerve agent casualties. Change in EDA from baseline to training was quantified for tonic and phasic responses and was categorized as positive (>+10%), no change (±10%), or negative ( S ∼ V) were observed. Notably, larger proportions of trainees experienced negative changes in tonic (67%) and phasic (21%) EDA measures in the V group when compared to the L and S groups. Regardless of training modality, negative tonic and phasic EDA responses were associated with lower psychomotor performance gains and this finding approached statistical significance (tonic: p = 0.056, phasic: p = 0.08). No significant differences were noted in pre- to post-training cognitive performance between EDA response categories. As quantified by EDA response to training, reduced arousal was associated with lower short-term psychomotor, but not cognitive, performance gains. Reprint & Copyright © 2016 Association of Military Surgeons of the U.S.

  3. Exposure to the Riot Control Agent CS and Potential Health Effects: A Systematic Review of the Evidence

    Directory of Open Access Journals (Sweden)

    Yiannis Dimitroglou

    2015-01-01

    Full Text Available o-Chlorobenzylidene malononitrile (CS is one of the most extensively used riot control agents. Our aim was to conduct a systematic review of the potential health effects related to CS exposure. We searched for papers in English between 1991 and 2014. Thirty five (35 studies (25 case reports, seven descriptive studies and three analytical studies were included in the review. In the twenty five case reports/series 90 cases of exposure to CS and their clinical effects are presented. Their mean age was 25.7 years and 62.0% were males. In addition, 61% of the cases described dermal, 40% respiratory, 57% ocular clinical effects. Life threatening situations as well as long-term health effects were found and were related with exposure to confined/enclosed space. Descriptive and analytical studies have shown attack rates ranging from 12% to 40%. Subjects who were sprayed by the police more often needed special treatment and reported adverse health effects. Apart from transient clinical effects, CS could have lasting and serious effects on human health. Better surveillance of the subjects exposed to CS and completion of cohort studies among exposed populations will illuminate the spectrum of the health effects of exposure to CS.

  4. Exposure to the riot control agent CS and potential health effects: a systematic review of the evidence.

    Science.gov (United States)

    Dimitroglou, Yiannis; Rachiotis, George; Hadjichristodoulou, Christos

    2015-01-27

    o-Chlorobenzylidene malononitrile (CS) is one of the most extensively used riot control agents. Our aim was to conduct a systematic review of the potential health effects related to CS exposure. We searched for papers in English between 1991 and 2014. Thirty five (35) studies (25 case reports, seven descriptive studies and three analytical studies) were included in the review. In the twenty five case reports/series 90 cases of exposure to CS and their clinical effects are presented. Their mean age was 25.7 years and 62.0% were males. In addition, 61% of the cases described dermal, 40% respiratory, 57% ocular clinical effects. Life threatening situations as well as long-term health effects were found and were related with exposure to confined/enclosed space. Descriptive and analytical studies have shown attack rates ranging from 12% to 40%. Subjects who were sprayed by the police more often needed special treatment and reported adverse health effects. Apart from transient clinical effects, CS could have lasting and serious effects on human health. Better surveillance of the subjects exposed to CS and completion of cohort studies among exposed populations will illuminate the spectrum of the health effects of exposure to CS.

  5. Negative evidence for stachydrine or Galeopsis ladanum L. seeds as the causal agents of coturnism after quail meat ingestion.

    Science.gov (United States)

    Uriarte-Pueyo, Inigo; Goicoechea, María; Gil, Ana Gloria; López de Cerain, Adela; López de Munain, Adolfo; Calvo, María Isabel

    2009-11-25

    Quail poisoning is known to produce an acute myoglobinuric syndrome called coturnism. The cause of this syndrome is still unknown, although it has been postulated that Galeopsis ladanum L. seeds, in particular lipidic compounds or stachydrine, are responsible for this toxicity. Thus, we aimed to study the implication of this plant in coturnism in order to explore the physiopathology of the disease, especially with regard to stachydrine and lipidic compounds extracted from seeds. For this purpose, Wistar rats were fed with G. ladanum seed extracts or with quail meat. However, the rhabdomyolysis outbreak could not be reproduced in any case. Therefore, in view of our results and experimental conditions, seeds of G. ladanum and stachydrine do not appear to be the responsible agents of the myopathic outbreak. This conclusion is supported by the following facts: direct administration of extracts of seeds of G. ladanum or stachydrine produces no myotoxicity in rats; G. ladanum seeds are not toxic to quails and meat from quails fed G. ladanum seeds is not toxic to rats.

  6. Intercalation compounds of NbSe2 und SnSe2. Model systems for low-dimensional superconductors

    International Nuclear Information System (INIS)

    Herzinger, Michael

    2013-01-01

    Quasi-two-dimensional (2D) metal dichalcogenides have received considerable research interest since their complex anisotropic electronic properties can be controlled by the intercalation of donor species. Although layered dichalcogenides have been studied by many aspects of chemical and physical properties, their two-dimensional character is only poorly understood. The present work deals with the layer-shaped dichalcogenides SnSe 2 and NbSe 2 . The host-material SnSe 2 was synthesized by chemical transport with Iodine as transport agent in sealed quartz ampoules. The intercalation of the semiconducting layered single crystals SnSe 2 with the organometallic compound cobaltocene (CoCp 2 ) leads to superconductivity up to T = 8 K. Ex-situ intercalation studies show an intercalation-mechanism outgoing from the host material 2H-SnSe 2 in a stage-2 phase which goes over in a stage-1 phase for higher intercalation degrees. In addition, SnSe 2 {CoCp 2 } x show remarkable low-temperature properties e.g. the coexistence of superconductivity and magnetism in dependence of the staging and cobaltocene-content of the material. Starting from an intercalation degree of 17% CoCp 2 long range ordered magnetism (with increasing saturation magnetization) was observed in 18R-SnSe 2 {CoCp 2 } x . Furthermore SnSe 2 {CoCp 2 } x show an extremely sensitive superconducting pinning behavior in very small magnetic fields partially below B 2 -content. A phase diagram was developed in dependence of the degree of intercalation over the whole range of intercalation between 0 % and 33 %. For comparison of the low-temperature character of SnSe 2 {CoCp 2 } x , another layer-shaped superconductor NbSe 2 was intercalated with CoCp 2 . The layered high-k s-wave superconductor 2H-NbSe 2 belongs to the most prominent low-dimensional materials studied during the past fifty years. After the discovery of the high temperature superconductor MgB 2 , a benchmark system for multi-band superconductivity, NbSe 2

  7. Single nucleotide polymorphism discrimination with and without an ethidium bromide intercalator

    International Nuclear Information System (INIS)

    Fenati, Renzo A.; Connolly, Ashley R.; Ellis, Amanda V.

    2017-01-01

    Single nucleotide polymorphism (SNP) genotyping is an important aspect in understanding genetic variations. Here, we discriminate SNPs using toe-hold mediated displacement reactions. The biological target is an 80 nucleotide long double-stranded–DNA from the mtDNA HV1 region, associated with maternal ancestry. This target has been specially designed with a pendant toehold and a cationic fluorophore, ATTO 647N, as a reporter, produced in a polymerase chain reaction. Rates of reaction for the toehold-polymerase chain reaction products (TPPs) with their corresponding complementary displacing sequences, labelled with a Black Hole Quencher 1, followed the order TPP–Cytosine > TPP–Thymine > TPP–Adenine ≥ TPP–Guanine. Non-complementary rates were the slowest with mismatches involving cytosine. These reactions, operating in a static/or contact mode, gave averaged readouts between SNPs within 15 min (with 80–90% quenching), compared to 25–30 min in previous studies involving fluorescence resonance energy transfer. Addition of an intercalating agent, ethidium bromide, retarded the rate of reaction in which cytosine was involved, presumably through stabilization of the base pairing, which resulted in markedly improved discrimination of cytosine containing SNPs. - Highlights: • Fluorophores and DNA intercalators effect the rate of toehold-mediated strand displacement. • Ethidium bromide had a destabilizing effect on mismatches that contained cytosine. • A cationic fluorophore and Black Hole Quencher 1 strand displacement system was 2–3 times faster than a FRET system. • This enabled SNP detection using toehold-mediated strand displacement in 15 min.

  8. Single nucleotide polymorphism discrimination with and without an ethidium bromide intercalator

    Energy Technology Data Exchange (ETDEWEB)

    Fenati, Renzo A.; Connolly, Ashley R. [Flinders Centre for Nanoscale Science and Technology, Flinders University, Sturt Road, Bedford Park, Adelaide, South Australia 5042 (Australia); Ellis, Amanda V., E-mail: amanda.ellis@flinders.edu.au [Flinders Centre for Nanoscale Science and Technology, Flinders University, Sturt Road, Bedford Park, Adelaide, South Australia 5042 (Australia); Chemical and Biomolecular Engineering, The University of Melbourne, Parkville, VIC 3010 (Australia)

    2017-02-15

    Single nucleotide polymorphism (SNP) genotyping is an important aspect in understanding genetic variations. Here, we discriminate SNPs using toe-hold mediated displacement reactions. The biological target is an 80 nucleotide long double-stranded–DNA from the mtDNA HV1 region, associated with maternal ancestry. This target has been specially designed with a pendant toehold and a cationic fluorophore, ATTO 647N, as a reporter, produced in a polymerase chain reaction. Rates of reaction for the toehold-polymerase chain reaction products (TPPs) with their corresponding complementary displacing sequences, labelled with a Black Hole Quencher 1, followed the order TPP–Cytosine > TPP–Thymine > TPP–Adenine ≥ TPP–Guanine. Non-complementary rates were the slowest with mismatches involving cytosine. These reactions, operating in a static/or contact mode, gave averaged readouts between SNPs within 15 min (with 80–90% quenching), compared to 25–30 min in previous studies involving fluorescence resonance energy transfer. Addition of an intercalating agent, ethidium bromide, retarded the rate of reaction in which cytosine was involved, presumably through stabilization of the base pairing, which resulted in markedly improved discrimination of cytosine containing SNPs. - Highlights: • Fluorophores and DNA intercalators effect the rate of toehold-mediated strand displacement. • Ethidium bromide had a destabilizing effect on mismatches that contained cytosine. • A cationic fluorophore and Black Hole Quencher 1 strand displacement system was 2–3 times faster than a FRET system. • This enabled SNP detection using toehold-mediated strand displacement in 15 min.

  9. Ge-intercalated graphene: The origin of the p-type to n-type transition

    KAUST Repository

    Kaloni, Thaneshwor P.

    2012-09-01

    Recently huge interest has been focussed on Ge-intercalated graphene. In order to address the effect of Ge on the electronic structure, we study Ge-intercalated free-standing C 6 and C 8 bilayer graphene, bulk C 6Ge and C 8Ge, as well as Ge-intercalated graphene on a SiC(0001) substrate, by density functional theory. In the presence of SiC(0001), there are three ways to obtain n-type graphene: i) intercalation between C layers; ii) intercalation at the interface to the substrate in combination with Ge deposition on the surface; and iii) cluster intercalation. All other configurations under study result in p-type states irrespective of the Ge coverage. We explain the origin of the different doping states and establish the conditions under which a transition occurs. © Copyright EPLA, 2012.

  10. White-tailed Deer as a Taphonomic Agent: Photographic Evidence of White-tailed Deer Gnawing on Human Bone.

    Science.gov (United States)

    Meckel, Lauren A; McDaneld, Chloe P; Wescott, Daniel J

    2018-01-01

    Ungulate gnawing on bone has been reported in the taphonomic and zooarchaeological literature, but there are no known reports of ungulates altering human remains. Herein, we report on the first known photographic evidence of deer gnawing human remains. As described in nonhuman scavenging literature, forking of the bone characterizes the taphonomic effect of deer gnawing in this case, which is distinct from the effect caused by other scavengers. This type of osteophagia during the winter season is consistent with previously documented behavior of deer gnawing on nonhuman bone, possibly to obtain minerals absent in their diet. In this study, we briefly discuss the distinguishing features of ungulate gnawing, the reasons for this behavior, and possible confusion with other common types of scavenging and modification. This report contributes to taphonomic literature covering the range of animal interactions with human skeletal remains. © 2017 American Academy of Forensic Sciences.

  11. Mechanism of Si intercalation in defective graphene on SiC

    KAUST Repository

    Kaloni, Thaneshwor P.

    2012-10-01

    Previously reported experimental findings on Si-intercalated graphene on SiC(0001) seem to indicate the possibility of an intercalation process based on the migration of the intercalant through atomic defects in the graphene sheet. We employ density functional theory to show that such a process is in fact feasible and obtain insight into its details. By means of total energy and nudged elastic band calculations we are able to establish the mechanism on an atomic level and to determine the driving forces involved in the different steps of the intercalation process through atomic defects.

  12. Physical and chemical studies of superconduction properties of the intercalation compounds

    International Nuclear Information System (INIS)

    Eder, F.X.; Lerf, A.

    1980-01-01

    The superconducting properties of the intercalation compounds of layered dichalcogenides were studied. Our studies were concerned mainly to the alkali metal intercalation derivatives of TaS 2 and NbS 2 , and later on extended to the molecule intercalation compounds. The main difficulties with this class of superconductors result from varying material properties; these are therefore the subject of broad intensity in our investigations. The results received on the physical and chemical properties of the intercalation compounds is utilized for a phenomenological description of the factors mainly determining there superconducting properties. (orig.) [de

  13. Tuning the Properties of Polymer Bulk Heterojunction Solar Cells by Adjusting Fullerene Size to Control Intercalation

    KAUST Repository

    Cates, Nichole C.

    2009-12-09

    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. © 2009 American Chemical Society.

  14. Adsorption of Phosphate Ion in Water with Lithium-Intercalated Gibbsite

    OpenAIRE

    Riwandi Sihombing; Yuni Krisyuningsih Krisnandi; Rahma Widya; Siti Zahrotul Luthfiyah; Rika Tri Yunarti

    2015-01-01

    In order to enhance adsorption capacity of gibbsite (Al(OH)3 as an adsorbent for the adsorption of phosphate in water, gibbsite was modified through lithium-intercalation. The purification method of Tributh and Lagaly was applied prior to intercalation. The Li-Intercalation was prepared by the dispersion of gibbsite into LiCl solution for 24 hours. This intercalation formed an cationic clay with the structure of [LiAl2(OH)6]+ and exchangeable Cl- anions in the gibbsite interlayer. A phosphate...

  15. Structural effects on the electronic characteristics of intramolecularly intercalated alkali-rubrene complexes

    Energy Technology Data Exchange (ETDEWEB)

    Li, Tsung-Lung, E-mail: quantum@mail.ncyu.edu.tw [Department of Electrophysics, National Chia-Yi University, 300 Hsueh-Fu Road, Chiayi, 60004, Taiwan, ROC (China); Lu, Wen-Cai, E-mail: wencailu@jlu.edu.cn [Laboratory of Fiber Materials and Modern Textile, Growing Base for State Key Laboratory, College of Physics, Qingdao University, Qingdao, Shandong 266071 (China); State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130021 (China)

    2016-11-01

    The geometric and electronic structures of neutral monolithium- and monosodium-rubrene (Li{sub 1} Rub and Na{sub 1} Rub) isomers are investigated and compared with monopotassium-rubrene (K{sub 1} Rub). Based on the alkali binding site, all isomers of these alkali-rubrene complexes can be subdivided into two types: intramolecularly intercalated and extramolecularly adsorbed. The minimum-energy Li{sub 1} Rub and Na{sub 1} Rub are intercalated structures, whereas the minimum-energy K{sub 1} Rub is adsorbed. The fact that the intercalated Li{sub 1} Rub and Na{sub 1} Rub structures are energetically favorable over the adsorbed ones can be explained by two energy rules. First, “double” proximity of the intercalating alkali element to a pair of phenyl side groups enormously reduces the total energy. Second, accommodation of a minuscule intercalant does not significantly deform the carbon frame and, thus, increases the energy only by a small amount. Additionally, the peculiar effects of intramolecular intercalation on the electronic structures of molecules are also studied in this simulation of monoalkali intercalation. In the monoalkali-intercalated rubrene complex, only one of the two pairs of phenyl groups of rubrene is intercalated, intentionally leaving another pair pristine, which facilitates the comparison of electronic structures between the intercalated and pristine pairs of phenyl side groups in a single molecule. The uniformity of chemical environments of the phenyl groups of the intercalated Li{sub 1} Rub/Na{sub 1} Rub is deteriorated by the incorporation of the intercalant, and leads to their spectral characteristics in contrast to K{sub 1} Rub. In particular, the introduction of the intercalant promotes the carbon 2p orbitals of the intercalated phenyl pair to take part in the electronic structures of the HOMO and LUMO peaks of Li{sub 1} Rub/Na{sub 1} Rub. The unpaired electron in the HOMO is delocalized over the backbone with higher probability of

  16. Structural effects on the electronic characteristics of intramolecularly intercalated alkali-rubrene complexes

    International Nuclear Information System (INIS)

    Li, Tsung-Lung; Lu, Wen-Cai

    2016-01-01

    The geometric and electronic structures of neutral monolithium- and monosodium-rubrene (Li 1 Rub and Na 1 Rub) isomers are investigated and compared with monopotassium-rubrene (K 1 Rub). Based on the alkali binding site, all isomers of these alkali-rubrene complexes can be subdivided into two types: intramolecularly intercalated and extramolecularly adsorbed. The minimum-energy Li 1 Rub and Na 1 Rub are intercalated structures, whereas the minimum-energy K 1 Rub is adsorbed. The fact that the intercalated Li 1 Rub and Na 1 Rub structures are energetically favorable over the adsorbed ones can be explained by two energy rules. First, “double” proximity of the intercalating alkali element to a pair of phenyl side groups enormously reduces the total energy. Second, accommodation of a minuscule intercalant does not significantly deform the carbon frame and, thus, increases the energy only by a small amount. Additionally, the peculiar effects of intramolecular intercalation on the electronic structures of molecules are also studied in this simulation of monoalkali intercalation. In the monoalkali-intercalated rubrene complex, only one of the two pairs of phenyl groups of rubrene is intercalated, intentionally leaving another pair pristine, which facilitates the comparison of electronic structures between the intercalated and pristine pairs of phenyl side groups in a single molecule. The uniformity of chemical environments of the phenyl groups of the intercalated Li 1 Rub/Na 1 Rub is deteriorated by the incorporation of the intercalant, and leads to their spectral characteristics in contrast to K 1 Rub. In particular, the introduction of the intercalant promotes the carbon 2p orbitals of the intercalated phenyl pair to take part in the electronic structures of the HOMO and LUMO peaks of Li 1 Rub/Na 1 Rub. The unpaired electron in the HOMO is delocalized over the backbone with higher probability of distributing over the central two fused rings than over the outer two

  17. Simultaneous intercalation and release of 2,4-dichloro- and 4-chloro-phenoxy acetates into Zn/Al layered double hydroxide

    Directory of Open Access Journals (Sweden)

    Abbas Matrod Bashi

    2016-11-01

    Full Text Available A new nanohybrid compound was formed by the concurrent insertion of 2,4-dichlorophenoxy acetate (DPA used as herbicides and 4-chlorophenoxy acetate (CPA as plant growth regulator, the two guest anions into the interlamellar space of the host Zn/Al layered double hydroxide (LDH using co-precipitation or spontaneous self-assembly method. Two different basal spacings of 2.54 and 1.97 nm were detected by PXRD of the nanohybrid accounting for the presence of two distinct intercalated phases. Direct insertion mass spectroscopy (DIMS analyses confirm that both anions are intercalated to give a biphasic well ordered nanohybrid material. The study of the release properties shows that both ions were released, but with different rates. This opens up the possibility of using such a biphasic nanohybrid for controlled release of more than one active anionic agent at different controlled rates.

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

    International Nuclear Information System (INIS)

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

    1994-01-01

    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

  19. Antiferro quadrupolar ordering in Fe intercalated few layers graphene

    Directory of Open Access Journals (Sweden)

    Abu Jahid Akhtar

    2013-07-01

    Full Text Available The π electron cloud above and below the honeycomb structure of graphene causes each carbon atom to carry a permanent electric quadrupole moment which can attach any cation to impart interesting physical properties. We have synthesized Fe intercalated graphene structures to investigate tunable magnetic properties as a result of this chemical modification. An interesting antiferro quadrupolar ordering is observed which arises due to a coupling between magnetic dipole moment of Fe and electric quadrupole moment on graphene surface. In contrast to antiferromagnetic Neel temperature (TN, here the ordering temperature (TQ increases from 35.5 K to 47.5 K as the magnetic field is raised upto 1 Tesla.

  20. Sorption of cobalt on organic and inorganic intercalated clays

    International Nuclear Information System (INIS)

    Nava-Galve, G.; Pacheco, G.; Fetter, G.; Bulbulian, S.

    1996-01-01

    A Mexican montmorillonite clay was intercalated on the one hand with aluminium or zirconium polyhydroxications, and on the other with two organic compounds. Radioactive cobalt was used to study the Co 2+ sorption curves in the original and pillared clays. It was found that pillaring in general in does not favour the diffusion of cobalt between the layers specially the organic pillared clays. In equilibrium, the cobalt retention reached the highest level, around 0.7 meq/g in the Zr pillared clay. (author). 8 refs., 7 figs., 3 tabs

  1. DNA intercalator stimulates influenza transcription and virus replication

    Directory of Open Access Journals (Sweden)

    Poon Leo LM

    2011-03-01

    Full Text Available Abstract Influenza A virus uses its host transcription machinery to facilitate viral RNA synthesis, an event that is associated with cellular RNA polymerase II (RNAPII. In this study, various RNAPII transcription inhibitors were used to investigate the effect of RNAPII phosphorylation status on viral RNA transcription. A low concentration of DNA intercalators, such as actinomycin D (ActD, was found to stimulate viral polymerase activity and virus replication. This effect was not observed in cells treated with RNAPII kinase inhibitors. In addition, the loss of RNAPIIa in infected cells was due to the shift of nonphosphorylated RNAPII (RNAPIIa to hyperphosphorylated RNAPII (RNAPIIo.

  2. Endogenous retinoic acid activity in principal cells and intercalated cells of mouse collecting duct system.

    Directory of Open Access Journals (Sweden)

    Yuen Fei Wong

    2011-02-01

    Full Text Available Retinoic acid is the bioactive derivative of vitamin A, which plays an indispensible role in kidney development by activating retinoic acid receptors. Although the location, concentration and roles of endogenous retinoic acid in post-natal kidneys are poorly defined, there is accumulating evidence linking post-natal vitamin A deficiency to impaired renal concentrating and acidifying capacity associated with increased susceptibility to urolithiasis, renal inflammation and scarring. The aim of this study is to examine the presence and the detailed localization of endogenous retinoic acid activity in neonatal, young and adult mouse kidneys, to establish a fundamental ground for further research into potential target genes, as well as physiological and pathophysiological roles of endogenous retinoic acid in the post-natal kidneys.RARE-hsp68-lacZ transgenic mice were employed as a reporter for endogenous retinoic acid activity that was determined by X-gal assay and immunostaining of the reporter gene product, β-galactosidase. Double immunostaining was performed for β-galactosidase and markers of kidney tubules to localize retinoic acid activity. Distinct pattern of retinoic acid activity was observed in kidneys, which is higher in neonatal and 1- to 3-week-old mice than that in 5- and 8-week-old mice. The activity was present specifically in the principal cells and the intercalated cells of the collecting duct system in all age groups, but was absent from the glomeruli, proximal tubules, thin limbs of Henle's loop and distal tubules.Endogenous retinoic acid activity exists in principal cells and intercalated cells of the mouse collecting duct system after birth and persists into adulthood. This observation provides novel insights into potential roles for endogenous retinoic acid beyond nephrogenesis and warrants further studies to investigate target genes and functions of endogenous retinoic acid in the kidney after birth, particularly in the

  3. Staging properties of potassium-ammonia ternary graphite intercalation compounds at high ammonia pressure

    Science.gov (United States)

    Qian, X. W.; Solin, S. A.

    1989-04-01

    The pressure dependence of the (00l) x-ray diffraction patterns of the ternary graphite intercalation compound K(NH3)xC24 has been studied in the range 0.5-11 kbar (for which x~4.5) using a diamond anvil cell. A special apparatus for loading the cell with liquid ammonia at room temperature has been constructed and is briefly described. In these experiments, the pressure-transmitting fluid was also an intercalant, namely ammonia. Therefore, the chemical potential of this species was linearly coupled to the applied pressure in contrast to the usual case where the pressure-transmitting fluid is chemically passive. The pressure dependences of the basal spacings and of the relative intensities of key reflections have been measured, as have the compressibilities of the stage-1 and stage-2 components of the two-phase system. Basal-spacing anomalies and anomalies in the relative intensities occur at pressures of ~3.5 and 8.0 kbar and are tentatively attributed to in-plane coordination changes in the potassium-ammonia ratio. Using thermodynamic arguments and Le Chatelier's principle we show quantitatively that a staging phase transition from pure stage-1 phase to an admixture of stage-1 and stage-2 is expected with increased pressure above 10 bar in agreement with experiment. The saturation ammonia compositions (x values) of the admixed stages are found to be 4.5 and 5.4 for the stage-1 and -2 components, respectively. This result is interpreted as evidence that the composition is not sterically limited but is determined by the binding energy of ammonia for potassium and by the perturbation to this energy from the guest-host interaction.

  4. Tunable Broadband Nanocarbon Transparent Conductor by Electrochemical Intercalation.

    Science.gov (United States)

    Wan, Jiayu; Xu, Yue; Ozdemir, Burak; Xu, Lisha; Sushkov, Andrei B; Yang, Zhi; Yang, Bao; Drew, Dennis; Barone, Veronica; Hu, Liangbing

    2017-01-24

    Optical transparent and electrical conducting materials with broadband transmission are important for many applications in optoelectronic, telecommunications, and military devices. However, studies of broadband transparent conductors and their controlled modulation are scarce. In this study, we report that reversible transmittance modulation has been achieved with sandwiched nanocarbon thin films (containing carbon nanotubes (CNTs) and reduced graphene oxide (rGO)) via electrochemical alkali-ion intercalation/deintercalation. The transmittance modulation covers a broad range from the visible (450 nm) to the infrared (5 μm), which can be achieved only by rGO rather than pristine graphene films. The large broadband transmittance modulation is understood with DFT calculations, which suggest a decrease in interband transitions in the visible range as well as a reduced reflection in the IR range upon intercalation. We find that a larger interlayer distance in few-layer rGO results in a significant increase in transparency in the infrared region of the spectrum, in agreement with experimental results. Furthermore, a reduced plasma frequency in rGO compared to few-layer graphene is also important to understand the experimental results for broadband transparency in rGO. The broadband transmittance modulation of the CNT/rGO/CNT systems can potentially lead to electrochromic and thermal camouflage applications.

  5. Electron Beam Irradiated Intercalated CNT Yarns For Aerospace Applications

    Science.gov (United States)

    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.

  6. Resistivity of pristine and intercalated graphite fiber epoxy composites

    Science.gov (United States)

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

    1991-01-01

    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.

  7. Controlling Water Intercalation Is Key to a Direct Graphene Transfer.

    Science.gov (United States)

    Verguts, Ken; Schouteden, Koen; Wu, Cheng-Han; Peters, Lisanne; Vrancken, Nandi; Wu, Xiangyu; Li, Zhe; Erkens, Maksiem; Porret, Clement; Huyghebaert, Cedric; Van Haesendonck, Chris; De Gendt, Stefan; Brems, Steven

    2017-10-25

    The key steps of a transfer of two-dimensional (2D) materials are the delamination of the as-grown material from a growth substrate and the lamination of the 2D material on a target substrate. In state-of-the-art transfer experiments, these steps remain very challenging, and transfer variations often result in unreliable 2D material properties. Here, it is demonstrated that interfacial water can insert between graphene and its growth substrate despite the hydrophobic behavior of graphene. It is understood that interfacial water is essential for an electrochemistry-based graphene delamination from a Pt surface. Additionally, the lamination of graphene to a target wafer is hindered by intercalation effects, which can even result in graphene delamination from the target wafer. For circumvention of these issues, a direct, support-free graphene transfer process is demonstrated, which relies on the formation of interfacial water between graphene and its growth surface, while avoiding water intercalation between graphene and the target wafer by using hydrophobic silane layers on the target wafer. The proposed direct graphene transfer also avoids polymer contamination (no temporary support layer) and eliminates the need for etching of the catalyst metal. Therefore, recycling of the growth template becomes feasible. The proposed transfer process might even open the door for the suggested atomic-scale interlocking-toy-brick-based stacking of different 2D materials, which will enable a more reliable fabrication of van der Waals heterostructure-based devices and applications.

  8. Transition Metal Intercalators as Anticancer Agents—Recent Advances

    Directory of Open Access Journals (Sweden)

    Krishant M. Deo

    2016-10-01

    Full Text Available The diverse anticancer utility of cisplatin has stimulated significant interest in the development of additional platinum-based therapies, resulting in several analogues receiving clinical approval worldwide. However, due to structural and mechanistic similarities, the effectiveness of platinum-based therapies is countered by severe side-effects, narrow spectrum of activity and the development of resistance. Nonetheless, metal complexes offer unique characteristics and exceptional versatility, with the ability to alter their pharmacology through facile modifications of geometry and coordination number. This has prompted the search for metal-based complexes with distinctly different structural motifs and non-covalent modes of binding with a primary aim of circumventing current clinical limitations. This review discusses recent advances in platinum and other transition metal-based complexes with mechanisms of action involving intercalation. This mode of DNA binding is distinct from cisplatin and its derivatives. The metals focused on in this review include Pt, Ru and Cu along with examples of Au, Ni, Zn and Fe complexes; these complexes are capable of DNA intercalation and are highly biologically active.

  9. Transition Metal Intercalators as Anticancer Agents—Recent Advances

    Science.gov (United States)

    Deo, Krishant M.; Pages, Benjamin J.; Ang, Dale L.; Gordon, Christopher P.; Aldrich-Wright, Janice R.

    2016-01-01

    The diverse anticancer utility of cisplatin has stimulated significant interest in the development of additional platinum-based therapies, resulting in several analogues receiving clinical approval worldwide. However, due to structural and mechanistic similarities, the effectiveness of platinum-based therapies is countered by severe side-effects, narrow spectrum of activity and the development of resistance. Nonetheless, metal complexes offer unique characteristics and exceptional versatility, with the ability to alter their pharmacology through facile modifications of geometry and coordination number. This has prompted the search for metal-based complexes with distinctly different structural motifs and non-covalent modes of binding with a primary aim of circumventing current clinical limitations. This review discusses recent advances in platinum and other transition metal-based complexes with mechanisms of action involving intercalation. This mode of DNA binding is distinct from cisplatin and its derivatives. The metals focused on in this review include Pt, Ru and Cu along with examples of Au, Ni, Zn and Fe complexes; these complexes are capable of DNA intercalation and are highly biologically active. PMID:27809241

  10. Sulfuric Acid Intercalated Graphite Oxide for Graphene Preparation

    Science.gov (United States)

    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

  11. Microscopic physical and chemical properties of graphite intercalation compounds

    Energy Technology Data Exchange (ETDEWEB)

    Eklund, P.C.

    1992-08-24

    Optical spectroscopy (Raman, FTIR and Reflection ) was used to study a variety of acceptor- and donor-type compounds synthesized to determine the microscopic models consistent with the spectrocsopic results. General finding is that the electrical conduction properties of these compounds can be understood on the basis that the intercalation of atomic and/or molecular species between the host graphite layers either raises or lowers the Fermi level (E{sub F)} in a graphitic band structure. This movement of E{sub F} is accomplished via a charge transfer of electrons from the intercalate layers to the graphitic layers (donor compounds), or vice versa (acceptor compounds). Furthermore, the band structure must be modified to take into account the layers of charge that occur as a result of the charge transfer. This charge layering introduces additional bands of states near E{sub F}, which are discussed. Charge-transfer also induces a perturbation of the graphitic normal mode frequencies which can be understood as the result of a contraction (acceptor compounds) or expansion (donor compounds) of the intralayer C-C bonds. Ab-initio calculations support this view and are in reasonable agreement with experimental data.

  12. Intercalation Study of Low-Molecular-Weight Hyperbranched Polyethyleneimine into Graphite Oxide

    NARCIS (Netherlands)

    Tsoufis, Theodoros; Katsaros, Fotios; Sideratou, Zili; Kooi, Bart J.; Karakassides, Michael. A.; Siozios, Anastasios

    2014-01-01

    We report for the first time the intercalation of low-molecular-weight hyperbranched polyethyleneimine (PEI) into graphite oxide (GO) for the facile, bulk synthesis of novel graphene-based hybrid (GO-PEI) materials exhibiting tailored interlayer galleries. The size of the intercalant as well as the

  13. Thermoelectric Properties of Li-Intercalated ZrSe2 Single Crystals

    DEFF Research Database (Denmark)

    Holgate, Tim; Liu, Yufei; Hitchcock, Dale

    2013-01-01

    transport method, followed by a wet-chemistry lithium intercalation process. The results of resistivity, thermopower, and thermal conductivity measurements between 10 K and 300 K show that Li intercalation induced additional charge carriers and structural disorder that favorably affected the thermoelectric...

  14. Intercalation of alcohols in Ag sulfonates: topotactic behavior despite flexible layers.

    Science.gov (United States)

    Côté, Adrien P; Ferguson, Michael J; Khan, Kashif A; Enright, Gary D; Kulynych, Angela D; Dalrymple, Sean A; Shimizu, George K H

    2002-01-28

    This article presents the inaugural intercalation study of a layered metal sulfonate network. Silver triflate forms intercalation complexes with straight chain primary alcohols from ethanol (C(2)H(5)OH) to eicosanol (C(20)H(41)OH). Single-crystal data for the EtOH adduct, 1, are presented which show that the intercalation is coordinative to Ag. In contrast to many other layered hosts, no preheating of Ag triflate is required to liberate a coordination site for intercalation to take place, owing to the ability of the triflate ion to reorient. Crystal structure parameters for 1: C(4)H(6)F(6)S(2)O(7)Ag(2), a = 5.345(7) A, b = 11.310(2) A, c = 12.004(2) A, alpha = 116.87(1) degrees, beta = 90.46(1) degrees, gamma = 99.59(1) degrees, triclinic, space group P, Z = 2. Intercalate 1 presents the triflate ion in an unprecedented mu(5)-coordination mode. PXRD data on the family of complexes show that the intercalation is topotactic, as verified by the linear increase in d-spacing and calculated c-axis lengths for the intercalates, with increasing chain length. The data also show that the alcohol intercalates adopt an interdigitated rather than bilayer arrangement.

  15. Impedance Simulation of a Li-Ion Battery with Porous Electrodes and Spherical Li+ Intercalation Particles

    NARCIS (Netherlands)

    Huang, R.W.J.M.; Chung, F.; Kelder, E.M.

    2006-01-01

    We present a semimathematical model for the simulation of the impedance spectra of a rechargeable lithium batteries consisting of porous electrodes with spherical Li+ intercalation particles. The particles are considered to have two distinct homogeneous phases as a result of the intercalation and

  16. Effectiveness of Co intercalation between Graphene and Ir(1 1 1)

    Science.gov (United States)

    Carlomagno, I.; Drnec, J.; Scaparro, A. M.; Cicia, S.; Mobilio, S.; Felici, R.; Meneghini, C.

    2018-04-01

    Graphene can be used to avoid the oxidation of metallic films. This work explores the effectiveness of such stabilizing effect on Cobalt (Co) films intercalated between Graphene and Ir(1 1 1). After intercalation at 300 °C, two Co films are exposed to ambient pressure and investigated using Co-K edge X-ray Absorption Near Edge Spectroscopy. The formation of a disordered oxide phase is observed, and associated to the presence of some non-intercalated Co. Further annealing at 500 °C causes the oxide reduction to metallic Co which further intercalates below the Graphene. Once the intercalation is completed, Graphene prevents the Co from oxidation under ambient pressure conditions.

  17. Atomic force microscopy study of anion intercalation into highly oriented pyrolytic graphite

    Energy Technology Data Exchange (ETDEWEB)

    Alliata, D.; Haering, P.; Haas, O.; Koetz, R. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Siegenthaler, H. [University of Berne (Switzerland)

    1999-08-01

    In the context of ion transfer batteries, we studied highly oriented pyrolytic graphite (HOPG) in perchloric acid, as a model to elucidate the mechanism of electrochemical intercalation in graphite. Aim of the work is the local and time dependent investigation of dimensional changes of the host material during electrochemical intercalation processes on the nanometer scale. We used atomic force microscopy (AFM), combined with cyclic voltammetry, as in-situ tool of analysis during intercalation and expulsion of perchloric anions into the HOPG electrodes. According to the AFM measurements, the HOPG interlayer spacing increases by 32% when perchloric anions intercalate, in agreement with the formation of stage IV of graphite intercalation compounds. (author) 3 figs., 3 refs.

  18. First-Principles Study of Lithium and Sodium Atoms Intercalation in Fluorinated Graphite

    Directory of Open Access Journals (Sweden)

    Fengya Rao

    2015-06-01

    Full Text Available The structure evolution of fluorinated graphite (CFx upon the Li/Na intercalation has been studied by first-principles calculations. The Li/Na adsorption on single CF layer and intercalated into bulk CF have been calculated. The better cycling performance of Na intercalation into the CF cathode, comparing to that of Li intercalation, is attributed to the different strength and characteristics of the Li-F and Na-F interactions. The interactions between Li and F are stronger and more localized than those between Na and F. The strong and localized Coulomb attraction between Li and F atoms breaks the C−F bonds and pulls the F atoms away, and graphene sheets are formed upon Li intercalation.

  19. Dynamics of Intercalation/De-Intercalation of Rhodamine B during the Polymorphic Transformation of CdAl Layered Double Hydroxide to the Brucite-Like Cadmium Hydroxide

    KAUST Repository

    Saliba, Daniel

    2016-06-23

    Cadmium-Aluminum layered double hydroxide (CdAl LDH) is thermodynamically unstable and transforms to Cd(OH)2 and Al(OH)3 in a short period of time. We present a reaction-diffusion framework that enables us to use in situ steady-state fluorescence spectroscopy to study the kinetics of intercalation of a fluorescent probe (Rhodamine B (RhB)) during the formation of the CdAl LDH and its de-intercalation upon the conversion of the LDH phase to the β phase (Cd(OH)2). The method involves the diffusion of sodium hydroxide into a hydrogel gel matrix containing the aluminum and cadmium ions as well as the species we wish to incorporate in the interlayers of the LDH. The existence of RhB between the LDH layers and its expel during the transition into the β phase are proved via fluorescence microscopy, XRD and ssNMR. The activation energies of intercalation and de-intercalation of RhB are computed and show dependence on the cationic ratio of the corresponding LDH. We find that the energies of de- intercalation are systematically higher than those of intercalation proving that the dyes are stabilized due to the probe-brucite sheets interactions.

  20. Reshaping the Energy Landscape Transforms the Mechanism and Binding Kinetics of DNA Threading Intercalation.

    Science.gov (United States)

    Clark, Andrew G; Naufer, M Nabuan; Westerlund, Fredrik; Lincoln, Per; Rouzina, Ioulia; Paramanathan, Thayaparan; Williams, Mark C

    2018-02-06

    Molecules that bind DNA via threading intercalation show high binding affinity as well as slow dissociation kinetics, properties ideal for the development of anticancer drugs. To this end, it is critical to identify the specific molecular characteristics of threading intercalators that result in optimal DNA interactions. Using single-molecule techniques, we quantify the binding of a small metal-organic ruthenium threading intercalator (Δ,Δ-B) and compare its binding characteristics to a similar molecule with significantly larger threading moieties (Δ,Δ-P). The binding affinities of the two molecules are the same, while comparison of the binding kinetics reveals significantly faster kinetics for Δ,Δ-B. However, the kinetics is still much slower than that observed for conventional intercalators. Comparison of the two threading intercalators shows that the binding affinity is modulated independently by the intercalating section and the binding kinetics is modulated by the threading moiety. In order to thread DNA, Δ,Δ-P requires a "lock mechanism", in which a large length increase of the DNA duplex is required for both association and dissociation. In contrast, measurements of the force-dependent binding kinetics show that Δ,Δ-B requires a large DNA length increase for association but no length increase for dissociation from DNA. This contrasts strongly with conventional intercalators, for which almost no DNA length change is required for association but a large DNA length change must occur for dissociation. This result illustrates the fundamentally different mechanism of threading intercalation compared with conventional intercalation and will pave the way for the rational design of therapeutic drugs based on DNA threading intercalation.

  1. Electrochemical Techniques for Intercalation Electrode Materials in Rechargeable Batteries.

    Science.gov (United States)

    Zhu, Yujie; Gao, Tao; Fan, Xiulin; Han, Fudong; Wang, Chunsheng

    2017-04-18

    Understanding of the thermodynamic and kinetic properties of electrode materials is of great importance to develop new materials for high performance rechargeable batteries. Compared with computational understanding of physical and chemical properties of electrode materials, experimental methods provide direct and convenient evaluation of these properties. Often, the information gained from experimental work can not only offer feedback for the computational methods but also provide useful insights for improving the performance of materials. However, accurate experimental quantification of some properties can still be challenging. Among them, chemical diffusion coefficient is one representative example. It is one of the most crucial parameters determining the kinetics of intercalation compounds, which are by far the dominant electrode type used in rechargeable batteries. Therefore, it is of significance to quantitatively evaluate this parameter. For this purpose, various electrochemical techniques have been invented, for example, galvanostatic intermittent titration technique (GITT), potentiostatic intermittent titration technique (PITT), electrochemical impedance spectroscopy (EIS), and cyclic voltammetry (CV). One salient advantage of these electrochemical techniques over other characterization techniques is that some implicit thermodynamic and kinetic quantities can be linked with the readily measurable electrical signals, current, and voltage, with very high precision. Nevertheless, proper application of these techniques requires not just an understanding of the structure and chemistry of the studied materials but sufficient knowledge of the physical model for ion transport within solid host materials and the analysis method to solve for chemical diffusion coefficient. Our group has been focusing on using various electrochemical techniques to investigate battery materials, as well as developing models for studying some emerging materials. In this Account, the

  2. Field and laboratory evidence that Bungowannah virus, a recently recognised pestivirus, is the causative agent of the porcine myocarditis syndrome (PMC).

    Science.gov (United States)

    Finlaison, Deborah S; King, Katherine R; Frost, Melinda J; Kirkland, Peter D

    2009-05-12

    In 2003 an outbreak of sudden deaths occurred in 2-3-week-old piglets on a piggery in New South Wales, Australia. There was a marked increase in the birth of stillborn piglets and preweaning losses associated with a multifocal non-suppurative myocarditis with myonecrosis. The aim of this study was to review existing data and to undertake further investigations of specimens from naturally infected pigs to provide evidence to support the hypothesis that Bungowannah virus, a recently recognised pestivirus, causes the porcine myocarditis syndrome (PMC). Sera collected from gilts and sows from affected and unaffected units were tested for Bungowannah virus antibody by a peroxidase-linked assay and Bungowannah virus RNA by qRT-PCR in selected cases. Stillborn piglets from affected and an unaffected unit were also tested for Bungowannah virus antibody and RNA. Body fluid IgG levels and the incidence of myocardial lesions in these stillborn piglets are summarised. Tissue sections from stillborn piglets with myocarditis/myonecrosis were examined for Bungowannah virus RNA by in situ hybridisation. A clear temporal association between the occurrence of PMC on a unit or module and exposure to Bungowannah virus was identified by serological tests in both breeding aged animals and stillborn pigs. In addition, at the individual animal level on affected units, Bungowannah virus RNA was detected in stillborn piglets in large amounts by qRT-PCR and in association with myocardial lesions by in situ hybridisation. The examination of field material from cases of PMC by serology, qRT-PCR and in situ hybridisation provides strong indirect evidence that Bungowannah virus is the causative agent for PMC.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    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.

  4. Tuning thermal conductivity in molybdenum disulfide by electrochemical intercalation

    Science.gov (United States)

    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

  5. Tunnelling of hydrogen in alkali metal intercalation compounds

    Science.gov (United States)

    Beaufils, J. P.; Crowley, T.; Rayment, T.; Thomas, R. K.; White, J. W.

    Rotational tunnelling spectroscopy for hydrogen absorbed in the second stage graphite intercalation compounds C24M(H2)x where M = Rb and Cs, 0·5 < x < 2 is reported in the energy range 100 μeV < ΔE < 1400 μeV (0·8 cm-1 ˜ 11 cm-1). Two distinct sites, A and B, for the hydrogen uptake can be deduced from the spectra which are consistent with site symmetries A, tetrahedral; B octahedral. The spectra of HD calculated using the crystal field parameters for H2 agree well with measurements and indicate molecular motion about the molecular centre of mass rather than the bond centre. The sites can be preferentially blocked by co-absorbing deuterium or methane. The tunnelling spectra disappear in the temperature range 90 K < T < 150 K becoming broader with the simultaneous appearance of quasielastic scattering.

  6. Tuning thermal conductivity in molybdenum disulfide by electrochemical intercalation.

    Science.gov (United States)

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

    2016-10-21

    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.

  7. Thermal decomposition of cesium-ethylene-ternary graphite intercalation compounds

    International Nuclear Information System (INIS)

    Matsumoto, R.; Oishi, Y.; Arii, T.

    2010-01-01

    In this paper, the thermal decomposition of air-stable Cs-ethylene-ternary graphite intercalation compounds (GICs) is discussed. The air stability of Cs-GICs is improved remarkably after the absorption of ethylene into their interlayer nanospace, because the ethylene molecules oligomerize and block the movement of Cs atoms. In addition, the evaporation of Cs atoms from the Cs-ethylene-ternary GICs is observed above 400 o C under a N 2 atmosphere of 100 Pa by ion attachment mass spectrometry. Although the results indicate that Cs-ethylene-ternary GICs remain stable up to approximately 400 o C, their thermal stability is not very high as compared to that of Cs-GICs.

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

    International Nuclear Information System (INIS)

    Pešić, J; Gajić, R

    2014-01-01

    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

  9. Phosphate removal from water using lithium intercalated gibbsite

    International Nuclear Information System (INIS)

    Wang, S.-L.; Cheng, C.-Y.; Tzou, Y.-M.; Liaw, R.-B.; Chang, T.-W.; Chen, J.-H.

    2007-01-01

    In this study, lithium intercalated gibbsite (LIG) was investigated for its effectiveness at removing phosphate from water and the mechanisms involved. LIG was prepared through intercalating LiCl into gibbsite giving a structure of [LiAl 2 (OH) 6 ] + layers with interlayer Cl - and water. The results of batch adsorption experiments showed that the adsorption isotherms at various pHs exhibited an L-shape and could be fitted well using the Langmuir model. The Langmuir adsorption maximum was determined to be 3.0 mmol g -1 at pH 4.5 and decreased with increasing pH. The adsorption of phosphate was mainly through the displacement of the interlayer Cl - ions in LIG. In conjunction with the anion exchange reaction, the formation of surface complexes or precipitates could also readily occur at lower pH. The adsorption decreased with increasing pH due to decreased H 2 PO 4 - /HPO 4 2- molar ratio in solution and positive charges on the edge faces of LIG. Anion exchange is a fast reaction and can be completed within minutes; on the contrary, surface complexation is a slow process and requires days to reach equilibrium. At lower pH, the amount of adsorbed phosphate decreased significantly as the ionic strength was increased from 0.01 to 0.1 M. The adsorption at higher pH showed high selectivity toward divalent HPO 4 2- ions with an increase in ionic strength having no considerable effect on the phosphate adsorption. These results suggest that LIG may be an effective scavenger for removal of phosphate from water

  10. Phosphate removal from water using lithium intercalated gibbsite.

    Science.gov (United States)

    Wang, Shan-Li; Cheng, Chia-Yi; Tzou, Yu-Min; Liaw, Ren-Bao; Chang, Ta-Wei; Chen, Jen-Hshuan

    2007-08-17

    In this study, lithium intercalated gibbsite (LIG) was investigated for its effectiveness at removing phosphate from water and the mechanisms involved. LIG was prepared through intercalating LiCl into gibbsite giving a structure of [LiAl2(OH)6]+ layers with interlayer Cl- and water. The results of batch adsorption experiments showed that the adsorption isotherms at various pHs exhibited an L-shape and could be fitted well using the Langmuir model. The Langmuir adsorption maximum was determined to be 3.0 mmol g(-1) at pH 4.5 and decreased with increasing pH. The adsorption of phosphate was mainly through the displacement of the interlayer Cl- ions in LIG. In conjunction with the anion exchange reaction, the formation of surface complexes or precipitates could also readily occur at lower pH. The adsorption decreased with increasing pH due to decreased H(2)PO(4)(-)/HPO4(2-) molar ratio in solution and positive charges on the edge faces of LIG. Anion exchange is a fast reaction and can be completed within minutes; on the contrary, surface complexation is a slow process and requires days to reach equilibrium. At lower pH, the amount of adsorbed phosphate decreased significantly as the ionic strength was increased from 0.01 to 0.1M. The adsorption at higher pH showed high selectivity toward divalent HPO4(2-) ions with an increase in ionic strength having no considerable effect on the phosphate adsorption. These results suggest that LIG may be an effective scavenger for removal of phosphate from water.

  11. Gold intercalation of boron-doped graphene on Ni(111): XPS and DFT study.

    Science.gov (United States)

    Zhao, W; Gebhardt, J; Gotterbarm, K; Höfert, O; Gleichweit, C; Papp, C; Görling, A; Steinrück, H-P

    2013-11-06

    The intercalation of a graphene layer adsorbed on a metal surface by gold or other metals is a standard procedure. While it was previously shown that pristine, i.e., undoped, and nitrogen-doped graphene sheets can be decoupled from a nickel substrate by intercalation with gold atoms in order to produce quasi-free-standing graphene, we find the gold intercalation behavior for boron-doped graphene on a Ni(111) surface to be more complex: for low boron contents (2-5%) in the graphene lattice only partial gold intercalation occurs and for higher boron contents (up to 20%) no intercalation is observed. In order to understand this different behavior, a density functional theory investigation is carried out, comparing undoped as well as substitutional nitrogen- and boron-doped graphene on Ni(111). We identify the stronger binding of the boron atoms to the nickel substrate as the factor responsible for the different intercalation behavior in the case of boron doping. However, the calculations predict that this energetic effect prevents the intercalation process only for large boron concentrations and that it can be overcome for smaller boron coverages, in line with our x-ray photoelectron spectroscopy experiments.

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

    Energy Technology Data Exchange (ETDEWEB)

    Martins, Marcel G.; Martins, Daniel O.T.A.; Carvalho, Beatriz L.C. de [Instituto de Química, Universidade Federal Fluminense, Niterói, RJ 24.020–150 (Brazil); Mercante, Luiza A. [Laboratório Nacional de Nanotecnologia para o Agronegócio (LNNA), Embrapa Instrumentação, São Carlos, SP 13560 970 (Brazil); Soriano, Stéphane [Instituto de Física, Universidade Federal Fluminense, Niterói, RJ 24.210 346 (Brazil); Andruh, Marius [Inorganic Chemistry Laboratory, Faculty of Chemistry, University of Bucharest, Str. Dumbrava Rosie nr. 23, Bucharest (Romania); Vieira, Méri D., E-mail: gqimeri@vm.uff.br [Instituto de Química, Universidade Federal Fluminense, Niterói, RJ 24.020–150 (Brazil); Vaz, Maria G.F., E-mail: mariavaz@vm.uff.br [Instituto de Química, Universidade Federal Fluminense, Niterói, RJ 24.020–150 (Brazil)

    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.

  13. Nano-scaled top-down of bismuth chalcogenides based on electrochemical lithium intercalation

    International Nuclear Information System (INIS)

    Chen Jikun; Zhu Yingjie; Chen Nuofu; Liu Xinling; Sun Zhengliang; Huang Zhenghong; Kang Feiyu; Gao Qiuming; Jiang Jun; Chen Lidong

    2011-01-01

    A two-step method has been used to fabricate nano-particles of layer-structured bismuth chalcogenide compounds, including Bi 2 Te 3 , Bi 2 Se 3 , and Bi 2 Se 0.3 Te 2.7 , through a nano-scaled top-down route. In the first step, lithium (Li) atoms are intercalated between the van der Waals bonded quintuple layers of bismuth chalcogenide compounds by controllable electrochemical process inside self-designed lithium ion batteries. And in the second step, the Li intercalated bismuth chalcogenides are subsequently exposed to ethanol, in which process the intercalated Li atoms would explode like atom-scaled bombs to exfoliate original microscaled powder into nano-scaled particles with size around 10 nm. The influence of lithium intercalation speed and amount to three types of bismuth chalcogenide compounds are compared and the optimized intercalation conditions are explored. As to maintain the phase purity of the final nano-particle product, the intercalation lithium amount should be well controlled in Se contained bismuth chalcogenide compounds. Besides, compared with binary bismuth chalcogenide compound, lower lithium intercalation speed should be applied in ternary bismuth chalcogenide compound.

  14. Non-directional radial intercalation dominates deep cell behavior during zebrafish epiboly

    Directory of Open Access Journals (Sweden)

    Robert Bensch

    2013-06-01

    Epiboly is the first coordinated cell movement in most vertebrates and marks the onset of gastrulation. During zebrafish epiboly, enveloping layer (EVL and deep cells spread over the vegetal yolk mass with a concomitant thinning of the deep cell layer. A prevailing model suggests that deep cell radial intercalations directed towards the EVL would drive deep cell epiboly. To test this model, we have globally recorded 3D cell trajectories for zebrafish blastomeres between sphere and 50% epiboly stages, and developed an image analysis framework to determine intercalation events, intercalation directionality, and migration speed for cells at specific positions within the embryo. This framework uses Voronoi diagrams to compute cell-to-cell contact areas, defines a feature-based spatio-temporal model for intercalation events and fits an anatomical coordinate system to the recorded datasets. We further investigate whether epiboly defects in MZspg mutant embryos devoid of Pou5f1/Oct4 may be caused by changes in intercalation behavior. In wild-type and mutant embryos, intercalations orthogonal to the EVL occur with no directional bias towards or away from the EVL, suggesting that there are no directional cues that would direct intercalations towards the EVL. Further, we find that intercalation direction is independent of the previous intercalation history of individual deep cells, arguing against cues that would program specific intrinsic directed migration behaviors. Our data support a dynamic model in which deep cells during epiboly migrate into space opening between the EVL and the yolk syncytial layer. Genetic programs determining cell motility may control deep cell dynamic behavior and epiboly progress.

  15. Non-directional radial intercalation dominates deep cell behavior during zebrafish epiboly.

    Science.gov (United States)

    Bensch, Robert; Song, Sungmin; Ronneberger, Olaf; Driever, Wolfgang

    2013-08-15

    Epiboly is the first coordinated cell movement in most vertebrates and marks the onset of gastrulation. During zebrafish epiboly, enveloping layer (EVL) and deep cells spread over the vegetal yolk mass with a concomitant thinning of the deep cell layer. A prevailing model suggests that deep cell radial intercalations directed towards the EVL would drive deep cell epiboly. To test this model, we have globally recorded 3D cell trajectories for zebrafish blastomeres between sphere and 50% epiboly stages, and developed an image analysis framework to determine intercalation events, intercalation directionality, and migration speed for cells at specific positions within the embryo. This framework uses Voronoi diagrams to compute cell-to-cell contact areas, defines a feature-based spatio-temporal model for intercalation events and fits an anatomical coordinate system to the recorded datasets. We further investigate whether epiboly defects in MZspg mutant embryos devoid of Pou5f1/Oct4 may be caused by changes in intercalation behavior. In wild-type and mutant embryos, intercalations orthogonal to the EVL occur with no directional bias towards or away from the EVL, suggesting that there are no directional cues that would direct intercalations towards the EVL. Further, we find that intercalation direction is independent of the previous intercalation history of individual deep cells, arguing against cues that would program specific intrinsic directed migration behaviors. Our data support a dynamic model in which deep cells during epiboly migrate into space opening between the EVL and the yolk syncytial layer. Genetic programs determining cell motility may control deep cell dynamic behavior and epiboly progress.

  16. Moral actor, selfish agent.

    Science.gov (United States)

    Frimer, Jeremy A; Schaefer, Nicola K; Oakes, Harrison

    2014-05-01

    People are motivated to behave selfishly while appearing moral. This tension gives rise to 2 divergently motivated selves. The actor-the watched self-tends to be moral; the agent-the self as executor-tends to be selfish. Three studies present direct evidence of the actor's and agent's distinct motives. To recruit the self-as-actor, we asked people to rate the importance of various goals. To recruit the self-as-agent, we asked people to describe their goals verbally. In Study 1, actors claimed their goals were equally about helping the self and others (viz., moral); agents claimed their goals were primarily about helping the self (viz., selfish). This disparity was evident in both individualist and collectivist cultures, attesting to the universality of the selfish agent. Study 2 compared actors' and agents' motives to those of people role-playing highly prosocial or selfish exemplars. In content (Study 2a) and in the impressions they made on an outside observer (Study 2b), actors' motives were similar to those of the prosocial role-players, whereas agents' motives were similar to those of the selfish role-players. Study 3 accounted for the difference between the actor and agent: Participants claimed that their agent's motives were the more realistic and that their actor's motives were the more idealistic. The selfish agent/moral actor duality may account for why implicit and explicit measures of the same construct diverge, and why feeling watched brings out the better angels of human nature.

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

    Science.gov (United States)

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Monyoncho, Evans; Bissessur, Rabin, E-mail: rabissessur@upei.ca

    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.

  19. Intercalated vs Non-Intercalated Morphologies in Donor-Acceptor Bulk Heterojunction Solar Cells: PBTTT:Fullerene Charge Generation and Recombination Revisited

    KAUST Repository

    Collado Fregoso, Elisa

    2017-08-04

    In this contribution, we study the role of the donor:acceptor interface nanostructure upon charge separation and recombination in organic photovoltaic devices and blend films, using mixtures of PBTTT and two different fullerene derivatives (PC70BM and ICTA) as models for intercalated and non-intercalated morphologies, respectively. Thermodynamic simulations show that while the completely intercalated system exhibits a large free-energy barrier for charge separation, this barrier is significantly lower in the non-intercalated system, and almost vanishes when energetic disorder is included in the model. Despite these differences, both fs-resolved transient absorption spectroscopy (TAS) and TDCF exhibit extensive first-order losses in that system, suggesting that geminate pairs are the primary product of photoexcitation. In contrast, the system that comprises a combination of fully intercalated polymer:fullerene areas and fullerene aggregated domains (1:4 PBTTT:PC70BM), is the only one that shows slow, second-order recombination of free charges, resulting in devices with an overall higher short circuit current and fill factor. This study therefore provides a novel consideration of the role of the interfacial nanostructure and the nature of bound charges, and their impact upon charge generation and recombination.

  20. The intercalated BSc in sports and exercise medicine at Barts and The London School of Medicine and Dentistry.

    Science.gov (United States)

    Morrissey, Dylan; Nutt, James L; Mehdian, Roshana; Maffulli, Nicola

    2013-08-11

    To report about the intercalated Bsc(Hons) in Sports and Exercise Medicine at Barts and The London School of Medicine and Dentistry (BLSMD), Queen Mary University of London. Educational study. The course is currently in its tenth year, providing medical students with the opportunity to develop knowledge in the field of Sports and Exercise Medicine (SEM) during one academic year of full time study. There have been more than 150 graduates, and 22 students are enrolled for the 2012-13 academic year on what has been the most popular and largest intercalated degree at BLSMD in recent years. External applicants typically make up 30-40% of entrants. Equal weighting on taught modules and a portfolio of research activity provides a strong foundation in Sports and Exercise Medicine, and equips successful students with evidence based translational skills, and the opportunity to perform publishable research. This article outlines the increasing demand for Sports and Exercise Medicine education, and how the course prepares graduates for practising SEM as a sub-specialist interest or to compete for entry into the Specialist Trainee training route.

  1. Evidence of an association between use of anti-microbial agents in food animals and anti-microbial resistance among bacteria isolated from humans and the human health consequences of such resistance.

    Science.gov (United States)

    Angulo, F J; Nargund, V N; Chiller, T C

    2004-01-01

    Several lines of evidence indicate that the use of anti-microbial agents in food animals is associated with anti-microbial resistance among bacteria isolated from humans. The use of anti-microbial agents in food animals is most clearly associated with anti-microbial resistance among Salmonella and Campylobacter isolated from humans, but also appears likely among enterococci, Escherichia coli and other bacteria. Evidence is also accumulating that the anti-microbial resistance among bacteria isolated from humans could be the result of using anti-microbial agents in food animals and is leading to human health consequences. These human health consequences include: (i) infections that would not have otherwise occurred and (ii) increased frequency of treatment failures and increased severity of infection. Increased severity of infection includes longer duration of illness, increased frequency of bloodstream infections, increased hospitalization and increased mortality. Continued work and research efforts will provide more evidence to explain the connection between the use of anti-microbial agents in food animals and anti-microbial-resistant infections in humans. One particular focus, which would solidify this connection, is to understand the factors that dictate spread of resistance determinants, especially resistant genes. With continued efforts on the part of the medical, veterinary and public health community, such research may contribute to more precise guidelines on the use of anti-microbials in food animals.

  2. Intercalation reactions into graphite: a two-dimensional chemistry; Les reactions d'intercalation dans le graphite. Une chimie bidimensionnelle

    Energy Technology Data Exchange (ETDEWEB)

    Herold, C. [Nancy-1 Univ. Henri Poincare, Lab. de Chimie du Solide Mineral-UMR 7555, 54 (France); Lagrange, Ph. [Ecole Europeenne d' Ingenieurs en Genie des Materiaux, Institut National Polytechnique de Lorraine, 54 - Nancy (France)

    2006-03-15

    The lamellar structure of graphite and its oxidizing and reducing double nature lead this material to accommodate in its Van der Waals's gaps numerous and largely various chemical species, necessarily oxidizing or reducing. Thus the graphite intercalation compounds contain graphene planes, systematically reduced or oxidized. An overview on the graphite intercalation chemistry with electron donor species is presented in this paper: alkali, alkaline-earth metals, lanthanides, metallic alloys, ionic compounds like alkaline halides, chalcogenides and hydroxides. The crystal chemistry of these compounds brings the 'memory' out, that possess the intercalated sheets of the 3D structure of the initial species. Lastly, several of their electronic properties are given. (authors)

  3. A Proteomics Approach to Identify New Putative Cardiac Intercalated Disk Proteins

    NARCIS (Netherlands)

    Soni, Siddarth; Raaijmakers, Antonia J A; Raaijmakers, Linsey M; Damen, J Mirjam A; van Stuijvenberg, Leonie; Vos, Marc A; Heck, Albert J R; van Veen, Toon A B; Scholten, Arjen

    2016-01-01

    AIMS: Synchronous beating of the heart is dependent on the efficient functioning of the cardiac intercalated disk (ID). The ID is composed of a complex protein network enabling electrical continuity and chemical communication between individual cardiomyocytes. Recently, several different studies

  4. Thermal Stability of Modified i-Motif Oligonucleotides with Naphthalimide Intercalating Nucleic Acids

    DEFF Research Database (Denmark)

    El-Sayed, Ahmed Ali; Pedersen, Erik B.; Khaireldin, Nahid Y.

    2016-01-01

    In continuation of our investigation of characteristics and thermodynamic properties of the i-motif 5′-d[(CCCTAA)3CCCT)] upon insertion of intercalating nucleotides into the cytosine-rich oligonucleotide, this article evaluates the stabilities of i-motif oligonucleotides upon insertion of naphtha......In continuation of our investigation of characteristics and thermodynamic properties of the i-motif 5′-d[(CCCTAA)3CCCT)] upon insertion of intercalating nucleotides into the cytosine-rich oligonucleotide, this article evaluates the stabilities of i-motif oligonucleotides upon insertion...... of naphthalimide (1H-benzo[de]isoquinoline-1,3(2H)-dione) as the intercalating nucleic acid. The stabilities of i-motif structures with inserted naphthalimide intercalating nucleotides were studied using UV melting temperatures (Tm) and circular dichroism spectra at different pH values and conditions (crowding...

  5. Water-mediated potassium acetate intercalation in kaolinite as revealed by molecular simulation.

    Science.gov (United States)

    Ható, Zoltán; Makó, Éva; Kristóf, Tamás

    2014-03-01

    Molecular simulations are suitable tools to study the adsorption and intercalation of molecules in clays. In this work, a recently proposed thermodynamically consistent force field for inorganic compounds (INTERFACE, Heinz H, Lin TJ, Mishra RK, Emami FS (2013) Langmuir 29:1754-1765), which enables accurate simulations of inorganic-organic interfaces, was tested for a two-sheet type clay mineral. All-atom NpT molecular dynamics simulations were used to describe the characteristics (basal spacing, loading, molecular orientation) of some intercalate complexes of kaolinite with potassium acetate and the results were compared with the available experimental data. The most probable structural configurations of the kaolinite/potassium acetate intercalate complexes were determined from the simulations. Our examinations confirmed some supposed (single- or double-layered) arrangements of guest molecules. The need of interlayer water in the intercalate complex, which can be produced by the basic synthesis procedure in air atmosphere, was verified.

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

    International Nuclear Information System (INIS)

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

    2014-01-01

    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 ¯ point as well as a characteristic peak in a C 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

  7. CO intercalation of graphene on Ir(111) in the millibar regime

    DEFF Research Database (Denmark)

    Arman, M.A.; Andersen, Mie; Granas, E.

    2013-01-01

    structure is similar to the (3√3 × 3√3)R30°) adsorption structure that is formed on Ir(111) upon exposure to 1 mbar of CO. Further, density functional theory calculations reveal that the structural and electronic properties of CO-intercalated graphene are similar to p-doped freestanding graphene. Finally we......Here we show that it is possible to intercalate CO under graphene grown on Ir(111) already at room temperature when CO pressures in the millibar regime are used. From the interplay of X-ray photoelectron spectroscopy and scanning tunneling microscopy we conclude that the intercalated CO adsorption...... characterize nonintercalated stripes and islands that we always observe in the CO-intercalated graphene. We observe these nonintercalated areas predominately in HCP and FCC areas near step edges and suggest that stress release in graphene is the driving force for their formation, while the weak chemical bonds...

  8. Intercalation of tartrazine into ZnAl and MgAl layered double hydroxides

    Czech Academy of Sciences Publication Activity Database

    Beneš, L.; Melánová, Klára; Zima, Vítězslav; Svoboda, Jan

    2005-01-01

    Roč. 70, č. 2 (2005), s. 259-267 ISSN 0010-0765 Institutional research plan: CEZ:AV0Z40500505 Keywords : intercalation * hydrotalcite Subject RIV: CA - Inorganic Chemistry Impact factor: 0.949, year: 2005

  9. Rates of nickel(II) capture from complexes with NTA, EDDA, and related tetradentate chelating agents by the hexadentate chelating agents EDTA and CDTA: Evidence of a "semijunctive" ligand exchange pathway

    Science.gov (United States)

    Boland, Nathan E.; Stone, Alan T.

    2017-09-01

    Many siderophores and metallophores produced by soil organisms, as well as anthropogenic chelating agent soil amendments, rely upon amine and carboxylate Lewis base groups for metal ion binding. UV-visible spectra of metal ion-chelating agent complexes are often similar and, as a consequence, whole-sample absorbance measurements are an unreliable means of monitoring the progress of exchange reactions. In the present work, we employ capillary electrophoresis to physically separate Ni(II)-tetradentate chelating agent complexes (NiL) from Ni(II)-hexadentate chelating agent complexes (NiY) prior to UV detection, such that progress of the reaction NiL + Y → NiY + L can be conveniently monitored. Rates of ligand exchange for Ni(II) are lower than for other +II transition metal ions. Ni(II) speciation in environmental media is often under kinetic rather than equilibrium control. Nitrilotriacetic acid (NTA), with three carboxylate groups all tethered to a central amine Lewis base group, ethylenediamine-N,N‧-diacetic acid (EDDA), with carboxylate-amine-amine-carboxylate groups arranged linearly, plus four structurally related compounds, are used as tetradentate chelating agents. Ethylenediaminetetraacetic acid (EDTA) and the structurally more rigid analog trans-cyclohexaneethylenediaminetetraacetic acid (CDTA) are used as hexadentate chelating agents. Effects of pH and reactant concentration are explored. Ni(II) capture by EDTA was consistently more than an order of magnitude faster than capture by CDTA, and too fast to quantify using our capillary electrophoresis-based technique. Using NiNTA as a reactant, Ni(II) capture by CDTA is independent of CDTA concentration and greatly enhanced by a proton-catalyzed pathway at low pH. Using NiEDDA as reactant, Ni(II) capture by CDTA is first order with respect to CDTA concentration, and the contribution from the proton-catalyzed pathway diminished by CDTA protonation. While the convention is to assign either a disjunctive

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

    International Nuclear Information System (INIS)

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

    2016-01-01

    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 [Co 1.2 Zn 3.8 (OH) 8 ](NO 3 ) 2 ·2H 2 O (CoZn-NO 3 ), [Ni 2 Zn 3 (OH) 8 ](NO 3 ) 2 ·2H 2 O (NiZn-NO 3 ) and [Zn 5 (OH) 8 ](NO 3 ) 2 ·2H 2 O (Zn-NO 3 ). It proved possible to intercalate diclofenac and naproxen into all three HDSs. In contrast, Val could be intercalated into CoZn-NO 3 but when it was reacted with Zn-NO 3 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-NO 3 and Zn-NO 3 is mechanistically complex, with a number of intermediate phases observed. In contrast, the intercalation of all three guests into NiZn-NO 3 and of Val into CoZn-NO 3 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. - Graphical abstract: Seven new drug intercalates of hydroxy double salts (HDSs) have been prepared and characterised. The intercalation mechanisms have been explored, and the drug release properties of the HDS/drug composites quantified. Display Omitted

  11. Solid state NMR study of intercalate complexes of poly(ethylene oxide) and small molecules

    Czech Academy of Sciences Publication Activity Database

    Spěváček, Jiří; Brus, Jiří

    2003-01-01

    Roč. 203, - (2003), s. 111-121 ISSN 1022-1360. [International Conference on Polymer-Solvent Complexes and Intercalates /4./. Prague, 22.07.2002-25.07.2002] R&D Projects: GA AV ČR IAA4050209 Institutional research plan: CEZ:AV0Z4050913 Keywords : 2D 1H CRAMPS exchange NMR spectra * intercalate complexes * poly(ethylene oxide) Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.895, year: 2003

  12. Evolution of interfacial intercalation chemistry on epitaxial graphene/SiC by surface enhanced Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ferralis, Nicola, E-mail: ferralis@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Carraro, Carlo [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, CA 94720 (United States)

    2014-11-30

    Highlights: • H-intercalated epitaxial graphene–SiC interface studied with surface enhanced Raman. • Evolution of graphene and H–Si interface with UV-ozone, annealing and O-exposure. • H–Si interface and quasi-freestanding graphene are retained after UV-ozone treatment. • Enhanced ozonolytic reactivity at the edges of H-intercalated defected graphene. • Novel SERS method for characterizing near-surface graphene–substrate interfaces. - Abstract: A rapid and facile evaluation of the effects of physical and chemical processes on the interfacial layer between epitaxial graphene monolayers on SiC(0 0 0 1) surfaces is essential for applications in electronics, photonics, and optoelectronics. Here, the evolution of the atomic scale epitaxial graphene-buffer-layer–SiC interface through hydrogen intercalation, thermal annealings, UV-ozone etching and oxygen exposure is studied by means of single microparticle mediated surface enhanced Raman spectroscopy (smSERS). The evolution of the interfacial chemistry in the buffer layer is monitored through the Raman band at 2132 cm{sup −1} corresponding to the Si-H stretch mode. Graphene quality is monitored directly by the selectively enhanced Raman signal of graphene compared to the SiC substrate signal. Through smSERS, a simultaneous correlation between optimized hydrogen intercalation in epitaxial graphene/SiC and an increase in graphene quality is uncovered. Following UV-ozone treatment, a fully hydrogen passivated interface is retained, while a moderate degradation in the quality of the hydrogen intercalated quasi-freestanding graphene is observed. While hydrogen intercalated defect free quasi-freestanding graphene is expected to be robust upon UV-ozone, thermal annealing, and oxygen exposure, ozonolytic reactivity at the edges of H-intercalated defected graphene results in enhanced amorphization of the quasi-freestanding (compared to non-intercalated) graphene, leading ultimately to its complete etching.

  13. Evolution of interfacial intercalation chemistry on epitaxial graphene/SiC by surface enhanced Raman spectroscopy

    International Nuclear Information System (INIS)

    Ferralis, Nicola; Carraro, Carlo

    2014-01-01

    Highlights: • H-intercalated epitaxial graphene–SiC interface studied with surface enhanced Raman. • Evolution of graphene and H–Si interface with UV-ozone, annealing and O-exposure. • H–Si interface and quasi-freestanding graphene are retained after UV-ozone treatment. • Enhanced ozonolytic reactivity at the edges of H-intercalated defected graphene. • Novel SERS method for characterizing near-surface graphene–substrate interfaces. - Abstract: A rapid and facile evaluation of the effects of physical and chemical processes on the interfacial layer between epitaxial graphene monolayers on SiC(0 0 0 1) surfaces is essential for applications in electronics, photonics, and optoelectronics. Here, the evolution of the atomic scale epitaxial graphene-buffer-layer–SiC interface through hydrogen intercalation, thermal annealings, UV-ozone etching and oxygen exposure is studied by means of single microparticle mediated surface enhanced Raman spectroscopy (smSERS). The evolution of the interfacial chemistry in the buffer layer is monitored through the Raman band at 2132 cm −1 corresponding to the Si-H stretch mode. Graphene quality is monitored directly by the selectively enhanced Raman signal of graphene compared to the SiC substrate signal. Through smSERS, a simultaneous correlation between optimized hydrogen intercalation in epitaxial graphene/SiC and an increase in graphene quality is uncovered. Following UV-ozone treatment, a fully hydrogen passivated interface is retained, while a moderate degradation in the quality of the hydrogen intercalated quasi-freestanding graphene is observed. While hydrogen intercalated defect free quasi-freestanding graphene is expected to be robust upon UV-ozone, thermal annealing, and oxygen exposure, ozonolytic reactivity at the edges of H-intercalated defected graphene results in enhanced amorphization of the quasi-freestanding (compared to non-intercalated) graphene, leading ultimately to its complete etching

  14. DNA minor groove alkylating agents.

    Science.gov (United States)

    Denny, W A

    2001-04-01

    Recent work on a number of different classes of anticancer agents that alkylate DNA in the minor groove is reviewed. There has been much work with nitrogen mustards, where attachment of the mustard unit to carrier molecules can change the normal patterns of both regio- and sequence-selectivity, from reaction primarily at most guanine N7 sites in the major groove to a few adenine N3 sites at the 3'-end of poly(A/T) sequences in the minor groove. Carrier molecules discussed for mustards are intercalators, polypyrroles, polyimidazoles, bis(benzimidazoles), polybenzamides and anilinoquinolinium salts. In contrast, similar targeting of pyrrolizidine alkylators by a variety of carriers has little effect of their patterns of alkylation (at the 2-amino group of guanine). Recent work on the pyrrolobenzodiazepine and cyclopropaindolone classes of natural product minor groove binders is also reviewed.

  15. Dirac cone in two dimensional bilayer graphene by intercalation with V, Nb, and Ta transition metals

    Science.gov (United States)

    Pakhira, Srimanta; Lucht, Kevin P.; Mendoza-Cortes, Jose L.

    2018-02-01

    Bilayer graphene (BLG) is a semiconductor whose band gap and properties can be tuned by various methods such as doping or applying gate voltage. Here, we show how to tune electronic properties of BLG by intercalation of transition metal (TM) atoms between two monolayer graphene (MLG) using a novel dispersion-corrected first-principle density functional theory (DFT) approach. We intercalated V, Nb, and Ta atoms between two MLG. We found that the symmetry, the spin, and the concentration of TM atoms in BLG-intercalated materials are the important parameters to control and to obtain a Dirac cone in their band structures. Our study reveals that the BLG intercalated with one vanadium (V) atom, BLG-1V, has a Dirac cone at the K-point. In all the cases, the present DFT calculations show that the 2pz sub-shells of C atoms in graphene and the 3dyz sub-shells of the TM atoms provide the electron density near the Fermi energy level (EF) which controls the material properties. Thus, we show that out-of-plane atoms can influence in-plane electronic densities in BLG and enumerate the conditions necessary to control the Dirac point. This study offers insight into the physical properties of 2D BLG intercalated materials and presents a new strategy for controlling the electronic properties of BLG through TM intercalation by varying the concentration and spin arrangement of the metals resulting in various conducting properties, which include: metal, semi-metal and semiconducting states.

  16. Intercalation of FeCl sub 3 into graphite films in molten salts

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Z.D. (Materials Science, Toyohashi Univ. of Tech. (Japan)); Inagaki, M. (Faculty of Engineering, Hokkaido Univ., Sapporo (Japan))

    1991-08-01

    The intercalation of FeCl{sub 3} into graphite films using the FeCl{sub 3}-KCl molten salt system was studied and compared to the intercalation from the vapor phase of FeCl{sub 3}. The intercalation in the molten salt proceeded gradually by changing the stage structure, in contrast to that in vapor phase where initially a stage-1 compound was formed in coexistence with unreacted graphite. The composition of the molten salts (FeCl{sub 3}/KCl ratio) and the addition of chlorine gas were found to affect strongly the intercalation rate and equilibrium stage structure. An exfoliation of the graphite film occurred after intercalation in the molten salts at high temperatures (above 400degC) and produced electrical conductivities much lower than the pristine films. The intercalated films synthesized at 300degC have conductivities about four times higher than the pristine films. From these experimental results, the diffusion rate of FeCl{sub 3} into the graphite galleries is found to be faster in the molten salts than from the vapor phase and to depend on the composition of the molten salts. (orig.).

  17. Quasi-Free-Standing Graphene Monolayer on a Ni Crystal through Spontaneous Na Intercalation

    Directory of Open Access Journals (Sweden)

    Young S. Park

    2014-07-01

    Full Text Available Graphene on metal substrates often shows different electronic properties from isolated graphene because of graphene-substrate interactions. One needs to remove the metals with acids and then to transfer graphene to weakly interacting substrates to recover electrical properties inherent in graphene. This process is not easy and besides causes undesirable tears, defects, and impurities in graphene. Here, we report a method to recover the electronic structure of graphene from a strongly interacting Ni substrate by spontaneous Na intercalation. In order to characterize the intercalation process, the density-functional-theory calculations and angle-resolved photoemission-spectroscopy (ARPES and scanning-tunneling-microscopy (STM measurements are carried out. From the density-functional-theory calculations, Na atoms energetically prefer interface intercalation to surface adsorption for the graphene/Ni(111 surface. Unlike most intercalants, Na atoms intercalate spontaneously at room temperature due to a tiny diffusion barrier, which is consistent with our temperature-dependent ARPES and core-level photoemission spectroscopy, and with our submonolayer ARPES and STM results at room temperature. As a result of the spontaneous intercalation, the electronic structure of graphene is almost recovered, as confirmed by the Dirac cone with a negligible band gap in ARPES and the sixfold symmetry in STM.

  18. Facile synthesis of deoxycholate intercalated layered double hydroxide nanohybrids via a coassembly process

    International Nuclear Information System (INIS)

    Wu, Xiaowen; Wang, Shuang; Du, Na; Zhang, Renjie; Hou, Wanguo

    2013-01-01

    In this paper, we describe a synthesis strategy of deoxycholate (DC) intercalated layered double hydroxide (LDH) nanohybrids via a coassembly method at room temperature. For this strategy, LDH particles were delaminated to well-dispersed 2D nanosheets in formamide, and the resulting LDH nanosheets were then coassembled with DC anions into the DC intercalated LDH (DC-LDH) nanohybrids. The so-synthesized nanohybrids were characterized by XRD, TEM, FT-IR, elemental analyses and TG-DSC. It was found that the loading amount of DC in the nanohybrids could be easily controlled by changing the ratio of DC to LDH. In addition, the nanohybrids have similar characteristics with the DC-LDH nanohybrids synthesized by the hydrothermal method, including their DC loading, crystal structure, morphology and thermal gravimetric behavior. However, this strategy exhibited the advantages of short reaction time and mild experimental conditions compared with the hydrothermal method. - Graphical abstract: Deoxycholate intercalated layered double hydroxide nanohybrids were successfully synthesized via a coassembly strategy. In this strategy, the interlayer spaces of LDHs can be efficiently used for the intercalation of guest species. - Highlights: • Deoxycholate intercalated layered double hydroxide nanohybrids were synthesized via a coassembly strategy. • This strategy exhibited the advantages of short time and mild conditions. • This strategy can enable organic species to be readily intercalated into the LDH galleries

  19. Why medical students choose not to carry out an intercalated BSc: a questionnaire study

    Directory of Open Access Journals (Sweden)

    Lemon John

    2010-03-01

    Full Text Available Abstract Background At some medical schools, students can opt to undertake a 1 year intercalated degree, usually a BSc, in addition to their medical course. Over the last few years the numbers of students who have opted to undertake an intercalated degree have been steadily decreasing despite the advantages in securing foundation posts. The aim of this study was to find out why medical students opted not to take an intercalated degree. Methods All 4th and 5th year medical students (n = 343 who had elected not to take an intercalated degree were personally handed a questionnaire. Results 293 completed questionnaires were returned (response rate 85%. The most common reason students opted not to intercalate was because they did not want to have another year of study (69.6% or incur more debt (51.9%. Only 45 (15.3% students said they had enough information to inform their decision: reported take up of information provision was poor. Conclusions Our findings indicate that the benefits of intercalating need to be better defined and presented to students in a way that they can make a more informed decision.

  20. An intercalated BSc degree is associated with higher marks in subsequent medical school examinations.

    Science.gov (United States)

    Cleland, Jennifer A; Milne, Andrew; Sinclair, Hazel; Lee, Amanda J

    2009-05-19

    To compare medical students on a modern MBChB programme who did an optional intercalated degree with their peers who did not intercalate; in particular, to monitor performance in subsequent undergraduate degree exams. This was a retrospective, observational study of anonymised databases of medical student assessment outcomes. Data were accessed for graduates, University of Aberdeen Medical School, Scotland, UK, from the years 2003 to 2007 (n = 861). The main outcome measure was marks for summative degree assessments taken after intercalating. Of 861 medical students, 154 (17.9%) students did an intercalated degree. After adjustment for cohort, maturity, gender and baseline (3rd year) performance in matching exam type, having done an IC degree was significantly associated with attaining high (18-20) common assessment scale (CAS) marks in three of the six degree assessments occurring after the IC students rejoined the course: the 4th year written exam (p < 0.001), 4th year OSCE (p = 0.001) and the 5th year Elective project (p = 0.010). Intercalating was associated with improved performance in Years 4 and 5 of the MBChB. This improved performance will further contribute to higher academic ranking for Foundation Year posts. Long-term follow-up is required to identify if doing an optional intercalated degree as part of a modern medical degree is associated with following a career in academic medicine.

  1. Why medical students choose not to carry out an intercalated BSc: a questionnaire study.

    Science.gov (United States)

    Nicholson, Jamie A; Cleland, Jennifer; Lemon, John; Galley, Helen F

    2010-03-23

    At some medical schools, students can opt to undertake a 1 year intercalated degree, usually a BSc, in addition to their medical course. Over the last few years the numbers of students who have opted to undertake an intercalated degree have been steadily decreasing despite the advantages in securing foundation posts. The aim of this study was to find out why medical students opted not to take an intercalated degree. All 4th and 5th year medical students (n = 343) who had elected not to take an intercalated degree were personally handed a questionnaire. 293 completed questionnaires were returned (response rate 85%). The most common reason students opted not to intercalate was because they did not want to have another year of study (69.6%) or incur more debt (51.9%). Only 45 (15.3%) students said they had enough information to inform their decision: reported take up of information provision was poor. Our findings indicate that the benefits of intercalating need to be better defined and presented to students in a way that they can make a more informed decision.

  2. Low cost iodine intercalated graphene for fuel cells electrodes

    Science.gov (United States)

    Marinoiu, Adriana; Raceanu, Mircea; Carcadea, Elena; Varlam, Mihai; Stefanescu, Ioan

    2017-12-01

    On the theoretical predictions, we report the synthesis of iodine intercalated graphene for proton exchange membrane fuel cells (PEMFCs) applications. The structure and morphology of the samples were characterized by X-ray photoelectron spectroscopy (XPS) analysis, specific surface area by BET method, Raman investigations. The presence of elemental iodine in the form of triiodide and pentaiodide was validated, suggesting that iodine was trapped between graphene layers, leading to interactions with C atoms. The electrochemical performances of iodinated graphenes were tested and compared with a typical PEMFC configuration, containing different Pt/C loading (0.4 and 0.2 mg cm-2). If iodinated graphene is included as microporous layer, the electrochemical performances of the fuel cell are higher in terms of power density than the typical fuel cell. Iodine-doped graphenes have been successfully obtained by simple and cost effective synthetic strategy and demonstrated new insights for designing of a high performance metal-free ORR catalyst by a scalable technique.

  3. Anisotropy of electrical conductivity in aluminum trichloride-intercalated graphite

    Science.gov (United States)

    McRae, E.; Marché, J. F.; Pernot, P.; Vangelisti, R.

    1989-05-01

    We have examined the basal-plane and c-axis electrical resistivity (ρa and ρc) of first-, second-, and fourth-stage (s) graphite intercalation compounds containing aluminum trichloride from 4.2<=T<=295 K. The basal-plane results are similar for all stages: ρa is a nonlinear function of T, and all ρ(295 K)/ρ(4.2 K) values are less than 10. The ρc(T) behavior is stage dependent: for s=1, ρc(T) varies approximately as ρa(T), but is (3-8)×105 times as great; whereas, for s=2, ρc diminishes linearly as T decreases, undergoes a sharp transition at ~186 K, and again decreases linearly with a reduced slope. Liquid-helium anisotropy values in second-stage materials can attain 3×106. The thermal variation of ρc is shown to be a function of the low-temperature value for both first- and second-stage products. The data are compared to results of recent conduction-electron spin-resonance studies, and possible conductivity mechanisms are discussed.

  4. Nanoporous Ag-CNTs foamed electrode for lithium intercalation

    Directory of Open Access Journals (Sweden)

    B. Khoshnevisan

    2011-07-01

    Full Text Available Intercalation of lithium into Ag-CNTs sample is reported here. We have used a nano-porous silver foam as a frame for deposition of the CNTs   inside   the   pores   by   electrophoresis   deposition   (EPD technique. By using  chronopotentiometry method,  we  have noticed that the Li storage capacity of the prepared Ag-CNTs electrode was improved  noticeably  in  comparison  with  literature.  In  addition,  a very  good functional stability  for  the  prepared  electrode  has  been tested   during   subsequent   cycles   of   charge / discharge   (C&D procedures. By scanning the cycle's regulated current from 0.2 up to 1.0 mA , it was shown that in the range of 0.4–0.6 mA reversibility of the C&D capacity became optimum and the voltage profiles were converged, as well.

  5. Neutralization of an epitaxial graphene grown on a SiC(0001) by means of palladium intercalation

    Science.gov (United States)

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

    2017-03-01

    Pd-intercalated graphene grown on a SiC(0001) substrate was investigated using STM, angle-resolved photoemission spectroscopy, and XPS. Pd atoms deposited at room temperature on a zero layer graphene grown on a SiC(0001) substrate were intercalated between the zero layer graphene and the SiC substrate after the thermal annealing above 700 °C, forming a Pd-intercalated single layer graphene. No charge transfer occurred between the intercalated Pd layer and the graphene, which resulted in the formation of the electrically neutral graphene. The Pd-intercalated graphene remained electrically neutral throughout the annealing temperature range between 700 and 1100 °C. The charge transfer, however, occurred between the intercalated Pd layer and the SiC substrate, which caused a band bending confirmed in the core level spectra measured by XPS.

  6. Intercalation of alcohols into barium phenylphosphonate: Influence of the number and position of funcitonal groups in the guests on their arrangement in the intercalates.

    Czech Academy of Sciences Publication Activity Database

    Melánová, Klára; Beneš, L.; Zima, Vítězslav; Svoboda, J.; Růžička, A.

    2017-01-01

    Roč. 251, July (2017), s. 211-216 ISSN 0022-4596 R&D Projects: GA ČR(CZ) GA14-13368S Institutional support: RVO:61389013 Keywords : intercalation * barium phosphonate * alcohol s Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 2.299, year: 2016

  7. Resistivity features in intercalated graphite compounds with bromine and iodine chloride in the region of structural phase transitions in the layer of intercalate

    International Nuclear Information System (INIS)

    Ovsyijenko, Yi.V.; Lazarenko, O.A.; Matsuj, L.Yu.; Prokopov, O.Yi.

    2013-01-01

    In the paper anomalous changes of resistivity in graphite intercalated compounds with iodine chloride and bromine are investigated in the phase transition temperature interval. It is shown that these anomalies are caused by the change of carriers mobility in the phase transitional interval as well as by the origin of ''mobile ions liquids''

  8. Localization of Sodium Channels in Intercalated Disks Modulates Cardiac Conduction

    Science.gov (United States)

    Kucera, Jan P.; Rohr, Stephan; Rudy, Yoram

    2007-01-01

    It is well known that the sodium current (INa) and the degree of gap-junctional electrical coupling are the key determinants of action potential (AP) conduction in cardiac tissue. Immunohistochemical studies have shown that sodium channels (NaChs) are preferentially located in intercalated disks (IDs). Using dual immunocytochemical staining, we confirmed the colocalization of NaChs with connexin43 in cultures of neonatal rat ventricular myocytes. In mathematical simulations of conduction using the Luo-Rudy dynamic model of the ventricular AP, we assessed the hypothesis that conduction could be modulated by the preferential localization of NaChs in IDs. Localization of INa at the ID caused a large negative potential in the intercellular cleft, which influenced conduction in two opposing ways, depending on the degree of electrical coupling: (1) for normal and moderately reduced coupling, the negative cleft potential led to a large overshoot of the transmembrane potential resulting in a decreased driving force for INa itself (self-attenuation), which slowed conduction; (2) for greatly reduced coupling (<10%), the negative cleft potential induced by INa in the prejunctional membrane led to suprathreshold depolarization of the postjunctional membrane, which facilitated and accelerated conduction. When cleft potential effects were not incorporated, conduction was not significantly affected by the ID localization of INa. By enhancing conduction through the establishment of cleft potentials, the localization of NaChs in IDs might protect the myocardium from conduction block, very slow conduction, and microreentry under conditions of greatly reduced coupling. Conversely, by supporting moderately slow conduction, this mechanism could also promote arrhythmias PMID:12480819

  9. Mutagenic effects of alkylating agents on prophage lambda

    Energy Technology Data Exchange (ETDEWEB)

    Bresler, S.; Kalinin, V.L.; Kuznetsova, L.V.

    1984-06-01

    An evaluation was made of the relative contribution of repair and reparative mechanisms to the mutagenic potency of several alkylating agents on thermoinducible prophage lambdacI857 ind/sup -/ in several stains of E. coli. Following treatment of lysogenic E. coli with the mutagens and heat induction, 0.02 N-nitroso-N-methylurea (NMU) induced c mutations with a high frequency (ca. 10%) in both wild type E. coli and cells with repair mutations (recA13, lexA102, uvrA6, umuC36, xthA9, recF143, polA1, uvrD3, uvrD502). It appears that NUM-induced mutations are stabilized as replicative errors due to mismatched, altered bases. Delay in induction following exposure to NMU improves prophage survival and diminishes c mutant formation, regardless of the E. coli genotype. Evidently, carbamoylation is not involved in NMU mutagenicity since 0.02 M KNCO is nonmutagenic and is virtually without effect on prophage viability. Replicative mechanisms are also involved in N-methyl-N'-nitro-N-nitrosoguanidine (15%) and ethyl methanesulfonate (2%) induced mutations, since the maximum yield of mutants was independent of recA/sup +/ genotype. However, the mutagenicity of methyl methanesulfonate was abolished by the recA mutation, indicating that the mutagenicity of this agent is repair-dependent. Mitomycin C (0.1%) and acridine mustard (0.3%) induce c mutations regardless of recA/sup +/ and, therefore, appear to do so by intercalation. 26 references, 6 figures.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

    Highlights: • A MWCNTs/rGO/ZnO quantum dots intercalation nanoballs decorated 3D hierarchical architecture is fabricated on Ni foam. • Large numbers of ZnO quantum dots are intercalated by rGO sheets to construct hierarchical nanoballs. • Improved mechanical, kinetic and electrochemical properties are found. • The strong interfacial effect makes the material can be used for selective detection of dopamine, ascorbic acid and uric acid. - Abstract: 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Jing; Zhao, Minggang, E-mail: zhaomg@ouc.edu.cn; Li, Yingchun; Fan, Sisi; Ding, Longjiang; Liang, Jingjing; Chen, Shougang, E-mail: sgchen@ouc.edu.cn

    2016-07-15

    Highlights: • A MWCNTs/rGO/ZnO quantum dots intercalation nanoballs decorated 3D hierarchical architecture is fabricated on Ni foam. • Large numbers of ZnO quantum dots are intercalated by rGO sheets to construct hierarchical nanoballs. • Improved mechanical, kinetic and electrochemical properties are found. • The strong interfacial effect makes the material can be used for selective detection of dopamine, ascorbic acid and uric acid. - Abstract: 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.

  12. Intercalation of urea into kaolinite for preparation of controlled release fertilizer

    Directory of Open Access Journals (Sweden)

    Mahdavi Fariba

    2014-01-01

    Full Text Available In this study urea was intercalated between layers of kaolinite by dry grinding technique to be used for preparing controlled release fertilizer. X-ray powder diffraction (XRPD patterns confirmed the intercalation of urea into kaolinite by the significant expansion of the basal spacing of kaolinite layers from 0.710 nm to 1.090 nm. Fourier transform infrared spectroscopy (FT-IR also confirmed the hydrogen bonding between urea and kaolinite. Based on CHNS elemental analysis, 20% (wt. urea was intercalated between kaolinite layers. The urea-intercalated kaolinite was mixed with hydroxypropyl methylcellulose (HPMC binder and was granulated to prepare the nitrogen-based controlled release fertilizer. To study the nitrogen release behavior of granules, ultraviolet/visible (UV-Vis spectroscopy was used through the diacetyl monoxime (DAM colorimetric method. The result of UV-Vis spectroscopy showed that intercalation of urea into kaolinite decreased the nitrogen release from 25.50 to 13.66 % after 24 hours and from 98.15 to 70.01% after 30 days incubation in water. According to the results, the prepared controlled release fertilizer (CRF behaved according to the standard for CRFs.

  13. Potential-modulated intercalation of alkali cations into metal hexacyanoferrate coated electrodes. 1998 annual progress report

    International Nuclear Information System (INIS)

    Schwartz, D.T.

    1998-01-01

    'This program is studying potential-driven cation intercalation and deintercalation in metal hexacyanoferrate compounds, with the eventual goal of creating materials with high selectivity for cesium separations and long cycle lifetimes. The separation of radiocesium from other benign cations has important implications for the cost of processing a variety of cesium contaminated DOE wasteforms. This report summarizes results after nine months of work. Much of the initial efforts have been directed towards quantitatively characterizing the selectivity of nickel hexacyanoferrate derivatized electrodes for intercalating cesium preferentially over other alkali metal cations. Using energy dispersive xray spectroscopy (ex-situ, but non-destructive) and ICP analysis (ex-situ and destructive), the authors have demonstrated that the nickel hexacyanoferrate lattice has a strong preference for intercalated cesium over sodium. For example, when ions are reversibly loaded into a nickel hexacyanoferrate thin film from a solution containing 0.9999 M Na + and 0.0001 M Cs + , the film intercalates 40% as much Cs + as when loaded from pure 1 M Cs + containing electrolyte (all electrolytes use nitrates as the common anion). The authors have also shown that, contrary to the common assumptions found in the literature, a significant fraction of the thin film is not active initially. A new near infrared laser has been purchased and is being added to the Raman spectroscopy facilities to allow in-situ studies of the intercalation processes.'

  14. Kaolinite Nanocomposite Platelets Synthesized by Intercalation and Imidization of Poly(styrene-co-maleic anhydride)

    Science.gov (United States)

    Samyn, Pieter; Schoukens, Gustaaf; Stanssens, Dirk

    2015-01-01

    A synthesis route is presented for the subsequent intercalation, exfoliation and surface modification of kaolinite (Kln) by an imidization reaction of high-molecular weight poly(styrene-co-maleic anhydride) or SMA in the presence of ammonium hydroxide. In a first step, the intercalation of ammonolyzed SMA by guest displacement of intercalated dimethylsulfoxide has been proven. In a second step, the imidization of ammonolyzed SMA at 160 °C results in exfoliation of the kaolinite layers and deposition of poly(styrene-co-maleimide) or SMI nanoparticles onto the kaolinite surfaces. Compared with a physical mixture of Kln/SMI, the chemically reacted Kln/SMI provides more efficient exfoliation and hydrogen bonding between the nanoparticles and the kaolinite. The kaolinite nanocomposite particles are synthesized in aqueous dispersion with solid content of 65 wt %. The intercalation and exfoliation are optimized for a concentration ratio of Kln/SMI = 70:30, resulting in maximum intercalation and interlayer distance in combination with highest imide content. After thermal curing at 135 °C, the imidization proceeds towards a maximum conversion of the intermediate amic acid moieties. The changes in O–H stretching and kaolinite lattice vibrations have been illustrated by infrared and FT-Raman spectroscopy, which allow for a good quantification of concentration and imidization effects. PMID:28793445

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

    Energy Technology Data Exchange (ETDEWEB)

    Osiry, H.; Cano, A.; Lemus-Santana, A.A.; Rodríguez, A. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional (Mexico); Carbonio, R.E. [INFIQC-CONICET, Departamento de Físico Química, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, X5000HUA Córdoba (Argentina); Reguera, E., E-mail: edilso.reguera@gmail.com [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional (Mexico)

    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.

  16. Adsorption of Phosphate Ion in Water with Lithium-Intercalated Gibbsite

    Directory of Open Access Journals (Sweden)

    Riwandi Sihombing

    2015-12-01

    Full Text Available In order to enhance adsorption capacity of gibbsite (Al(OH3 as an adsorbent for the adsorption of phosphate in water, gibbsite was modified through lithium-intercalation. The purification method of Tributh and Lagaly was applied prior to intercalation. The Li-Intercalation was prepared by the dispersion of gibbsite into LiCl solution for 24 hours. This intercalation formed an cationic clay with the structure of [LiAl2(OH6]+ and exchangeable Cl- anions in the gibbsite interlayer. A phosphate adsorption test using Lithium-intercalated gibbsite (LIG resulted in optimum adsorption occurring at pH 4.5 with an adsorption capacity of 11.198 mg phosphate/g LIG which is equivalent with 1.04 wt% LIG. The adsorption capacity decreased with decreasing amounts of H2PO4-/HPO4- species in the solution. This study showed that LIG has potential as an adsorbent for phosphate in an aqueous solution with pH 4.5–9.5.

  17. INTERPRETATION OF POTENTIAL INTERMITTENCE TITRATION TECHNIQUE EXPERIMENTS FOR VARIOUS Li-INTERCALATION ELECTRODES

    Directory of Open Access Journals (Sweden)

    M.D.Levi

    2002-01-01

    Full Text Available In this paper we compare two different approaches for the calculation of the enhancement factor Wi, based on its definition as the ratio of the chemical and the component diffusion coefficients for species in mixed-conduction electrodes, originated from the "dilute solution" or "lattice gas" models for the ion system. The former approach is only applicable for small changes of the ion concentration while the latter allows one to consider a broad range of intercalation levels. The component diffusion coefficient of lithium ions has been determined for a series of lithium intercalation anodes and cathodes. A new "enhancement factor" for the ion transport has been defined and its relations to the intercalation capacitance and the intercalation isotherm have been established. A correlation between the dependences of the differential capacitance and the partial ion conductivity on the potential has been observed. It is considered as a prove that the intercalation process is controlled by the availability of sites for Li-ion insertion rather than by the concurrent insertion of the counter-balancing electronic species.

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

    Science.gov (United States)

    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.

  19. Kaolinite Nanocomposite Platelets Synthesized by Intercalation and Imidization of Poly(styrene-co-maleic anhydride

    Directory of Open Access Journals (Sweden)

    Pieter Samyn

    2015-07-01

    Full Text Available A synthesis route is presented for the subsequent intercalation, exfoliation and surface modification of kaolinite (Kln by an imidization reaction of high-molecular weight poly(styrene-co-maleic anhydride or SMA in the presence of ammonium hydroxide. In a first step, the intercalation of ammonolyzed SMA by guest displacement of intercalated dimethylsulfoxide has been proven. In a second step, the imidization of ammonolyzed SMA at 160 °C results in exfoliation of the kaolinite layers and deposition of poly(styrene-co-maleimide or SMI nanoparticles onto the kaolinite surfaces. Compared with a physical mixture of Kln/SMI, the chemically reacted Kln/SMI provides more efficient exfoliation and hydrogen bonding between the nanoparticles and the kaolinite. The kaolinite nanocomposite particles are synthesized in aqueous dispersion with solid content of 65 wt %. The intercalation and exfoliation are optimized for a concentration ratio of Kln/SMI = 70:30, resulting in maximum intercalation and interlayer distance in combination with highest imide content. After thermal curing at 135 °C, the imidization proceeds towards a maximum conversion of the intermediate amic acid moieties. The changes in O–H stretching and kaolinite lattice vibrations have been illustrated by infrared and FT-Raman spectroscopy, which allow for a good quantification of concentration and imidization effects.

  20. Influence of metal ions intercalation on the vibrational dynamics of water confined between MXene layers

    Science.gov (United States)

    Osti, Naresh C.; Naguib, Michael; Ganeshan, Karthik; Shin, Yun K.; Ostadhossein, Alireza; van Duin, Adri C. T.; Cheng, Yongqiang; Daemen, Luke L.; Gogotsi, Yury; Mamontov, Eugene; Kolesnikov, Alexander I.

    2017-11-01

    Two-dimensional (2D) carbides and nitrides of early transition metals (MXenes) combine high conductivity with hydrophilic surfaces, which make them promising for energy storage, electrocatalysis, and water desalination. The effects of intercalated metal ions on the vibrational states of water confined in Ti3C2Tx MXenes have been explored using inelastic neutron scattering (INS) and molecular-dynamics simulations to better understand the mechanisms that control MXenes' behavior in aqueous electrolytes, water purification, and other important applications. We observe an INS signal from water in all samples, pristine and with lithium, sodium, or potassium ions intercalated between the 2D Ti3C2Tx layers. However, only a small amount of water is found to reside in Ti3C2Tx intercalated with metal ions. Water in pristine Ti3C2Tx is more disordered, with bulklike characteristics, in contrast to intercalated Ti3C2Tx , where water is more ordered, irrespective of the metal ions used for intercalation. The ordering of the confined water increases with the ion size. This finding is further confirmed from molecular-dynamics simulation, which showed an increase in interference of water molecules with increasing ion size resulting in a concomitant decrease in water mobility, therefore providing guidance to tailor MXene properties for energy and environmental applications.

  1. Electrode Surface Composition of Dual-Intercalation, All-Graphite Batteries

    Directory of Open Access Journals (Sweden)

    Boris Dyatkin

    2017-02-01

    Full Text Available Dual-intercalation batteries implement graphite electrodes as both cathodes and anodes and offer high specific energy, inexpensive and environmentally sustainable materials, and high operating voltages. Our research investigated the influence of surface composition on capacities and cycling efficiencies of chemically functionalized all-graphite battery electrodes. We subjected coreshell spherical particles and synthetic graphite flakes to high-temperature air oxidation, and hydrogenation to introduce, respectively, –OH, and –H surface functional groups. We identified noticeable influences of electrode surface chemistry on first-cycle efficiencies and charge storage densities of anion and cation intercalation into graphite electrodes. We matched oxidized cathodes and hydrogenated anodes in dual-ion batteries and improved their overall performance. Our approach provides novel fundamental insight into the anion intercalation process and suggests inexpensive and environmentally sustainable methods to improve performance of these grid-scale energy storage systems

  2. Intercalation of diclofenac in modified Zn/Al hydrotalcite-like preparation

    Science.gov (United States)

    Heraldy, E.; Suprihatin, R. W.; Pranoto

    2016-02-01

    The intercalation of a pharmaceutically active material diclofenac into modified Zn/Al Hydrotalcite-like (Zn/Al HTlc) preparation has been investigated by the coprecipitation and ion exchange method, respectively. The synthetic materials were characterized using X- Ray Diffraction (XRD); Fourier transforms infrared spectroscopy (FTIR); Scanning Electron Microscope (SEM); X-Ray Fluorescence (XRF) and surface area analyzer. The results show that the basal spacing of the product was expanded to 11.03 A for direct synthesis and 10.68 A for indirect synthesis, suggesting that diclofenac anion was intercalated into Zn/Al HTlc and arranged in a tilted bilayer fashion and the specific surface area of material increased after the intercalation of diclofenac.

  3. Hybrid Doping of Few-Layer Graphene via a Combination of Intercalation and Surface Doping

    KAUST Repository

    Mansour, Ahmed

    2017-05-23

    Surface molecular doping of graphene has been shown to modify its work function and increase its conductivity. However, the associated shifts in work function and increases in carrier concentration are highly coupled and limited by the surface coverage of dopant molecules on graphene. Here we show that few-layer graphene (FLG) can be doped using a hybrid approach, effectively combining surface doping by larger (metal-)organic molecules, while smaller molecules, such as Br2 and FeCl3, intercalate into the bulk. Intercalation tunes the carrier concentration more effectively, whereas surface doping of intercalated FLG can be used to tune its work function without reducing the carrier mobility. This multi-modal doping approach yields a very high carrier density and tunable work function for FLG, demonstrating a new versatile platform for fabricating graphene-based contacts for electronic, optoelectronic and photovoltaic applications.

  4. Formation Dynamics of Potassium-Based Graphite Intercalation Compounds: An Ab Initio Study

    Science.gov (United States)

    Jiang, Xiankai; Song, Bo; Tománek, David

    2018-04-01

    This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. We use ab initio molecular dynamics simulations to study the microscopic dynamics of potassium intercalation in graphite. Upon adsorbing on graphite from the vapor phase, K atoms transfer their valence charge to the substrate. K atoms adsorbed on the surface diffuse rapidly along the graphene basal plane and eventually enter the interlayer region following a "U -turn" across the edge, gaining additional energy. This process is promoted at higher coverages associated with higher K pressure, leading to the formation of a stable intercalation compound. We find that the functionalization of graphene edges is an essential prerequisite for intercalation since bare edges reconstruct and reconnect, closing off the entry channels for the atoms.

  5. Mild sonochemical exfoliation of bromine-intercalated graphite: a new route towards graphene

    Energy Technology Data Exchange (ETDEWEB)

    Widenkvist, E; Lu, J; Jansson, U [Department of Materials Chemistry, Uppsala University, BOX 538, SE-752 21 Uppsala (Sweden); Boukhvalov, D W; Katsnelson, M I [Institute for Molecules and Materials, Radboud University of Nijmegen, 6525 ED Nijmegen (Netherlands); Rubino, S; Akhtar, S; Leifer, K [Department of Engineering Sciences, Division for Electron Microscopy and Nanoengineering, Uppsala University BOX 534, SE-752 21 Uppsala (Sweden); Quinlan, R A [Department of Applied Science, The College of William and Mary, 325 McGlothin Street Hall, Williamsburg, VA 23187 (United States); Grennberg, H [Department of Biochemistry and Organic Chemistry Uppsala University, BOX 576, SE- 751 23 Uppsala (Sweden)], E-mail: ulf.jansson@mkem.uu.se

    2009-06-07

    A method to produce suspensions of graphene sheets by combining solution-based bromine intercalation and mild sonochemical exfoliation is presented. Ultrasonic treatment of graphite in water leads to the formation of suspensions of graphite flakes. The delamination is dramatically improved by intercalation of bromine into the graphite before sonication. The bromine intercalation was verified by Raman spectroscopy as well as by x-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations show an almost ten times lower interlayer binding energy after introducing Br{sub 2} into the graphite. Analysis of the suspended material by transmission and scanning electron microscopy (TEM and SEM) revealed a significant content of few-layer graphene with sizes up to 30 {mu}m, corresponding to the grain size of the starting material. (fast track communication)

  6. Preparation and characterization of trans-RhCl(CO)(TPPTS)2-intercalated layered double hydroxides

    International Nuclear Information System (INIS)

    Zhang Xian; Wei Min; Pu Min; Li Xianjun; Chen Hua; Evans, David G.; Duan Xue

    2005-01-01

    trans-RhCl(CO)(TPPTS) 2 (TPPTS=tris(m-sulfonatophenyl)phosphine) has been intercalated into Zn-Al layered double hydroxides (LDHs) by the method of ion exchange. The structure, composition and thermal stability of the composite material have been characterized by powder X-ray diffraction, Fourier transform infrared and 31 P solid-state magic-angle spinning nuclear magnetic resonance spectroscopy, elemental analysis, thermogravimetry, and differential thermal analysis. The geometry of trans-RhCl(CO)(TPPTS) 2 was fully optimized using the PM3 semiempirical molecular orbital method, and a schematic model for the intercalated species has been proposed. The thermal stability of trans-RhCl(CO)(TPPTS) 2 is significantly enhanced by intercalation, which suggests that such materials may have prospective application as the basis of a supported catalyst system for the hydroformylation of higher olefins

  7. High density intercalation of porphyrin into transparent clay membrane without aggregation.

    Science.gov (United States)

    Fujimura, Takuya; Shimada, Tetsuya; Hamatani, Satoshi; Onodera, Shingo; Sasai, Ryo; Inoue, Haruo; Takagi, Shinsuke

    2013-04-23

    Cationic porphyrin was successfully intercalated into transparent clay membrane by developing the new strategy for the sample preparation conditions. When water:ethanol = 1:2 (v:v) was used as solvent for porphyrin penetration process, high density intercalation of porphyrin into the clay membrane was achieved. In the interlayer space, porphyrin molecules do not aggregate owing to intercharge distance matching effect (size-matching effect), even at high density condition. Judging from XRD and absorption measurements, the orientations of the porphyrins in the clay layers should be almost parallel to the clay nanosheet as monolayer. Because the fluorescence quantum yield did not depend on its loading level, it is turned out that intercalated TMPyP in the clay film keeps the photoactivity even under the high density conditions.

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

    International Nuclear Information System (INIS)

    Keller, Ray; Shook, David; Skoglund, Paul

    2008-01-01

    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

  9. X-ray Spectroscopy and Imaging as Multiscale Probes of Intercalation Phenomena in Cathode Materials

    Science.gov (United States)

    Horrocks, Gregory A.; De Jesus, Luis R.; Andrews, Justin L.; Banerjee, Sarbajit

    2017-09-01

    Intercalation phenomena are at the heart of modern electrochemical energy storage. Nevertheless, as out-of-equilibrium processes involving concomitant mass and charge transport, such phenomena can be difficult to engineer in a predictive manner. The rational design of electrode architectures requires mechanistic understanding of physical phenomena spanning multiple length scales, from atomistic distortions and electron localization at individual transition metal centers to phase inhomogeneities and intercalation gradients in individual particles and concentration variances across ensembles of particles. In this review article, we discuss the importance of the electronic structure in mediating electrochemical storage and mesoscale heterogeneity. In particular, we discuss x-ray spectroscopy and imaging probes of electronic and atomistic structure as well as statistical regression methods that allow for monitoring of the evolution of the electronic structure as a function of intercalation. The layered α-phase of V2O5 is used as a model system to develop fundamental ideas on the origins of mesoscale heterogeneity.

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

    Science.gov (United States)

    Y. A. Kaassis, Abdessamad; 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.

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

    Science.gov (United States)

    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.)

  12. Enhancing the efficiency of lithium intercalation in carbon nanotube bundles using surface functional groups.

    Science.gov (United States)

    Xiao, Shiyan; Zhu, Hong; Wang, Lei; Chen, Liping; Liang, Haojun

    2014-08-14

    The effect of surface functionalization on the ability and kinetics of lithium intercalation in carbon nanotube (CNT) bundles has been studied by comparing the dynamical behaviors of lithium (Li) ions in pristine and -NH2 functionalized CNTs via ab initio molecular dynamics simulations. It was observed that lithium intercalation has been achieved quickly for both the pristine and surface functionalized CNT bundle. Our calculations demonstrated for the first time that CNT functionalization improved the efficiency of lithium intercalation significantly at both low and high Li ion density. Moreover, we found that keeping the nanotubes apart with an appropriate distance and charging the battery at a rational rate were beneficial to achieve a high rate of lithium intercalation. Besides, the calculated adsorption energy curves indicated that the potential wells in the system of -NH2 functionalized CNT were deeper than that of the pristine CNT bundle by 0.74 eV, and a third energy minimum with a value of 2.64 eV existed at the midpoint of the central axis of the nanotube. Thus, it would be more difficult to remove Li ions from the nanotube interior after surface functionalization. The barrier for lithium diffusion in the interior of the nanotube is greatly decreased because of the surface functional groups. Based on these results, we would suggest to "damage" the nanotube by introducing defects at its sidewall in order to improve not only the capacity of surface functionalized CNTs but also the efficiency of lithium intercalation and deintercalation processes. Our results presented here are helpful in understanding the mechanism of lithium intercalation into nanotube bundles, which may potentially be applied in the development of CNT based electrodes.

  13. Layered double hydroxides as supports for intercalation and sustained release of antihypertensive drugs

    International Nuclear Information System (INIS)

    Xia Shengjie; Ni Zheming; Xu Qian; Hu Baoxiang; Hu Jun

    2008-01-01

    Zn/Al layered double hydroxides (LDHs) were intercalated with the anionic antihypertensive drugs Enalpril, Lisinopril, Captopril and Ramipril by using coprecipitation or ion-exchange technique. TG-MS analyses suggested that the thermal stability of Ena - , Lis - (arranged with monolayer, resulted from X-ray diffraction (XRD) and Fourier transform infrared spectra (FT-IR) analysis was enhanced much more than Cap - and Ram - (arranged with bilayer). The release studies show that the release rate of all samples markedly decreased in both pH 4.25 and 7.45. However, the release time of Ena - , Lis - were much longer compared with Cap - , Ram - in both pH 4.25 and 7.45, it is possible that the intercalated guests, arranged with monolayer in the interlayer, show lesser repulsive force and strong affinity with the LDH layers. And the release data followed both the Higuchi-square-root law and the first-order equation well. Based on the analysis of batch release, intercalated structural models as well as the TG-DTA results, we conclude that for drug-LDH, stronger the affinity between intercalated anions and the layers is, better the thermal property and the stability to the acid attack of drug-LDH, and the intercalated anions are easier apt to monolayer arrangement within the interlayer, were presented. - Graphical abstract: A series of antihypertensive drugs including Enalpril, Lisinopril, Captopril and Ramipril were intercalated into Zn/Al-NO 3 -LDHs successfully by coprecipitation or ion-exchange technique. We focus on the structure, thermal property and low/controlled release property of as-synthesized drug-LDH composite intended for the possibility of applying these LDH-antihypertensive nanohybrids in drug delivery and controlled release systems

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

    Energy Technology Data Exchange (ETDEWEB)

    Kaassis, Abdessamad Y.A. [UCL School of Pharmacy, University College London, 29-39 Brunswick Square, London WC1N 1AX (United Kingdom); Xu, Si-Min; Guan, Shanyue; Evans, David G. [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Wei, Min, E-mail: weimin@mail.buct.edu.cn [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Williams, Gareth R., E-mail: g.williams@ucl.ac.uk [UCL School of Pharmacy, University College London, 29-39 Brunswick Square, London WC1N 1AX (United Kingdom)

    2016-06-15

    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 [Co{sub 1.2}Zn{sub 3.8}(OH){sub 8}](NO{sub 3}){sub 2}·2H{sub 2}O (CoZn-NO{sub 3}), [Ni{sub 2}Zn{sub 3}(OH){sub 8}](NO{sub 3}){sub 2}·2H{sub 2}O (NiZn-NO{sub 3}) and [Zn{sub 5}(OH){sub 8}](NO{sub 3}){sub 2}·2H{sub 2}O (Zn-NO{sub 3}). It proved possible to intercalate diclofenac and naproxen into all three HDSs. In contrast, Val could be intercalated into CoZn-NO{sub 3} but when it was reacted with Zn-NO{sub 3} 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-NO{sub 3} and Zn-NO{sub 3} is mechanistically complex, with a number of intermediate phases observed. In contrast, the intercalation of all three guests into NiZn-NO{sub 3} and of Val into CoZn-NO{sub 3} 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. - Graphical abstract: Seven new drug intercalates of hydroxy double salts (HDSs) have been prepared and characterised. The intercalation mechanisms have been explored, and the drug release properties of the HDS/drug composites quantified. Display Omitted.

  15. Direct synthesis of lithium-intercalated graphene for electrochemical energy storage application.

    Science.gov (United States)

    Kumar, Ashavani; Reddy, Arava Leela Mohana; Mukherjee, Arnab; Dubey, Madan; Zhan, Xiaobo; Singh, Neelam; Ci, Lijie; Billups, W Edward; Nagurny, John; Mital, Gandhi; Ajayan, Pulickel M

    2011-06-28

    A novel approach for bulk synthesis of lithium-intercalated graphene sheets through the reduction of exfoliated graphene oxide in liquid ammonia and lithium metal is reported. It is demonstrated here that as-synthesized lithiated graphite oxide sheets (Li-RGO) can be directly used as an electrode material in lithium batteries. The electrochemical studies on Li-RGO electrodes show a significant enhancement in the specific capacity of the lithium battery over commercially available graphite electrodes. Partial intercalation of lithium ions in between graphene layers makes this material a good candidate for electrochemical energy storage applications.

  16. Sensors properties of an alkylamine-intercalated kaolinite material towards the voltammetric preconcentration of [Ru(CN)6]4- at a clay-modified electrode

    Energy Technology Data Exchange (ETDEWEB)

    Tonle, I.K. [Ottawa Univ., ON (Canada). Dept. of Chemistry, Center for Catalysis Research and Innovation; Yanoude Univ. (Cameroon). Laboratoire de Chimie Analytique, Faculte des Sciences; Dschang Univ. (Cameroon). Dept. de Chimie; Bouwe, B.; Rose, G.; Ngameni, E. [Yanoude Univ. (Cameroon). Laboratoire de Chimie Analytique, Faculte des Sciences; Detellier, C. [Yanoude Univ. (Cameroon). Laboratoire de Chimie Analytique, Faculte des Sciences

    2008-07-01

    This study discussed the sensor properties of a kaolinite material in relation to the voltammetric preconcentration of ruthenium (Ru) anions in a clay-modified electrode. An organoclay was intercalated at room temperature with a layer of hexylamine. Dimethylsulfoxide (DMSO) was intercalated between the clay layers and displaced in wet conditions by the akylamine. The modified clay was then characterized using X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR). The analyses confirmed the incorporation of the hexylamine between the kaolinite platelets. The organokaolinite was then studied for use as a preconcentration agent when coated on the active surface of a glassy carbon electrode for the accumulation of [Ru(CN)6]4- anions in a hydrochloric acid medium. Factors that influenced the conductivity of the film and the diffusion of the electroactive species within the film included the concentration of the electrolyte, and the redox probe. The study showed that kaolinite can be used as a material in electrochemical sensors.

  17. Evidence for the hERG Liability of Antihistamines, Antipsychotics, and Anti-Infective Agents: A Systematic Literature Review From the ARITMO Project.

    Science.gov (United States)

    Hazell, Lorna; Raschi, Emanuel; De Ponti, Fabrizio; Thomas, Simon H L; Salvo, Francesco; Ahlberg Helgee, Ernst; Boyer, Scott; Sturkenboom, Miriam; Shakir, Saad

    2017-05-01

    A systematic review was performed to categorize the hERG (human ether-a-go-go-related gene) liability of antihistamines, antipsychotics, and anti-infectives and to compare it with current clinical risk of torsade de pointes (TdP). Eligible studies were hERG assays reporting half-minimal inhibitory concentrations (IC50). A "hERG safety margin" was calculated from the IC50 divided by the peak human plasma concentration (free C max ). A margin below 30 defined hERG liability. Each drug was assigned an "uncertainty score" based on volume, consistency, precision, and internal and external validity of evidence. The hERG liability was compared to existing knowledge on TdP risk (www.credibledrugs.org). Of 1828 studies, 82 were eligible, allowing calculation of safety margins for 61 drugs. Thirty-one drugs (51%) had evidence of hERG liability including 6 with no previous mention of TdP risk (eg, desloratadine, lopinavir). Conversely, 16 drugs (26%) had no evidence of hERG liability including 6 with known, or at least conditional or possible, TdP risk (eg, chlorpromazine, sulpiride). The main sources of uncertainty were the validity of the experimental conditions used (antihistamines and antipsychotics) and nonuse of reference compounds (anti-infectives). In summary, hERG liability was categorized for 3 widely used drug classes, incorporating a qualitative assessment of the strength of available evidence. Some concordance with TdP risk was observed, although several drugs had hERG liability without evidence of clinical risk and vice versa. This may be due to gaps in clinical evidence, limitations of hERG/C max data, or other patient/drug-specific factors that contribute to real-life TdP risk. © 2016, The American College of Clinical Pharmacology.

  18. Influence of Donor Atom Exchange and Intercalator Substitution

    OpenAIRE

    Hormann, Jan

    2016-01-01

    Cancer is among the two leading causes of death worldwide. While mutations of DNA are causing cancer, wilful modification of the DNA structure and its damage can cause death of cancer cells. In this fashion the DNA alkylating agent cisplatin has been used for the treatment of cancer since 1978. Dose-limiting side effects and the increasing resistance of some cancer types against certain drugs call for the development of novel treatments. Among the candidates of such new drugs are metallonucle...

  19. Antibiotic Agents

    Science.gov (United States)

    ... Superbugs and Drugs" Home | Contact Us General Background: Antibiotic Agents What is an antibacterial and how are ... with the growth and reproduction of bacteria. While antibiotics and antibacterials both attack bacteria, these terms have ...

  20. Intercalation and desorption of oxygen between graphene and Ru(0001) studied with helium ion scattering

    Science.gov (United States)

    Li, Tianbai; Yarmoff, Jory A.

    2017-10-01

    Graphene is a fascinating two-dimensional material that is being widely investigated for use in electronic devices due to its unique electronic and materials properties. Also, because of its high thermal stability and inertness, it is considered a promising candidate for use as a protection layer for metal substrates. Here, graphene films grown on Ru(0001) are held at 600 K while exposed to oxygen (O2) and then investigated with helium low-energy ion scattering (LEIS). LEIS spectra collected at different scattering angles confirm that oxygen does not adsorb to graphene but instead intercalates between the graphene and the substrate. The intercalated O2 desorbs when the sample is annealed to 800 K. It is shown that this is a much lower temperature than is needed to remove chemisorbed atomic oxygen from Ru, thus inferring that the intercalated oxygen is molecular. During the desorption process, some of the graphene is etched away via a chemical reaction with the oxygen, with the proportion desorbing as O2 or reacting to etch the graphene being dependent on the amount of intercalated O2.

  1. Intercalates of strontium phenylphosphonate with alcohols - Structure analysis by experimental and molecular modeling methods

    Czech Academy of Sciences Publication Activity Database

    Zima, Vítězslav; Melánová, Klára; Kovář, P.; Beneš, L.; Svoboda, Jan; Pospíšil, M.; Růžička, A.

    2015-01-01

    Roč. 2015, č. 9 (2015), s. 1552-1561 ISSN 1434-1948 R&D Projects: GA ČR(CZ) GA14-13368S Institutional support: RVO:61389013 Keywords : layered compounds * intercalation * molecular modeling Subject RIV: CA - Inorganic Chemistry Impact factor: 2.686, year: 2015

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

    International Nuclear Information System (INIS)

    Wang, Yi; Zhang, Dun

    2012-01-01

    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.

  3. Effects of pH and concentration on ability of Cl and NO to intercalate ...

    Indian Academy of Sciences (India)

    Wintec

    in solution would facilitate the anions' reactions with Mg and Al species to form HTs, resulting in a high de- gree of anion intercalation into the interlayer ... and aromatic compounds from aqueous solutions (Kameda et al 2005a, b, 2006). ..... Lazaridis N K 2003 Water Air and Soil Pollution 146 127. Lukashin A V, Kalinin S V, ...

  4. Electronic properties of Cs-intercalated single-walled carbon nanotubes derived from nuclear magnetic resonance

    KAUST Repository

    Abou-Hamad, E

    2011-05-24

    We report on the electronic properties of Cs-intercalated single-walled carbon nanotubes (SWNTs). A detailed analysis of the 13C and 133Cs nuclear magnetic resonance (NMR) spectra reveals an increased metallization of the pristine SWNTs under Cs intercalation. The \\'metallization\\' of CsxC materials where x=0–0.144 is evidenced from the increased local electronic density of states (DOS) n(EF) at the Fermi level of the SWNTs as determined from spin–lattice relaxation measurements. In particular, there are two distinct electronic phases called α and β and the transition between these occurs around x=0.05. The electronic DOS at the Fermi level increases monotonically at low intercalation levels x<0.05 (α-phase), whereas it reaches a plateau in the range 0.05≤x≤0.143 at high intercalation levels (β-phase). The new β-phase is accompanied by a hybridization of Cs(6s) orbitals with C(sp2) orbitals of the SWNTs. In both phases, two types of metallic nanotubes are found with a low and a high local n(EF), corresponding to different local electronic band structures of the SWNTs.

  5. Concerted intercalation and minor groove recognition of DNA by a homodimeric thiazole orange dye

    DEFF Research Database (Denmark)

    Bunkenborg, Jakob; Gadjev, N I; Deligeorgiev, T

    2000-01-01

    The thiazole orange dye TOTO binds to double-stranded DNA (dsDNA) by a sequence selective bis-intercalation. Each chromophore is sandwiched between two base pairs in a (5'-CpT-3'):(5'-ApG-3') site, and the linker spans two base pairs in the minor groove. We have used one- and two-dimensional NMR ...

  6. Enhancement of the fluorescence intensity of DNA intercalators using nano-imprinted 2-dimensional photonic crystal

    International Nuclear Information System (INIS)

    Endo, Tatsuro; Ueda, China; Hisamoto, Hideaki; Kajita, Hiroshi; Okuda, Norimichi; Tanaka, Satoru

    2013-01-01

    We have fabricated polymer-based 2-dimensional photonic crystals that play a key role in enhancing the fluorescence of DNA intercalators. Highly ordered 2-dimensional photonic crystals possessing triangle-shaped and nm-sized hole arrays were fabricated on a 100 μm thick polymer film using nano-imprint lithography. Samples of double-stranded DNAs (sizes: 4361 and 48502 bp; concentration: 1 pM to 10 nM) were adsorbed on the surface of the 2-dimensional photonic crystal by electrostatic interactions and then treated with intercalators. It is found that the fluorescence intensity of the intercalator is enhanced by a factor of up to 10 compared to the enhancement in the absence of the 2-dimensional photonic crystal. Fluorescence intensity increases with increasing length and concentration of the DNAs. If the 2-dimensional photonic crystal is used as a Bragg reflection mirror, the enhancement of fluorescence intensity can be easily observed using a conventional spectrofluorometer. These results suggest that the printed photonic crystal offers a great potential for highly sensitive intercalator-based fluorescent detection of DNAs. (author)

  7. Structural consequences of hydrogen intercalation of epitaxial graphene on SiC(0001)

    Energy Technology Data Exchange (ETDEWEB)

    Emery, Jonathan D., E-mail: jdemery@anl.gov, E-mail: bedzyk@northwestern.edu; Johns, James E.; McBriarty, Martin E.; Hersam, Mark C. [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States); Wheeler, Virginia H.; Kurt Gaskill, D. [U.S. Naval Research Laboratory, Washington, DC 20375 (United States); Detlefs, Blanka [ESRF—The European Synchrotron, CS 40220, 71, Avenue des Martyrs, 38043 Grenoble (France); Bedzyk, Michael J., E-mail: jdemery@anl.gov, E-mail: bedzyk@northwestern.edu [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States); Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60208 (United States)

    2014-10-20

    The intercalation of various atomic species, such as hydrogen, to the interface between epitaxial graphene (EG) and its SiC substrate is known to significantly influence the electronic properties of the graphene overlayers. Here, we use high-resolution X-ray reflectivity to investigate the structural consequences of the hydrogen intercalation process used in the formation of quasi-free-standing (QFS) EG/SiC(0001). We confirm that the interfacial layer is converted to a layer structurally indistinguishable from that of the overlying graphene layers. This newly formed graphene layer becomes decoupled from the SiC substrate and, along with the other graphene layers within the film, is vertically displaced by ∼2.1 Å. The number of total carbon layers is conserved during the process, and we observe no other structural changes such as interlayer intercalation or expansion of the graphene d-spacing. These results clarify the under-determined structure of hydrogen intercalated QFS-EG/SiC(0001) and provide a precise model to inform further fundamental and practical understanding of the system.

  8. Preparation of Fe-intercalated Graphite Based on Coal Tailings, Dimensional Structure

    Directory of Open Access Journals (Sweden)

    Irfan Gustian

    2015-12-01

    Full Text Available Intercalated graphite from coal tailings have been modified through the intercalation of iron. Coal tailings which is a byproduct of the destruction process and flakes washing results from mining coal. Intercalation of iron goal is to improve the physical properties of graphite and modifying sizes of crystal lattice structure with thermal method. Modification process begins with the carbonization of coal tailings at 500ºC and activated with phosphoric acid. Activation process has done by pyrolysis at 700ºC. The results of pyrolysis was soaked in mineral oil for 24 hours, then pyrolysis again with variations in temperature 800°C and 900ºC for 1 hour and subsequent intercalation iron at 1% and 2%. Material before activated, after activated, and the results of pyrolysis still indicates order nano: 29, 25 and 36 nm respectively. X-ray diffraction characterization results indicate that change in the structure, the sizes crystal lattice structure of the material The greater the concentration of iron was added, the resulting peak at 2θ = 33 and 35 also will be more sharply. The results of SEM showed different morphologies from each treatment.

  9. Synthesis and characterization of laurate-intercalated Mg–Al layered double hydroxide prepared by coprecipitation

    DEFF Research Database (Denmark)

    Gerds, Nathalie Christiane; Katiyar, Vimal; Koch, Christian Bender

    2012-01-01

    Effective utilization of layered double hydroxides (LDH) for industrial applications requires the synthesis of pure and well-defined LDH phases. In the present study, dodecanoate (laurate) anions were intercalated into Mg–Al-layered double hydroxide (LDH-C12) by coprecipitation in the presence...

  10. The Facile Synthesis of N-Aryl Isoxazolones as DNA Intercalators ...

    African Journals Online (AJOL)

    NICO

    2012-02-20

    Feb 20, 2012 ... Chemistry Department, Islamic Azad University, Khoy Branch, Khoy, Iran. Received 9 December 2011, revised ... These compounds have potential applications as DNA intercalators. KEYWORDS. Isoxazolones ... Isoxazolones derivatives are important heterocyclic compounds with a wide range of reported ...

  11. Silver intercalation in SPS dense TiS2: staging and thermoelectric properties.

    Science.gov (United States)

    Barbier, Tristan; Lebedev, Oleg I; Roddatis, Vladimir; Bréard, Yohann; Maignan, Antoine; Guilmeau, Emmanuel

    2015-05-07

    Polycrystalline samples in the series AgxTiS2 with x varying from 0 to 0.2 were prepared using solid-liquid-vapor reaction and spark plasma sintering. Depending on the x content, it is found that different stages can occur with intercalation, from the so-called 1T-TiS2 (stage 1) to ordered Ag1/6TiS2 (stage 2). Randomly intercalated Ag cations in the van der Waals gap of stage 1 and stage 2 based TiS2 structures induce a strong decrease of lattice thermal conductivity through structural disorder. A decrease in electrical resistivity and the absolute value of the Seebeck coefficient with increasing Ag content supports also the charge transfer to the Ti 3d conduction band, enhancing the power factor in the specific temperature range. Thus, the combined effects of Ag intercalation are beneficial to the improvement in ZT, reaching around 0.45 at 700 K in Ag intercalated compounds.

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

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yi [Shandong Provincial Key Lab of Corrosion Science, Institute of Oceanology, Chinese Academy of Sciences, Qingdao 266071 (China); Zhang, Dun, E-mail: zhangdun@qdio.ac.cn [Shandong Provincial Key Lab of Corrosion Science, Institute of Oceanology, Chinese Academy of Sciences, Qingdao 266071 (China)

    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.

  13. Influence of water contamination and conductive additives on the intercalation of lithium into graphite

    Energy Technology Data Exchange (ETDEWEB)

    Joho, F.; Rykart, B.; Novak, P. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Spahr, M.E.; Monnier, A. [Timcal AG, Sins (Switzerland)

    1999-08-01

    The irreversible charge loss in the first cycle of lithium intercalation into graphite electrodes for lithium-ion batteries is discussed as a function of water contamination of the electrolyte solution. Furthermore, the improvement of the electrode cycle life due to conductive additives to graphite is demonstrated. (author) 5 figs., 3 refs.

  14. Synthesis and Characterization of Vanadyl Phosphate Intercalated with Dioxane,, Trioxane and 18 - Crown - 6

    Czech Academy of Sciences Publication Activity Database

    Beneš, Ludvík; Zima, Vítězslav; Melánová, Klára; Trchová, M.; Čapková, P.; Koudelka, B.; Matějka, P.

    xx, č. 14 (2002), s. 2788-2795 ISSN 0897-4756 R&D Projects: GA ČR GA202/01/0520 Institutional research plan: CEZ:AV0Z4050913 Keywords : vanadyl phosphate * intercalation * cyclic ethers Subject RIV: CA - Inorganic Chemistry Impact factor: 3.967, year: 2002

  15. Effect of friction on oxidative graphite intercalation and high-quality graphene formation.

    Science.gov (United States)

    Seiler, Steffen; Halbig, Christian E; Grote, Fabian; Rietsch, Philipp; Börrnert, Felix; Kaiser, Ute; Meyer, Bernd; Eigler, Siegfried

    2018-02-26

    Oxidative wet-chemical delamination of graphene from graphite is expected to become a scalable production method. However, the formation process of the intermediate stage-1 graphite sulfate by sulfuric acid intercalation and its subsequent oxidation are poorly understood and lattice defect formation must be avoided. Here, we demonstrate film formation of micrometer-sized graphene flakes with lattice defects down to 0.02% and visualize the carbon lattice by transmission electron microscopy at atomic resolution. Interestingly, we find that only well-ordered, highly crystalline graphite delaminates into oxo-functionalized graphene, whereas other graphite grades do not form a proper stage-1 intercalate and revert back to graphite upon hydrolysis. Ab initio molecular dynamics simulations show that ideal stacking and electronic oxidation of the graphite layers significantly reduce the friction of the moving sulfuric acid molecules, thereby facilitating intercalation. Furthermore, the evaluation of the stability of oxo-species in graphite sulfate supports an oxidation mechanism that obviates intercalation of the oxidant.

  16. Highly Efficient Iodine Capture by Layered Double Hydroxides Intercalated with Polysulfides

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Shulan; Islam, Saiful M.; Shim, Yurina; Gu, Qingyang; Wang, Pengli; Li, Hao; Sun, Genban; Yang, Xiaojing; Kanatzidis, Mercouri G.

    2014-12-23

    We demonstrate strong iodine (I-2) vapor adsorption using Mg/Al layered double hydroxide (MgAl-LDH) nanocomposites intercalated with polysulfide (S-x(2-)) groups (S-x-LDH, x = 2, 4, 6). The as-prepared LDH/polysulfide hybrid materials display highly efficient iodine capture resulting from the reducing property of the intercalated polysulfides. During adsorption, the I-2 molecules are reduced to I-3(-) anions by the intercalated [S-x](2-) groups that simultaneously are oxidized to form S8. In addition to the chemical adsorption, additional molecular I-2 is physically captured by the LDH composites. As a result of these parallel processes, and despite their very low BET surface areas, the iodine capture capacities of S-2-LDH, S-4-LDH, and S-6-LDH are similar to 1.32, 1.52, and 1.43 g/g, respectively, with a maximum adsorption of 152% (wt %). Thermogravimetric and differential thermal analysis (TG-DTA), energy dispersive X-ray spectroscopy (EDS), and temperature-variable powder X-ray diffraction (XRD) measurements show the resulting I-3(-) ions that intercalated into the LDH gallery have high thermal stability (>= 350 degrees C). The excellent iodine adsorption performance combined with the facile preparation points to the S-x-LDH systems as potential superior materials for adsorption of radioactive iodine, a waste product of the nuclear power industry.

  17. Thermal behavior of tetrahydropyran-intercalated VOPO4: Structural and Dynamics Study

    Czech Academy of Sciences Publication Activity Database

    Melánová, Klára; Beneš, L.; Zima, Vítězslav; Černošková, E.; Brus, Jiří; Urbanová, Martina; Trchová, Miroslava; Dybal, Jiří

    2007-01-01

    Roč. 2007, č. 3 (2007), s. 444-451 ISSN 1434-1948 R&D Projects: GA AV ČR IAA400500602 Institutional research plan: CEZ:AV0Z40500505 Keywords : intercalations Subject RIV: CA - Inorganic Chemistry Impact factor: 2.597, year: 2007

  18. DL-mandelic acid intercalated Zn-Al layered double hydroxide: A novel antimicrobial layered material.

    Science.gov (United States)

    Tang, Li-Ping; Cheng, Hui-Min; Cui, Shu-Mei; Wang, Xin-Rui; Song, Li-Ya; Zhou, Wei; Li, Shu-Jing

    2018-02-12

    DL-mandelic acid (MA) has been intercalated into Zn-Al layered double hydroxide (LDH) by an anion-exchange reaction. After intercalation of MA anions, the basal spacing of the LDH increased from 0.75 to 1.46 nm, suggesting that the MA anions were successfully intercalated into the interlayer galleries of the LDH. The structure and the thermal stability of the samples were characterized by XRD, FT-IR, TG-DTA. Studies of MA release from ZnAl-MA-LDH in hydrochloric solution (pH = 4) imply that ZnAl-MA-LDH is a better controlled release system than pure MA. Meanwhile, the mechanisms of slow release were assessed by using four commonly kinetic models. Finally, the antimicrobial activity of ZnAl-MA-LDH was tested against two kinds of bacteria and a fungus. The study confirms that the mandelic ions intercalated LDHs have the potential application as a slow release preservative in the future. Copyright © 2018 Elsevier B.V. All rights reserved.

  19. Layered hydroxides intercalated with organic anions and their application in preparation of LDH/polymer nanocomposites

    Czech Academy of Sciences Publication Activity Database

    Kovanda, F.; Jindová, E.; Doušová, B.; Koloušek, D.; Pleštil, Josef; Sedláková, Zdeňka

    2009-01-01

    Roč. 6, č. 1 (2009), s. 111-119 ISSN 1214-9705 R&D Projects: GA AV ČR KAN100500651 Institutional research plan: CEZ:AV0Z40500505 Keywords : hydrotalcite * layered double hydroxides * intercalation Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.275, year: 2009

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

    Science.gov (United States)

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

    2012-01-01

    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 C6CaC6 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. PMID:23139407

  1. Structure of Lu3+ and La3+ ions intercalated within layered clays as determined by EXAFS

    International Nuclear Information System (INIS)

    Munoz-Paez, A.; Alba, M.D.; Alvero, R.; Becerro, A.I.; Castro, M.A.; Trillo, J.M.

    1995-01-01

    La 3+ and Lu 3+ ions are intercalated within the interlamellar space of montmorillonite as aquocomplexes. Heating at 700 C for 6 h induces a structural change around the lanthanide ions resulting in the formation of oxide-type environments. The change is complete only for the lutetium sample, which is consistent with the lower value of the dehydration enthalpy of this cation. ((orig.))

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

    Science.gov (United States)

    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. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  3. Electronic properties and orbital-filling mechanism in Rb-intercalated copper phthalocyanine

    NARCIS (Netherlands)

    Evangelista, F.; Gotter, R.; Mahne, N.; Nannarone, S.; Ruocco, A.; Rudolf, P.

    2008-01-01

    The evolution of the electronic properties of a thin film of copper phthalocyanine deposited on Al(100) and progressively intercalated with rubidium atoms was followed by photoemission and X-ray absorption spectroscopies. Electron donation from the Rb atoms to the C32H16N8Cu molecules results in the

  4. In-situ studies of iodine intercalation in pentacene thin films and single crystals

    Science.gov (United States)

    Haas, S.; Batlogg, B.

    2004-03-01

    One approach to create a finite charge density in organic molecular semiconductors is bulk chemical doping with intercalated charge donors, which is expected, at suitable doping levels, to induce an insulator-to-metal transition. We report on in-situ, time resolved measurements of iodine intercalation in pentacene single crystals and thin films by means of X-ray diffraction and four- and two-terminal electrical resistivity measurements. The iodine vapor pressure was varied between 0.03 and 0.26 torr, while the samples were mostly held at room temperature. Both intercalated single crystals and films show an enhanced interlayer spacing (d_001) of 19.2 Å and 19.4 Årespectively. The resistivity is decreased by several orders of magnitude, thin films showing a near-metallic low temperature behaviour. The iodine is de-intercalated by continuous pumping and sample heating. This results in thin films in a structural change: The 14.4 Å bulk phase has disappeared and only the 15.4 Å thin film phase remains.

  5. Distribution of cardiac sodium channels in clusters potentiates ephaptic interactions in the intercalated disc.

    Science.gov (United States)

    Hichri, Echrak; Abriel, Hugues; Kucera, Jan P

    2018-02-15

    It has been proposed that ephaptic conduction, relying on interactions between the sodium (Na + ) current and the extracellular potential in intercalated discs, might contribute to cardiac conduction when gap junctional coupling is reduced, but this mechanism is still controversial. In intercalated discs, Na + channels form clusters near gap junction plaques, but the functional significance of these clusters has never been evaluated. In HEK cells expressing cardiac Na + channels, we show that restricting the extracellular space modulates the Na + current, as predicted by corresponding simulations accounting for ephaptic effects. In a high-resolution model of the intercalated disc, clusters of Na + channels that face each other across the intercellular cleft facilitate ephaptic impulse transmission when gap junctional coupling is reduced. Thus, our simulations reveal a functional role for the clustering of Na + channels in intercalated discs, and suggest that rearrangement of these clusters in disease may influence cardiac conduction. It has been proposed that ephaptic interactions in intercalated discs, mediated by extracellular potentials, contribute to cardiac impulse propagation when gap junctional coupling is reduced. However, experiments demonstrating ephaptic effects on the cardiac Na + current (I Na ) are scarce. Furthermore, Na + channels form clusters around gap junction plaques, but the electrophysiological significance of these clusters has never been investigated. In patch clamp experiments with HEK cells stably expressing human Na v 1.5 channels, we examined how restricting the extracellular space modulates I Na elicited by an activation protocol. In parallel, we developed a high-resolution computer model of the intercalated disc to investigate how the distribution of Na + channels influences ephaptic interactions. Approaching the HEK cells to a non-conducting obstacle always increased peak I Na at step potentials near the threshold of I Na activation

  6. Toxicity and Metabolism of Layered Double Hydroxide Intercalated with Levodopa in a Parkinson’s Disease Model

    Directory of Open Access Journals (Sweden)

    Aminu Umar Kura

    2014-04-01

    Full Text Available Layered hydroxide nanoparticles are generally biocompatible, and less toxic than most inorganic nanoparticles, making them an acceptable alternative drug delivery system. Due to growing concern over animal welfare and the expense of in vivo experiments both the public and the government are interested to find alternatives to animal testing. The toxicity potential of zinc aluminum layered hydroxide (ZAL nanocomposite containing anti-Parkinsonian agent may be determined using a PC 12 cell model. ZAL nanocomposite demonstrated a decreased cytotoxic effect when compared to levodopa on PC12 cells with more than 80% cell viability at 100 µg/mL compared to less than 20% cell viability in a direct levodopa exposure. Neither levodopa-loaded nanocomposite nor the un-intercalated nanocomposite disturbed the cytoskeletal structure of the neurogenic cells at their IC50 concentration. Levodopa metabolite (HVA released from the nanocomposite demonstrated the slow sustained and controlled release character of layered hydroxide nanoparticles unlike the burst uptake and release system shown with pure levodopa treatment.

  7. New insights into the intercalation chemistry of Al(OH)3.

    Science.gov (United States)

    Williams, Gareth R; Moorhouse, Saul J; Prior, Timothy J; Fogg, Andrew M; Rees, Nicholas H; O'Hare, Dermot

    2011-06-14

    This paper reports a number of recent developments in the intercalation chemistry of Al(OH)(3). From Rietveld refinement and solid-state NMR, it has been possible to develop a structural model for the recently reported [M(II)Al(4)(OH)(12)](NO(3))(2)·yH(2)O family of layered double hydroxides (LDHs). The M(2+) cations occupy half of the octahedral holes in the Al(OH)(3) layers, and it is thought that there is complete ordering of the metal ions while the interlayer nitrate anions are highly disordered. Filling the remainder of the octahedral holes in the layers proved impossible. While the intercalation of Li salts into Al(OH)(3) is facile, it was found that the intercalation of M(II) salts is much more capricious. Only with Co, Ni, Cu, and Zn nitrates and Zn sulfate were phase-pure LDHs produced. In other cases, there is either no reaction or a phase believed to be an LDH forms concomitantly with impurity phases. Reacting Al(OH)(3) with mixtures of M(II) salts can lead to the production of three-metal M(II)-M(II)'-Al LDHs, but it is necessary to control precisely the starting ratios of the two M(II) salts in the reaction gel because Al(OH)(3) displays selective intercalation of M nitrate (Li > Ni > Co ≈ Zn). The three-metal M(II)-M(II)'-Al LDHs exhibit facile ion exchange intercalation, which has been investigated in the first energy dispersive X-ray diffraction study of a chemical reaction system performed on Beamline I12 of the Diamond Light Source.

  8. Observation of Image Potential State in Oxygen Intercalated Graphene on Iridium by Two-Photon-Photoemission Spectroscopy

    Science.gov (United States)

    Lin, Yi; Li, Yunzhe; Sadowski, Jerzy; Dadap, Jerry; Jin, Wencan; Osgood, Richard

    In this talk, we report our experimental results on the first direct observation of image potential state (IPS) in oxygen-intercalated graphene on iridium by two-photo-photoemission spectroscopy. We demonstrate how oxygen intercalation influences the IPS in Gr/Ir and decouples the interlayer interaction. We present measurements of the electronic dispersion and work function in pristine Gr/Ir, oxygen-intercalated Gr/O/Ir, and deintercalated Gr/Ir. LEED patterns are measured during the pristine, oxygen-intercalated, and deintercalated phases of the Gr/Ir sample. Based on these measurements, relative to the pristine case, the work function and the energy location of n =1 IPS relative to the Fermi level increases by 0.39 eV and 0.3 eV, respectively, due to oxygen intercalation, whereas the effective mass of n =1 IPS is hardly influenced by the intercalation process. Moreover, we achieve the quenching and restoration of the resonance from Ir Rashba states to n =1 IPS in Gr/Ir by oxygen intercalation and deintercalation. This work was supported by the DOE, Office of Basic Energy Sciences, Division of MSE under Contract No. DE-FG 02-04-ER-46157. This research used resources of the CFN, which is the U.S. DOE Office of Science User Facility, under Contract No. DE-SC0012704.

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

    Energy Technology Data Exchange (ETDEWEB)

    Kowalski, G., E-mail: kowal@fuw.edu.pl; Tokarczyk, M. [Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warsaw (Poland); Dąbrowski, P.; Ciepielewski, P.; Możdżonek, M.; Strupiński, W. [Institute of Electronic Materials Technology, Wólczyńska 133, 01-919 Warsaw (Poland); Baranowski, J. M. [Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warsaw (Poland); Institute of Electronic Materials Technology, Wólczyńska 133, 01-919 Warsaw (Poland)

    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.

  10. Electrochemical lithium and sodium intercalation into the tantalum-rich layered chalcogenides Ta2Se and Ta2Te3

    International Nuclear Information System (INIS)

    Lavela, P.; Tirado, J.L.

    1999-01-01

    Two-layered tantalum chalcogenides are evaluated as alkali metal intercalation hosts in lithium and sodium electrochemical cells. The metal-rich pseudo-two-dimensional solid Ta 2 Se shows a poor intercalation behaviour. Lithium reacts with the selenide by deintercalating selenium from the blocks of Ta-related b.c.c. structure leading to a collapse of the structure and the formation of tantalum metal. Sodium is reversibly intercalated to a limited extent leading to complex structural changes in the selenide, as revealed by electron diffraction. The two-dimensional telluride Ta 2 Te 3 allows a topotactic intercalation of lithium below 1 F/mol, while a more extended reaction leads to sample amorphization. The better intercalation behaviour of this solid can be related with the one-atom thick metal layer and the van der Waals gap separating tellurium atoms of successive layers. Sodium can be reversibly intercalated into Ta 2 Te 3 in sodium cells which show a good cycling behaviour. Exposure of the intercalated solid to water vapour allows the preparation of hydrated products with a monolayer or a bilayer of water molecules solvating sodium in the interlayer space. (orig.)

  11. Controlled release formulation of an anti-depression drug based on a L-phenylalanate-zinc layered hydroxide intercalation compound

    Science.gov (United States)

    Hashim, Norhayati; Sharif, Sharifah Norain Mohd; Isa, Illyas Md; Hamid, Shahidah Abdul; Hussein, Mohd Zobir; Bakar, Suriani Abu; Mamat, Mazidah

    2017-06-01

    The intercalation of L-phenylalanate (LP) into the interlayer gallery of zinc layered hydroxide (ZLH) has been successfully executed using a simple direct reaction method. The synthesised intercalation compound, zinc layered hydroxide-L-phenylalanate (ZLH-LP), was characterised using PXRD, FTIR, CHNS, ICP-OES, TGA/DTG, FESEM and TEM. The PXRD patterns of the intercalation compound demonstrate an intense and symmetrical peak, indicating a well-ordered crystalline layered structure. The appearance of an intercalation peak at a low angle of 2θ with a basal spacing of 16.3 Å, signifies the successful intercalation of the L-phenylalanate anion into the interlayer gallery of the host. The intercalation is also validated by FTIR spectroscopy and CHNS elemental analysis. Thermogravimetric analysis confirms that the ZLH-LP intercalation compound has higher thermal stability than the pristine L-phenylalanine. The observed percentage of L-phenylalanate accumulated release varies in each release media, with 84.5%, 79.8%, 63.8% and 61.8% release in phosphate buffer saline (PBS) solution at pH 4.8, deionised water, PBS solution at pH 7.4 and NaCl solution, respectively. The release behaviour of LP from its intercalation compounds in deionised water and PBS solution at pH 4.8 follows pseudo second order, whereas in NaCl solution and PBS solution at pH 7.4, it follows the parabolic diffusion model. This study shows that the synthesised ZLH-LP intercalation compound can be used for the formation of a new generation of materials for targeted drug release with controlled release properties.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  13. Amblyomma americanum (Acari: Ixodidae) Ticks Are Not Vectors of the Lyme Disease Agent, Borrelia burgdorferi (Spirocheatales: Spirochaetaceae): A Review of the Evidence.

    Science.gov (United States)

    Stromdahl, Ellen Y; Nadolny, Robyn M; Hickling, Graham J; Hamer, Sarah A; Ogden, Nicholas H; Casal, Cory; Heck, Garrett A; Gibbons, Jennifer A; Cremeans, Taylor F; Pilgard, Mark A

    2018-01-31

    In the early 1980s, Ixodes spp. ticks were implicated as the key North American vectors of Borrelia burgdorferi (Johnson, Schmid, Hyde, Steigerwalt and Brenner) (Spirocheatales: Spirochaetaceae), the etiological agent of Lyme disease. Concurrently, other human-biting tick species were investigated as potential B. burgdorferi vectors. Rashes thought to be erythema migrans were observed in patients bitten by Amblyomma americanum (L.) (Acari: Ixodidae) ticks, and spirochetes were visualized in a small percentage of A. americanum using fluorescent antibody staining methods, sparking interest in this species as a candidate vector of B. burgdorferi. Using molecular methods, the spirochetes were subsequently described as Borrelia lonestari sp. nov. (Spirocheatales: Spirochaetaceae), a transovarially transmitted relapsing fever Borrelia of uncertain clinical significance. In total, 54 surveys from more than 35 research groups, involving more than 52,000 ticks, have revealed a low prevalence of B. lonestari, and scarce B. burgdorferi, in A. americanum. In Lyme disease-endemic areas, A. americanum commonly feeds on B. burgdorferi-infected hosts; the extremely low prevalence of B. burgdorferi in this tick results from a saliva barrier to acquiring infection from infected hosts. At least nine transmission experiments involving B. burgdorferi in A. americanum have failed to demonstrate vector competency. Advancements in molecular analysis strongly suggest that initial reports of B. burgdorferi in A. americanum across many states were misidentified B. lonestari, or DNA contamination, yet the early reports continue to be cited without regard to the later clarifying studies. In this article, the surveillance and vector competency studies of B. burgdorferi in A. americanum are reviewed, and we conclude that A. americanum is not a vector of B. burgdorferi. Published by Oxford University Press on behalf of Entomological Society of America 2018. This work is written by (a) US

  14. Reaction of the (111) faces of single-crystal indium phosphide with alkylating agents: evidence for selective reaction of the p-rich face

    Energy Technology Data Exchange (ETDEWEB)

    Spool, A.M.; Daube, K.A.; Mallouk, T.E.; Belmont, J.A.; Wrighton, M.S.

    1986-05-28

    We wish to report that the P-rich, (111)B, face of single-crystal InP, but not the In-rich, (111)A, face of the same crystal, reacts with molecular reagents to yield surface-bound material derived from the apparent alkylation of a surface P atom. Exploitation of surface functional groups has been demonstrated to be very important in the attachment of molecular reagents and polymers to electrode surfaces. Electrodes derivatized with molecules have potential uses in analysis, fuel cells, electrosynthetic cells, and photoelectrochemical cells. We now wish to present evidence showing that an important photoelectrode material, InP, can be functionalized with molecules by reaction of the P-rich, (111)B, face with alkylating reagents.

  15. In vitro evaluation of antimicrobial agents on Acanthamoeba sp. and evidence of a natural resilience to amphotericin B

    Directory of Open Access Journals (Sweden)

    Alexandre Taravaud

    2017-12-01

    to intrinsic antiacanthamoebal activity. Keywords: Acanthamoeba sp., Antimicrobial agents, Amphotericin B, Resilience

  16. Effect of adsorbed/intercalated anionic dyes into the mechanical properties of PVA: layered zinc hydroxide nitrate nanocomposites.

    Science.gov (United States)

    Marangoni, Rafael; Mikowski, Alexandre; Wypych, Fernando

    2010-11-15

    Zinc hydroxide nitrate (ZHN) was adsorbed with anions of blue dyes (Chicago sky blue, CSB; Evans blue, EB; and Niagara blue, NB) and intercalated with anions of orange dyes (Orange G, OG; Orange II, OII; methyl orange, MO). Transparent, homogeneous and colored nanocomposite films were obtained by casting after dispersing the pigments (dye-intercalated/adsorbed into LHSs) into commercial poly(vinyl alcohol) (PVA). The films were characterized by XRD, UV-Vis spectroscopy, and mechanical testing. The mechanical properties of the PVA compounded with the dye-intercalated/adsorbed ZHN were evaluated, and reasonable increases in Young's modulus and ultimate tensile strength were observed, depending on the amount and choice of layered filler. These results demonstrate the possibility of using a new class of layered hydroxide salts intercalated and adsorbed with anionic dyes to prepare multifunctional polymer nanocomposite materials. Copyright © 2010 Elsevier Inc. All rights reserved.

  17. Silicene on Monolayer PtSe2: From Strong to Weak Binding via NH3 Intercalation

    KAUST Repository

    Sattar, Shahid

    2018-01-16

    We study the properties of silicene on monolayer PtSe2 by first-principles calculations and demonstrate a much stronger interlayer interaction than previously reported for silicene on other semiconducting substrates. This fact opens the possibility of a direct growth. A band gap of 165 meV results from inversion symmetry breaking and large spin-splittings in the valence and conduction bands from proximity to monolayer PtSe2 and its strong spin–orbit coupling. It is also shown that the interlayer interaction can be effectively reduced by intercalating NH3 molecules between silicene and monolayer PtSe2 without inducing charge transfer or defect states near the Fermi energy. A small NH3 diffusion barrier makes intercalation a viable experimental approach to control the interlayer interaction.

  18. 10th International School of Materials Science and Technology : Intercalation in Layered Materials "Ettore Majorana"

    CERN Document Server

    1986-01-01

    This volume is prepared from lecture notes for the course "Intercalation in Layered Materials" which was held at the Ettore Majorana Centre for Scientific Culture at Erice, Sicily in July, 1986, as part of the International School of Materials Science and Tech­ nology. The course itself consisted of formal tutorial lectures, workshops, and informal discussions. Lecture notes were prepared for the formal lectures, and short summaries of many of the workshop presentations were prepared. This volume is based on these lecture notes and research summaries. The material is addressed to advanced graduate students and postdoctoral researchers and assumes a background in basic solid state physics. The goals of this volume on Intercalation in Layered Materials include an introduc­ tion to the field for potential new participants, an in-depth and broad exposure for stu­ dents and young investigators already working in the field, a basis for cross-fertilization between workers on various layered host materials...

  19. Raman Spectroscopy for Understanding of Lithium Intercalation into Graphite in Propylene Carbonated-Based Solutions

    Directory of Open Access Journals (Sweden)

    Yang-Soo Kim

    2015-01-01

    Full Text Available Electrochemical lithium intercalation within graphite was investigated in propylene carbonate (PC containing different concentrations, 0.4, 0.9, 1.2, 2.2, 2.8, 3.8, and 4.7 mol dm−3, of lithium perchlorate, LiClO4. Lithium ion was reversibly intercalated into and deintercalated from graphite in 3.8 and 4.7 mol dm−3 solutions despite the use of pure PC as the solvent. However, ceaseless solvent decomposition and intense exfoliation of the graphene layers occurred in other solutions. The results of the Raman spectroscopic analysis indicated that contact ion pairs are present in 3.8 and 4.7 mol dm−3 solutions, which suggested that the presence of contact ion pairs is an important factor that determines the solid electrolyte interphase- (SEI- forming ability in PC-based electrolytes.

  20. Pseudo Dirac dispersion in Mn-intercalated graphene on SiC

    KAUST Repository

    Kahaly, M. Upadhyay

    2013-07-01

    The atomic and electronic structures of bulk C6Mn, bulk C 8Mn, and Mn-intercalated graphene on SiC(0 0 0 1) and SiC(0001̄) are investigated by density functional theory. We find for both configurations of Mn-intercalated graphene a nonmagnetic state, in agreement with the experimental situation for SiC(0 0 0 1), and explain this property. The electronic structures around the Fermi energy are dominated by Dirac-like cones at energies consistent with data from angular resolved photoelectron spectroscopy [Gao et al., ACS Nano. 6 (2012) 6562]. However, our results demonstrate that the corresponding states trace back to hybridized Mn d orbitals, and not to the graphene. © 2013 Elsevier B.V. All rights reserved.

  1. Observation of Landau levels in potassium-intercalated graphite under a zero magnetic field.

    Science.gov (United States)

    Guo, Donghui; Kondo, Takahiro; Machida, Takahiro; Iwatake, Keigo; Okada, Susumu; Nakamura, Junji

    2012-01-01

    The charge carriers in graphene are massless Dirac fermions and exhibit a relativistic Landau-level quantization in a magnetic field. Recently, it has been reported that, without any external magnetic field, quantized energy levels have been also observed from strained graphene nanobubbles on a platinum surface, which were attributed to the Landau levels of massless Dirac fermions in graphene formed by a strain-induced pseudomagnetic field. Here we show the generation of the Landau levels of massless Dirac fermions on a partially potassium-intercalated graphite surface without applying external magnetic field. Landau levels of massless Dirac fermions indicate the graphene character in partially potassium-intercalated graphite. The generation of the Landau levels is ascribed to a vector potential induced by the perturbation of nearest-neighbour hopping, which may originate from a strain or a gradient of on-site potentials at the perimeters of potassium-free domains.

  2. Synchrotron-Radiation X-Ray Investigation of Li+/Na+ Intercalation into Prussian Blue Analogues

    Directory of Open Access Journals (Sweden)

    Yutaka Moritomo

    2013-01-01

    Full Text Available Prussian blue analogies (PBAs are promising cathode materials for lithium ion (LIB and sodium ion (SIB secondary batteries, reflecting their covalent and nanoporous host structure. With use of synchrotron-radiation (SR X-ray source, we investigated the structural and electronic responses of the host framework of PBAs against Li+ and Na+ intercalation by means of the X-ray powder diffraction (XRD and X-ray absorption spectroscopy (XAS. The structural investigation reveals a robust nature of the host framework against Li+ and Na+ intercalation, which is advantageous for the stability and lifetime of the batteries. The spectroscopic investigation identifies the redox processes in respective plateaus in the discharge curves. We further compare these characteristics with those of the conventional cathode materials, such as, LiCoO2, LiFePO4, and LiMn2O4.

  3. Benzoate Anion-Intercalated Layered Cobalt Hydroxide Nanoarray: An Efficient Electrocatalyst for the Oxygen Evolution Reaction.

    Science.gov (United States)

    Ge, Ruixiang; Ren, Xiang; Ji, Xuqiang; Liu, Zhiang; Du, Gu; Asiri, Abdullah M; Sun, Xuping; Chen, Liang

    2017-10-23

    Efficient oxygen evolution reaction (OER) catalysts are highly desired to improve the overall efficiency of electrochemical water splitting. We develop a benzoate anion-intercalated layered cobalt hydroxide nanobelt array on nickel foam (benzoate-Co(OH) 2 /NF) through a one-pot hydrothermal process. As a 3 D electrode, benzoate-Co(OH) 2 /NF with an expanded interlayer spacing (14.72 Å) drives a high OER catalytic current density of 50 mA cm -2 at an overpotential of 291 mV, outperforming its carbonate anion-intercalated counterpart with a lower interlayer spacing of 8.81 Å (337 mV overpotential at 50 mA cm -2 ). Moreover, this benzoate-Co(OH) 2 /NF can maintain its catalytic activity for 21 h. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    Directory of Open Access Journals (Sweden)

    Giuseppe Leone

    2014-12-01

    Full Text Available 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(fluorenes. Finally, under specific conditions, the polymer hybrid with higher oligo(fluorene content spontaneously assembles into highly ordered microporous films.

  5. Origin of the high p-doping in F intercalated graphene on SiC

    KAUST Repository

    Cheng, Yingchun

    2011-08-04

    The atomic and electronic structures of F intercalated epitaxialgraphene on a SiC(0001) substrate are studied by first-principles calculations. A three-step fluorination process is proposed. First, F atoms are intercalated between the graphene and the SiC, which restores the Dirac point in the band structure. Second, saturation of the topmost Si dangling bonds introduces p-doping up to 0.37 eV. Third, F atoms bond covalently to the graphene to enhance the p-doping. Our model explains the highly p-doped state of graphene on SiC after fluorination [A. L. Walter et al., Appl. Phys. Lett. 98, 184102 (2011)].

  6. Flexibility of short ds-DNA intercalated by a dipyridophenazine ligand

    Directory of Open Access Journals (Sweden)

    Fuchao eJia

    2015-04-01

    Full Text Available We use Förster Resonant Energy Transfer (FRET in order to measure the increase of flexibility of short ds-DNA induced by the intercalation of dipyridophenazine (dppz ligand in between DNA base pairs. By using a DNA double strand fluorescently labeled at its extremeties, it is shown that the end-to-end length increase of DNA due to the intercalation of one dppz ligand is smaller than the DNA base pair interdistance. This may be explained either by a local bending of the DNA or by an increase of its flexibility. The persistence length of the formed DNA/ligand is evaluated. The described structure may have implications in the photophysical damages induced by the complexation of DNA by organometallic molecules.

  7. Intercalation behavior of amino acids into Zn-Al-layered double hydroxide by calcination-rehydration reaction

    Science.gov (United States)

    Aisawa, Sumio; Kudo, Hiroko; Hoshi, Tomomi; Takahashi, Satoshi; Hirahara, Hidetoshi; Umetsu, Yoshio; Narita, Eiichi

    2004-11-01

    The intercalation of amino acids for the Zn-Al-layered double hydroxide (LDH) has been investigated by the calcination-rehydration reaction at 298 K using mainly phenylalanine (Phe) as a guest amino acid. The Zn-Al oxide precursor prepared by the calcination of Zn-Al-carbonated LDH at 773 K for 2 h was used as the host material. The amount of Phe intercalated by the rehydration was remarkably influenced by the initial solution pH and reached ca. 2.7 times for anion exchange capacity (AEC) of the LDH at neutral and weak alkaline solutions, suggesting that Phe was intercalated as amphoteric ion form into the LDH interlayer. As Phe is intercalated for the LDH as monovalent anion in alkaline solution, the amount of Phe intercalated at pH 10.5 corresponded with AEC of the LDH. The solid products were found to have the expanded LDH structure, which confirmed that Phe was intercalated into the LDH interlayer as amphoteric ion or anion form. The basal spacing, d003, of the Phe/LDH was 1.58 nm at pH 7.0 and 0.80 nm at pH 10.5; two kinds of expansion suggested for Phe in the interlayer space as vertical (pH 7.0) and horizontal (pH 10.5) orientations. The intercalation behavior of various amino acids for the LDH was also found to be greatly influenced by the feature of the amino acid side-chain, namely, its carbon-chain length, structure and physicochemical property. In particular, α-amino acids possessing a hydrophobic or negative-charged side-chain were preferentially intercalated for the LDH.

  8. Intercalation of methotrexatum into layered double hydroxides via exfoliation-reassembly process

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Su-Qing; Li, Shu-Ping, E-mail: lishuping@njnu.edu.cn; Li, Xiao-Dong, E-mail: lixiaodong1@njnu.edu.cn

    2015-03-01

    Graphical abstract: The intercalation of methotrexatum (MTX) into layered double hydroxides (LDHs) via an exfoliation-reassembly process was studied and the resulting MTX/LDHs hybrids were evaluated by anticancer effects on A549 cells together with pristine LDHs and MTX itself, the results indicated that the hybrids obtained from low concentration of MTX solution presented much better anticancer effect. - Highlights: • Exfoliation-reassembly process is a good method to synthesize hybrids. • MTX/LDHs from low concentration of MTX solution presented better release property. • MTX/LDHs from low concentration of MTX solution presented good anticancer effects. - Abstract: 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.

  9. Selective Intercalation of Graphite Oxide by Methanol in Water/Methanol Mixtures

    OpenAIRE

    You, Shujie; Yu, Junchun; Sundqvist, Bertil; Belyaeva, L. A.; Avramenko, Natalya V.; Korobov, Mikhail V.; Talyzin, Alexandr V.

    2013-01-01

    Graphite oxide is selectively intercalated by methanol when exposed to liquid water/methanol mixtures with methanol fraction in the range 20-100%. Insertion of water into the GO structure occurs only when the content of water in the mixture with methanol is increased up to 90%. This conclusion is confirmed by both ambient temperature XRD data and specific temperature variations of the GO structure due to insertion/deinsertion of an additional methanol monolayer observed upon cooling/heating. ...

  10. Retention of contaminants Cd and Hg adsorbed and intercalated in aluminosilicate clays: A first principles study.

    Science.gov (United States)

    Crasto de Lima, F D; Miwa, R H; Miranda, Caetano R

    2017-11-07

    Layered clay materials have been used to incorporate transition metal (TM) contaminants. Based on first-principles calculations, we have examined the energetic stability and the electronic properties due to the incorporation of Cd and Hg in layered clay materials, kaolinite (KAO) and pyrophyllite (PYR). The TM can be (i) adsorbed on the clay surface as well as (ii) intercalated between the clay layers. For the intercalated case, the contaminant incorporation rate can be optimized by controlling the interlayer spacing of the clay, namely, pillared clays. Our total energy results reveal that the incorporation of the TMs can be maximized through a suitable tuning of vertical distance between the clay layers. Based on the calculated TM/clay binding energies and the Langmuir absorption model, we estimate the concentrations of the TMs. Further kinetic properties have been examined by calculating the activation energies, where we found energy barriers of ∼20 and ∼130 meV for adsorbed and intercalated cases, respectively. The adsorption and intercalation of ionized TM adatoms were also considered within the deprotonated KAO surface. This also leads to an optimal interlayer distance which maximizes the TM incorporation rate. By mapping the total charge transfers at the TM/clay interface, we identify a net electronic charge transfer from the TM adatoms to the topmost clay surface layer. The effect of such a charge transfer on the electronic structure of the clay (host) has been examined through a set of X-ray absorption near edge structure (XANES) simulations, characterizing the changes of the XANES spectra upon the presence of the contaminants. Finally, for the pillared clays, we quantify the Cd and Hg K-edge energy shifts of the TMs as a function of the interlayer distance between the clay layers and the Al K-edge spectra for the pristine and pillared clays.

  11. Noble-metal intercalation process leading to a protected adatom in a graphene hollow site

    Science.gov (United States)

    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].

  12. Work Function Characterization of Potassium-Intercalated, Boron Nitride Doped Graphitic Petals

    Directory of Open Access Journals (Sweden)

    Patrick T. McCarthy

    2017-07-01

    Full Text Available This paper reports on characterization techniques for electron emission from potassium-intercalated boron nitride-modified graphitic petals (GPs. Carbon-based materials offer potentially good performance in electron emission applications owing to high thermal stability and a wide range of nanostructures that increase emission current via field enhancement. Furthermore, potassium adsorption and intercalation of carbon-based nanoscale emitters decreases work functions from approximately 4.6 eV to as low as 2.0 eV. In this study, boron nitride modifications of GPs were performed. Hexagonal boron nitride is a planar structure akin to graphene and has demonstrated useful chemical and electrical properties when embedded in graphitic layers. Photoemission induced by simulated solar excitation was employed to characterize the emitter electron energy distributions, and changes in the electron emission characteristics with respect to temperature identified annealing temperature limits. After several heating cycles, a single stable emission peak with work function of 2.8 eV was present for the intercalated GP sample up to 1,000 K. Up to 600 K, the potassium-intercalated boron nitride modified sample exhibited improved retention of potassium in the form of multiple emission peaks (1.8, 2.5, and 3.3 eV resulting in a large net electron emission relative to the unmodified graphitic sample. However, upon further heating to 1,000 K, the unmodified GP sample demonstrated better stability and higher emission current than the boron nitride modified sample. Both samples deintercalated above 1,000 K.

  13. Non-directional radial intercalation dominates deep cell behavior during zebrafish epiboly

    OpenAIRE

    Bensch, Robert; Song, Sungmin; Ronneberger, Olaf; Driever, Wolfgang

    2013-01-01

    Summary Epiboly is the first coordinated cell movement in most vertebrates and marks the onset of gastrulation. During zebrafish epiboly, enveloping layer (EVL) and deep cells spread over the vegetal yolk mass with a concomitant thinning of the deep cell layer. A prevailing model suggests that deep cell radial intercalations directed towards the EVL would drive deep cell epiboly. To test this model, we have globally recorded 3D cell trajectories for zebrafish blastomeres between sphere and...

  14. Interlayer coupling enhancement in graphene/hexagonal boron nitride heterostructures by intercalated defects and vacancies

    OpenAIRE

    Park, Sohee; Park, Changwon; Kim, Gunn

    2014-01-01

    Among two-dimensional atomic crystals, hexagonal boron nitride (hBN) is one of the most remarkable materials to fabricate heterostructures revealing unusual properties. We perform first-principles calculations to determine whether intercalated metal atoms and vacancies can mediate interfacial coupling and influence the structural and electronic properties of the graphene/hBN heterostructure. Metal impurity atoms (Li, K, Cr, Mn, Co, and Cu) as extrinsic defects between the graphene and hBN she...

  15. Retention of contaminants Cd and Hg adsorbed and intercalated in aluminosilicate clays: A first principles study

    Science.gov (United States)

    Crasto de Lima, F. D.; Miwa, R. H.; Miranda, Caetano R.

    2017-11-01

    Layered clay materials have been used to incorporate transition metal (TM) contaminants. Based on first-principles calculations, we have examined the energetic stability and the electronic properties due to the incorporation of Cd and Hg in layered clay materials, kaolinite (KAO) and pyrophyllite (PYR). The TM can be (i) adsorbed on the clay surface as well as (ii) intercalated between the clay layers. For the intercalated case, the contaminant incorporation rate can be optimized by controlling the interlayer spacing of the clay, namely, pillared clays. Our total energy results reveal that the incorporation of the TMs can be maximized through a suitable tuning of vertical distance between the clay layers. Based on the calculated TM/clay binding energies and the Langmuir absorption model, we estimate the concentrations of the TMs. Further kinetic properties have been examined by calculating the activation energies, where we found energy barriers of ˜20 and ˜130 meV for adsorbed and intercalated cases, respectively. The adsorption and intercalation of ionized TM adatoms were also considered within the deprotonated KAO surface. This also leads to an optimal interlayer distance which maximizes the TM incorporation rate. By mapping the total charge transfers at the TM/clay interface, we identify a net electronic charge transfer from the TM adatoms to the topmost clay surface layer. The effect of such a charge transfer on the electronic structure of the clay (host) has been examined through a set of X-ray absorption near edge structure (XANES) simulations, characterizing the changes of the XANES spectra upon the presence of the contaminants. Finally, for the pillared clays, we quantify the Cd and Hg K-edge energy shifts of the TMs as a function of the interlayer distance between the clay layers and the Al K-edge spectra for the pristine and pillared clays.

  16. Intermolecular interactions between imidazole derivatives intercalated in layered solids. Substituent group effect

    Energy Technology Data Exchange (ETDEWEB)

    González, M.; Lemus-Santana, A.A. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Rodríguez-Hernández, J. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Instituto de Ciencia y Tecnología de Materiales, Universidad de La Habana, Havana (Cuba); Aguirre-Velez, C.I. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Knobel, M. [Institute of Physics “Gleb Wataghin”, UNICAMP, 13083-970 Campinas, SP (Brazil); Reguera, E., E-mail: edilso.reguera@gmail.com [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico)

    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.

  17. π-π Interaction intercalation of layered carbon materials with metallocene.

    Science.gov (United States)

    Gao, Yongjun; Hu, Gang; Zhang, Wei; Ma, Ding; Bao, Xinhe

    2011-05-07

    A new hybrid material consisting of ferrocene and layered carbon (LC: graphene oxide (GO) or reduced graphene oxide (RGO)) was prepared through a facile intercalation approach. The structure of ferrocene was well maintained while the strong π-π interaction between LC and ferrocene remarkably suppressed the sublimation of ferrocene and promoted ferrocene to decompose into iron nanoparticles in between layers of LC. The hybrid exhibited excellent electrochemical properties in electrocatalytic oxidation of ascorbic acid (AA).

  18. Effects of pH and concentration on ability of Cl and NO to intercalate ...

    Indian Academy of Sciences (India)

    Wintec

    3 (Cl. –. –HT and NO. –. 3–HT, respectively). We examined the effects of pH after the reaction, the concen- trations of Cl. – and NO. –. 3 in the solutions, and the Mg: Al molar ratio of the HTs in relation to anion intercalation into the interlayer during synthesis. *Author for correspondence (kameda@env.che.tohoku.ac.jp) ...

  19. Nanoparticle intercalation-induced interlayer-gap-opened graphene–polyaniline nanocomposite for enhanced supercapacitive performances

    Energy Technology Data Exchange (ETDEWEB)

    Im, Sungjin; Park, Young Ran [Graphene Research Institute & Department of Chemistry, Sejong University, Seoul 05006 (Korea, Republic of); Park, Sanghyuk [Graphene Research Institute & Department of Chemistry, Sejong University, Seoul 05006 (Korea, Republic of); Department of Energy and Mineral Resources Engineering, Sejong University, Seoul 05006 (Korea, Republic of); Kim, Hyeong Jin [Department of Nanotechnology and Advanced Materials Engineering, Sejong University, Seoul 05006 (Korea, Republic of); Doh, Ji Hoon [Graphene Research Institute & Department of Chemistry, Sejong University, Seoul 05006 (Korea, Republic of); Division of Electron Microscopy Research, Korea Basic Science Institute (KBSI), Daejeon 34133 (Korea, Republic of); Kwon, Kyungjung [Department of Energy and Mineral Resources Engineering, Sejong University, Seoul 05006 (Korea, Republic of); Hong, Won G. [Division of Electron Microscopy Research, Korea Basic Science Institute (KBSI), Daejeon 34133 (Korea, Republic of); Kim, Byungnam [Radiation Equipment Research Division, Korea Atomic Energy Research Institute, Daejeon 34057 (Korea, Republic of); Yang, Woo Seok [Electronic Material and Device Research Center, Korea Electronics Technology Institute, Seongnam, Gyeonggi-do 13509 (Korea, Republic of); Kim, TaeYoung [Department of Bionanotechnology, Gachon University, Seongnam, Gyeonggi-do 13120 (Korea, Republic of); Hong, Young Joon, E-mail: yjhong@sejong.ac.kr [Department of Nanotechnology and Advanced Materials Engineering, Sejong University, Seoul 05006 (Korea, Republic of)

    2017-08-01

    Highlights: • High energy–power supercapacitor electrode is demonstrated using EDLC–PC hybridized rGO–PANi nanocomposite. • A method for perpetuated intercalation of nanoparticles into interlayer gap of rGO is developed. • The intercalaction (i) exfoliates rGO layers, (ii) prevents self-agglomeration, and (iii) enlarges specific surface area of rGO for high power performance. • Electric resistance is substantially reduced by forming more rGO–PANi links via grafting of PANi to well-opened rGO edges. - Abstract: This study demonstrates a method for improving supercapacitive performance of two-dimensional nanosheet-based composite electrode. As a hybridized electrostatic double layer capacitor–electrochemical pseudocapacitor (EDLC–PC) electrode, we synthesized reduced graphene oxide–polyaniline nanofibers (rGO–PANi NFs) composite electrode. For the enhanced supercapacitive performances, insulator silver chloride nanoparticles (AgCl NPs) were intercalated into the interlayer gap of rGO. The AgCl NP intercalation (i) exfoliated rGO layers and (ii) prevented rGO-self-agglomeration that makes it difficult to utilize the high surface-to-volume ratio of ideal mono- (or few-) atomic-thick rGO layers. As a result, (iii) the specific capacitance was improved in accordance with the enlarged specific surface area of rGO. Furthermore, (iv) the well-developed rGO edges, which were opened by the AgCl intercalation, enabled formation of more bonds between PANi and rGO by selective grafting of PANi to the rGO edges. Hence, the bonds of PANi–rGO, as conducting paths, substantially reduced the total electrical resistance. Enhanced specific capacitance, ion diffusion efficiency, and reduced electrical resistance indicated the bi-functional roles of AgCl NP insertion for high performance hybridized EDLC–PC electrodes.

  20. Impact of an intercalated BSc on medical student performance and careers: a BEME systematic review: BEME Guide No. 28.

    Science.gov (United States)

    Jones, Melvyn; Hutt, Patrick; Eastwood, Sophie; Singh, Surinder

    2013-10-01

    Intercalated BScs (iBScs) are an optional part of undergraduate (UG) medicine courses in UK, Eire, Australia, New Zealand, the West Indies, Hong Kong, South Africa and Canada, consisting of advanced study into a particular field of medicine, often combined with research. They potentially improve students' skills and allow exploration of specific areas of interest. They are, however, expensive for institutions and students and delay workforce entry. There is conflicting evidence about their impact. A mixed-method systematic review (meta-analysis and critical interpretive synthesis) of the biomedical and educational literature, focusing on the impact of iBScs on UG performance, skills, and career choice, and to explore students' and other stakeholders' opinions about iBScs. In the meta-analytic part of this review, we identified five studies which met our predetermined quality criteria. For UG performance, two studies using different methodologies report an improvement in UG performance; one study reported an Odds Ratio [OR] of 3.58 [95% CI 1.47-8.83] and the second reported a significant improvement in finals scores (1.27 points advantage 95% CI 0.52-2.02). One study reported a mixed result, while two studies showed no improvement. Regarding skills and attitudes, one paper suggested iBScs lead to the development of deeper learning styles. With regard to subsequent careers, two studies suggested that for those students undertaking an iBSc there is an increased chance following an academic career [ORs of 3.6 (2.3-5.8) to 5.94 (3.6-11.5)]. Seven of eight studies (with broader selection criteria) reported that iBSc students were less likely to pursue GP careers (ORs no effect to 0.17 [0.07-0.36]). Meta-analysis of the data was not possible. In the critical interpretative synthesis analysis, we identified 46 articles, from which three themes emerged; firstly, the decision to undertake an iBSc, with students receiving conflicting advice; secondly, the educational

  1. Hippocampal hyperexcitability is modulated by microtubule-active agent: evidence from in vivo and in vitro epilepsy models in the rat.

    Directory of Open Access Journals (Sweden)

    Fabio eCarletti

    2016-02-01

    Full Text Available The involvement of microtubule dynamics on bioelectric activity of neurons and neurotransmission represents a fascinating target of research in the context of neural excitability. It has been reported that alteration of microtubule cytoskeleton can lead to profound modifications of neural functioning, with a putative impact on hyperexcitability phenomena. Altogether, in the present study we pointed at exploring the outcomes of modulating the degree of microtubule polymerization in two electrophysiological epileptiform activity in the rat hippocampus. To this aim, we used in vivo Maximal Dentate Activation (MDA and in vitro hippocampal epileptiform bursting activity (HEBA paradigms to assess the effects of nocodazole and paclitaxel, that respectively destabilize and stabilize microtubule structures. In particular, in the MDA paroxysmal discharge is electrically induced, whereas the HEBA is obtained by altering extracellular ionic concentrations. Our results provided evidence that nocodazole 10 µM was able to reduce the severity of MDA seizures, without inducing neurotoxicity as verified by the immunohistochemical assay. In some cases, paroxysmal discharge was completely blocked during the maximal effect of the drug. These data were also in agreement with the outcomes of in vitro HEBA, since nocodazole markedly decreased burst activity that was even silenced occasionally. In contrast, paclitaxel at 10 µM did not exert a clear action in both paradigms. The present study, targeting cellular mechanisms not much considered so far, suggests the possibility that microtubule-active drugs could modulate brain hyperexcitability. This contributes to the hypothesis that cytoskeleton function may affect synaptic processes, relapsing on bioelectric aspects of epileptic activity.

  2. Invagination of Ectodermal Placodes Is Driven by Cell Intercalation-Mediated Contraction of the Suprabasal Tissue Canopy.

    Directory of Open Access Journals (Sweden)

    Eleni Panousopoulou

    2016-03-01

    Full Text Available Ectodermal organs such as teeth, hair follicles, and mammary glands begin their development as placodes. These are local epithelial thickenings that invaginate into mesenchymal space. There is currently little mechanistic understanding of the cellular processes driving the early morphogenesis of these organs and of why they lead to invagination rather than simple tissue thickening. Here, we show that placode invagination depends on horizontal contraction of superficial layers of cells that form a shrinking and thickening canopy over underlying epithelial cells. This contraction occurs by cell intercalation and is mechanically coupled to the basal layer by peripheral basal cells that extend apically and centripetally while remaining attached to the basal lamina. This process is topologically analogous to well-studied apical constriction mechanisms, but very different from them both in scale and molecular mechanism. Mechanical cell-cell coupling is propagated through the tissue via E-cadherin junctions, which in turn depend on tissue-wide tension. We further present evidence that this mechanism is conserved among different ectodermal organs and is, therefore, a novel and fundamental morphogenetic motif widespread in embryonic development.

  3. Dynamics of water intercalation fronts in a nano-layered synthetic silicate: A synchrotron X-ray scattering study

    International Nuclear Information System (INIS)

    Lovoll, G.; Sandnes, B.; Meheust, Y.; Maloy, K.J.; Fossum, J.O.; Silva, G.J. da; Mundim, M.S.P.; Droppa, R. Jr.; Fonseca, D.M.

    2005-01-01

    We performed synchrotron X-ray scattering studies of the dynamics of the water intercalation front in a Na-Fluorohectorite clay. Like other smectite clays, fluorohectorite particles can swell due to intercalation of successive water layers. Monitoring the intensities of Bragg peaks of the known 1- and 2-water-layer hydration states at different positions in the sample enabled spatial and temporal measurement of the proportions of the different hydration states. From experiments with controlled temperature and an imposed humidity gradient on a quasi one-dimensional powder sample, we were able to localize the intercalation front and demonstrate that the width of this front was smaller than 2 mm after penetrating 9 mm into the sample. The speed at which the intercalation front advanced through the sample during the diffusion process was shown to decrease with time. The diffraction signature of random water intercalation in the vicinity of the intercalation front also provided information on the changes in the water content of the mesopores around clay particles

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

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Mengsi; Jin, Jianhua; Xu, Guiqing [School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, Xinxiang 453007 (China); Cui, Fengling, E-mail: fenglingcui@hotmail.com [School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, Xinxiang 453007 (China); Luo, Hongxia [Department of Chemistry, Renmin University of China, Beijing 100872 (China)

    2014-01-15

    Highlights: • Binding mode to ctDNA was studied by various methods. • Intercalation is the most possible binding mode. • Dynamic and static quenching occurred simultaneously. • Hydrophobic force played a major role. • Binding characteristic of rare earth complexes to DNA are dependent on the element. - Abstract: 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.

  5. 1,8-Naphthalimide: A Potent DNA Intercalator and Target for Cancer Therapy.

    Science.gov (United States)

    Tandon, Runjhun; Luxami, Vijay; Kaur, Harsovin; Tandon, Nitin; Paul, Kamaldeep

    2017-10-01

    The poor pharmacokinetics, side effects and particularly the rapid emergence of drug resistance compromise the efficiency of clinically used anticancer drugs. Therefore, the discovery of novel and effective drugs is still an extremely primary mission. Naphthalimide family is one of the highly active anticancer drug based upon effective intercalator with DNA. In this article, we review the discovery and development of 1,8-naphthalimide moiety, and, especially, pay much attention to the structural modifications and structure activity relationships. The review demonstrates how modulation of the moiety affecting naphthalimide compound for DNA binding that is achieved to afford a profile of antitumor activity. The DNA binding of imide and ring substitution at naphthalimide, bisnaphthalimide, naphthalimide-metal complexes is achieved by molecular recognition through intercalation mode. Thus, this synthetic/natural small molecule can act as a drug when activation or inhibition of DNA function, is required to cure or control the cancer disease. The present study is a review of the advances in 1,8-naphthalimide-related research, with a focus on how such derivatives are intercalated into DNA for their anticancer activities. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water.

    Science.gov (United States)

    Muckley, Eric S; Naguib, Michael; Wang, Hsiu-Wen; Vlcek, Lukas; Osti, Naresh C; Sacci, Robert L; Sang, Xiahan; Unocic, Raymond R; Xie, Yu; Tyagi, Madhusudan; Mamontov, Eugene; Page, Katharine L; Kent, Paul R C; Nanda, Jagjit; Ivanov, Ilia N

    2017-11-28

    Understanding of structural, electrical, and gravimetric peculiarities of water vapor interaction with ion-intercalated MXenes led to design of a multimodal humidity sensor. Neutron scattering coupled to molecular dynamics and ab initio calculations showed that a small amount of hydration results in a significant increase in the spacing between MXene layers in the presence of K and Mg intercalants between the layers. Films of K- and Mg-intercalated MXenes exhibited relative humidity (RH) detection thresholds of ∼0.8% RH and showed monotonic RH response in the 0-85% RH range. We found that MXene gravimetric response to water is 10 times faster than their electrical response, suggesting that H 2 O-induced swelling/contraction of channels between MXene sheets results in trapping of H 2 O molecules that act as charge-depleting dopants. The results demonstrate the use of MXenes as humidity sensors and infer potential impact of water on structural and electrical performance of MXene-based devices.

  7. Intercalation of a Zn(II) complex containing ciprofloxacin drug between DNA base pairs.

    Science.gov (United States)

    Shahabadi, Nahid; Asadian, Ali Ashraf; Mahdavi, Mryam

    2017-11-02

    In this study, an attempt has been made to study the interaction of a Zn(II) complex containing an antibiotic drug, ciprofloxacin, with calf thymus DNA using spectroscopic methods. It was found that Zn(II) complex could bind with DNA via intercalation mode as evidenced by: hyperchromism in UV-Vis spectrum; these spectral characteristics suggest that the Zn(II) complex interacts with DNA most likely through a mode that involves a stacking interaction between the aromatic chromophore and the base pairs of DNA. DNA binding constant (K b = 1.4 × 10 4 M -1 ) from spectrophotometric studies of the interaction of Zn(II) complex with DNA is comparable to those of some DNA intercalative polypyridyl Ru(II) complexes 1.0 -4.8 × 10 4 M -1 . CD study showed stabilization of the right-handed B form of DNA in the presence of Zn(II) complex as observed for the classical intercalator methylene blue. Thermodynamic parameters (ΔH DNA-MB, indicating that it binds to DNA in strong competition with MB for the intercalation.

  8. Geometric stability, electronic structure, and intercalation mechanism of Co adatom anchors on graphene sheets

    International Nuclear Information System (INIS)

    Tang, Yanan; Chen, Weiguang; Li, Chenggang; Dai, Xianqi; Li, Wei

    2015-01-01

    We perform a systematic study of the adsorption of Co adatom on monolayer and bilayer graphene sheets, and the calculated results are compared through the van der Waals density functional (vdW-DF) and the generalized gradient approximation of Perdew, Burke and Ernzernhof (GGA + PBE) methods. For the single Co adatom, its adsorption energy at vacancy site was found to be larger than at the high-symmetry adsorption sites. For the different vdW corrections, the calculated adsorption energies of Co adatom on graphene substrates are slightly changed to some extent, but they do not affect the most preferable adsorption configurations. NEB calculations prove that the Co adatom has smaller energy barrier within pristine bilayer graphene (PBG) than that on the upper layer, indicating the high mobility of Co atom anchors at overlayer and easily aggregates. For the PBG substrate, the Co adatom intercalates into graphene sheets with a large energy barrier (9.29 eV). On the bilayer graphene with a single-vacancy (SV), the Co adatom can easily be trapped at the SV site and intercalates into graphene sheets with a much lower energy barrier (2.88 eV). These results provide valuable information on the intercalation reaction and the formation mechanism of metal impurity in graphene sheets. (paper)

  9. Anion-intercalated layered double hydroxides modified test strips for detection of heavy metal ions.

    Science.gov (United States)

    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. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Preparation and characterization of melt intercalated poly(ethylene oxide)/lithium montmorillonite nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Erceg, M., E-mail: merceg@ktf-split.hr [Department of Organic Technology, Faculty of Chemistry and Technology, University of Split, Teslina 10/V, 21000 Split (Croatia); Jozić, D. [Department of Inorganic Technology, Faculty of Chemistry and Technology, University of Split, Teslina 10/V, 21000 Split (Croatia); Banovac, I.; Perinović, S. [Department of Organic Technology, Faculty of Chemistry and Technology, University of Split, Teslina 10/V, 21000 Split (Croatia); Bernstorff, S. [Elettra-Sincrotrone Trieste S.C.p.A., Strada Statale 14, km 163.5 in AREA Science Park, 34149 Basovizza, Trieste (Italy)

    2014-03-01

    Highlights: • PEO/LiMMT nanocomposites were prepared by melt intercalation. • An addition of LiMMT decreases the crystallinity of PEO. • LiMMT significantly lowers the thermal stability of PEO. • LiMMT changes degradation mechanism of PEO as confirmed by kinetic analysis. • Significant conductivity increase is observed and optimum LiMMT content determined. - Abstract: The structure, crystallinity, thermal properties, kinetic analysis of thermal degradation and ionic conductivity of poly(ethylene oxide)/lithium montmorillonite (PEO/LiMMT) nanocomposites prepared by melt intercalation were investigated. An intercalated structure of PEO/LiMMT nanocomposites was found by small angle X-ray scattering (SAXS). Differential scanning calorimetry (DSC) shows that an addition of LiMMT decreases the crystallinity of PEO which completely disappears above 80 wt.% of LiMMT and decreases PEO melting temperature. The influence of LiMMT on the PEO crystallinity was also observed by SAXS and Fourier Transform Infrared Spectroscopy (FTIR). Thermogravimetric analysis (TGA) indicates that LiMMT significantly lowers the thermal stability of PEO and changes its degradation mechanism what is confirmed by kinetic analysis using isoconversional method and deconvolution procedure. Electrochemical impedance spectroscopy reveals the significant increase in ionic conductivity at room temperature with addition of LiMMT and optimum LiMMT content concerning conductivity was defined.

  11. Regenerable Cu-intercalated MnO2 layered cathode for highly cyclable energy dense batteries

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, Gautam G.; Gallaway, Joshua W.; Turney, Damon E.; Nyce, Michael; Huang, Jinchao; Wei, Xia; Banerjee, Sanjoy

    2017-03-06

    Manganese dioxide cathodes are inexpensive and have high theoretical capacity (based on two electrons) of 617 mAh g-1, making them attractive for low-cost, energy-dense batteries. They are used in non-rechargeable batteries with anodes like zinc. Only ~10% of the theoretical capacity is currently accessible in rechargeable alkaline systems. Attempts to access the full capacity using additives have been unsuccessful. We report a class of Bi-birnessite (a layered manganese oxide polymorph mixed with bismuth oxide (Bi2O3)) cathodes intercalated with Cu2+ that deliver near-full two-electron capacity reversibly for >6,000 cycles. The key to rechargeability lies in exploiting the redox potentials of Cu to reversibly intercalate into the Bi-birnessite-layered structure during its dissolution and precipitation process for stabilizing and enhancing its charge transfer characteristics. This process holds promise for other applications like catalysis and intercalation of metal ions into layered structures. A large prismatic rechargeable Zn-birnessite cell delivering ~140 Wh l-1 is shown.

  12. Influence of surface functional groups on lithium ion intercalation of carbon cloth

    International Nuclear Information System (INIS)

    Ventosa, Edgar; Xia, Wei; Klink, Stefan; La Mantia, Fabio; Muhler, Martin; Schuhmann, Wolfgang

    2012-01-01

    Commercial carbon cloth made of PAN-based carbon fibres was used as free-standing anode for lithium intercalation. The role of surface functional groups on the specific irreversible charge loss and reversible charge during the intercalation and de-intercalation of lithium ions into carbon cloth has been investigated. Oxygen groups have been introduced by nitric acid vapour treatment and subsequently gradually removed by thermal treatment at different temperatures in He or H 2 atmosphere as confirmed by X-ray photoelectron spectroscopy. A clear correlation between the amount of surface-bound oxygen groups and the irreversible specific charge was observed. Three irreversible processes were distinguished during the first cathodic scan: (i) reduction of oxygen groups, (ii) formation of the solid electrolyte interphase (SEI) and (iii) presumably exfoliation. The latter one was only observed for samples with low surface oxygen concentration, and its contribution to the irreversible capacity was small due to the low graphitization degree of the samples. An increased specific reversible charge upon increasing the amount of oxygen-containing groups was observed with the main improvement above 1.5 V.

  13. X-ray absorption studies of graphite intercalates and metal-ammonia solutions

    International Nuclear Information System (INIS)

    Robertson, A.S.

    1979-09-01

    X-ray absorption spectroscopy (XAS) was used to study the arsenic fluorocomplexes, including the AsF 5 and AsF 6 - intercalates of graphite, and rubidium metal-ammonia solutions. The As-F distances obtained for AsF 3 and AsF 5 gas are both in excellent agreement with electron diffraction data (within 0.004 A). A superior measurement which is significantly shorter than the accepted value of the bond distance in an undistorted AsF 6 - octahedra is reported. Both the XAES and EXAFS data presented support the hypothesis that the AsF 5 oxidizes graphite upon intercalation to produce AsF 6 - and AsF 3 intercalant species. Changes in the Rb K-edge features which are consistent with the known properties of Rb-NH 3 are correlated with conductivity and delocalization of the solvated electrons. In the XAES region, intensity and position changes of absorption transitions are explained. In the EXAFS region, the Rb-N bond distance and the relative number of nitrogen atoms in the first shell are measured. XAS has been shown to provide unique information about the nature of the metal-ammonia phase separation, phase transition, and density fluctuations

  14. Perturbation of the Electron Transport Mechanism by Proton Intercalation in Nanoporous TiO2 Films

    Energy Technology Data Exchange (ETDEWEB)

    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.

  15. Effects of Intercalation on the Hole Mobility of Amorphous Semiconducting Polymer Blends

    KAUST Repository

    Cates, Nichole C.

    2010-06-08

    Fullerenes have been shown to intercalate between the side chains of many crystalline and semicrystalline polymers and to affect the properties of polymer:fullerene bulk heterojunction solar cells. Here we present the first in-depth study of intercalation in an amorphous polymer. We study blends of the widely studied amorphous polymer poly(2-methoxy-5-(3studied amorphous polymer poly(,7·studied amorphous polymer poly(-dimethyloctyloxy)-p-phenylene vinylene) (MDMO-PPV) with a variety of molecules using photoluminescence measurements, scanning electron microscopy, and space-charge limited current mobility measurements. The blends with elevated hole mobilities exhibit complete photoluminescence quenching and show no phase separation in a scanning electron microscope. We conclude that intercalation occurs in MDMO-PPV:fullerene blends and is responsible for the increase in the MDMO-PPV hole mobility by several orders of magnitude when it is blended with fullerenes, despite the dilution of the hole-conducting polymer with an electron acceptor. © 2010 American Chemical Society.

  16. Imaging the dynamics of an individual hydrogen atom intercalated between two graphene sheets

    Science.gov (United States)

    Wang, Wen-Xiao; Wei, Yi-Wen; Li, Si-Yu; Li, Xinqi; Wu, Xiaosong; Feng, Ji; He, Lin

    2018-02-01

    The interlayer gallery between two adjacent sheets of van der Waals materials is expected to modify properties of atoms and molecules confined at the atomic interfaces. Here, we directly image individual hydrogen atom intercalated between two graphene sheets and investigate its dynamics by scanning tunnelling microscopy (STM). The intercalated hydrogen atom is found to be remarkably different from atomic hydrogen chemisorbed on the external surface of graphene. Our STM measurements, complemented by first-principles calculations, show that the hydrogen atom intercalated between two graphene sheets has dramatically reduced potential barriers for elementary migration steps. Especially, the confined atomic hydrogen dissociation energy from one of the graphene sheet is reduced to 0.34 eV, which is only about a third of a hydrogen atom chemisorbed on the external surface of graphene. This offers a unique platform for direct imaging of the atomic dynamics of confined atoms. Our results suggest that the atomic interfaces of van der Waals materials provide a confined environment to tune the dynamics process of confined atoms or molecules.

  17. Agent modelling in METATEM and DESIRE

    NARCIS (Netherlands)

    Mulder, Marco; Treur, Jan; Fisher, Michael

    1998-01-01

    In spite of the rapid spread of agent technology, there is, as yet, little evidence of an engineering approach to the development of multi-agent systems. For example, both development methods and verification techniques for multi-agent systems are rare. In this paper, we describe a case study aimed

  18. Trading Agents

    CERN Document Server

    Wellman, Michael

    2011-01-01

    Automated trading in electronic markets is one of the most common and consequential applications of autonomous software agents. Design of effective trading strategies requires thorough understanding of how market mechanisms operate, and appreciation of strategic issues that commonly manifest in trading scenarios. Drawing on research in auction theory and artificial intelligence, this book presents core principles of strategic reasoning that apply to market situations. The author illustrates trading strategy choices through examples of concrete market environments, such as eBay, as well as abst

  19. Controlled Release of Agrochemicals Intercalated into Montmorillonite Interlayer Space

    Directory of Open Access Journals (Sweden)

    Harrison Wanyika

    2014-01-01

    Full Text Available Periodic application of agrochemicals has led to high cost of production and serious environmental pollution. In this study, the ability of montmorillonite (MMT clay to act as a controlled release carrier for model agrochemical molecules has been investigated. Urea was loaded into MMT by a simple immersion technique while loading of metalaxyl was achieved by a rotary evaporation method. The successful incorporation of the agrochemicals into the interlayer space of MMT was confirmed by several techniques, such as, significant expansion of the interlayer space, reduction of Barrett-Joyner-Halenda (BJH pore volumes and Brunauer-Emmett-Teller (BET surface areas, and appearance of urea and metalaxyl characteristic bands on the Fourier-transform infrared spectra of the urea loaded montmorillonite (UMMT and metalaxyl loaded montmorillonite (RMMT complexes. Controlled release of the trapped molecules from the matrix was done in water and in the soil. The results reveal slow and sustained release behaviour for UMMT for a period of 10 days in soil. For a period of 30 days, MMT delayed the release of metalaxyl in soil by more than 6 times. It is evident that MMT could be used to improve the efficiency of urea and metalaxyl delivery in the soil.

  20. Controlled release of agrochemicals intercalated into montmorillonite interlayer space.

    Science.gov (United States)

    Wanyika, Harrison

    2014-01-01

    Periodic application of agrochemicals has led to high cost of production and serious environmental pollution. In this study, the ability of montmorillonite (MMT) clay to act as a controlled release carrier for model agrochemical molecules has been investigated. Urea was loaded into MMT by a simple immersion technique while loading of metalaxyl was achieved by a rotary evaporation method. The successful incorporation of the agrochemicals into the interlayer space of MMT was confirmed by several techniques, such as, significant expansion of the interlayer space, reduction of Barrett-Joyner-Halenda (BJH) pore volumes and Brunauer-Emmett-Teller (BET) surface areas, and appearance of urea and metalaxyl characteristic bands on the Fourier-transform infrared spectra of the urea loaded montmorillonite (UMMT) and metalaxyl loaded montmorillonite (RMMT) complexes. Controlled release of the trapped molecules from the matrix was done in water and in the soil. The results reveal slow and sustained release behaviour for UMMT for a period of 10 days in soil. For a period of 30 days, MMT delayed the release of metalaxyl in soil by more than 6 times. It is evident that MMT could be used to improve the efficiency of urea and metalaxyl delivery in the soil.

  1. Controlled Release of Agrochemicals Intercalated into Montmorillonite Interlayer Space

    Science.gov (United States)

    2014-01-01

    Periodic application of agrochemicals has led to high cost of production and serious environmental pollution. In this study, the ability of montmorillonite (MMT) clay to act as a controlled release carrier for model agrochemical molecules has been investigated. Urea was loaded into MMT by a simple immersion technique while loading of metalaxyl was achieved by a rotary evaporation method. The successful incorporation of the agrochemicals into the interlayer space of MMT was confirmed by several techniques, such as, significant expansion of the interlayer space, reduction of Barrett-Joyner-Halenda (BJH) pore volumes and Brunauer-Emmett-Teller (BET) surface areas, and appearance of urea and metalaxyl characteristic bands on the Fourier-transform infrared spectra of the urea loaded montmorillonite (UMMT) and metalaxyl loaded montmorillonite (RMMT) complexes. Controlled release of the trapped molecules from the matrix was done in water and in the soil. The results reveal slow and sustained release behaviour for UMMT for a period of 10 days in soil. For a period of 30 days, MMT delayed the release of metalaxyl in soil by more than 6 times. It is evident that MMT could be used to improve the efficiency of urea and metalaxyl delivery in the soil. PMID:24696655

  2. Thin-walled nanoscrolls by multi-step intercalation from tubular halloysite-10 Å and its rearrangement upon peroxide treatment

    Energy Technology Data Exchange (ETDEWEB)

    Zsirka, Balázs, E-mail: zsirkab@almos.vein.hu [University of Pannonia, Institute of Environmental Engineering, P.O. Box 158, Veszprém 8201 Hungary (Hungary); Horváth, Erzsébet, E-mail: erzsebet.horvath@gmail.com [University of Pannonia, Institute of Environmental Engineering, P.O. Box 158, Veszprém 8201 Hungary (Hungary); Szabó, Péter, E-mail: xysma@msn.com [University of Pannonia, Department of Analytical Chemistry, P.O. Box 158, Veszprém 8201 Hungary (Hungary); Juzsakova, Tatjána, E-mail: yuzhakova@almos.uni-pannon.hu [University of Pannonia, Institute of Environmental Engineering, P.O. Box 158, Veszprém 8201 Hungary (Hungary); Szilágyi, Róbert K., E-mail: szilagyi@montana.edu [Department of Chemistry and Biochemistry, Montana State University, Bozeman, MT 59717 (United States); Fertig, Dávid, E-mail: fertig.david92@gmail.com [University of Pannonia, Department of Analytical Chemistry, P.O. Box 158, Veszprém 8201 Hungary (Hungary); Makó, Éva, E-mail: makoe@almos.vein.hu [University of Pannonia, Institute of Materials Engineering, P.O. Box 158, Veszprém 8201 Hungary (Hungary); Varga, Tamás, E-mail: vtamas@chem.u-szeged.hu [University of Szeged, Department of Applied and Environmental Chemistry, Rerrich B. tér 1., Szeged H-6720 Hungary (Hungary); and others

    2017-03-31

    Highlights: • Halloysite intercalation/delamination. • Thin-walled nanoscroll preparation. • Oxidative surface cleaning with H{sub 2}O{sub 2} and heating. • X-ray diffraction, TEM, N{sub 2} adsorption, TG/DTG and FT-IR/ATR measurements. • Nanoscroll rearrangement, periodicity along the crystallographic ‘c’-axis. - Abstract: Surface modification of the halloysite-10 Å mineral with tubular morphology can be achieved by slightly modified procedures developed for the delamination of kaolinite minerals. The resulting delaminated halloysite nanoparticles have unexpected surface/morphological properties that display, new potentials in catalyst development. In this work, a four-step intercalation/delamination procedure is described for the preparation of thin-walled nanoscrolls from the multi-layered hydrated halloysite mineral that consists of (1) intercalation of halloysite with potassium acetate, (2) replacement intercalation with ethylene glycol, (3) replacement intercalation with hexylamine, and (4) delamination with toluene. The intercalation steps were followed by X-ray diffraction, transmission electron microscopy, N{sub 2} adsorption-desorption, thermogravimetry, and infrared spectroscopy. Delamination eliminated the crystalline order and the crystallite size along the ‘c’-axis, increased the specific surface area, greatly decreased the thickness of the mineral tubes to a monolayer, and shifted the pore diameter toward the micropore region. Unexpectedly, the removal of residual organics from intercalation steps adsorbed at the nanoscroll surface with a peroxide treatment resulted in partial recovery of crystallinity and increase of crystallite size along the ‘c’-crystal direction. The d(001) value showed a diffuse pattern at 7.4–7.7 Å due to the rearrangement of the thin-walled nanoscrolls toward the initial tubular morphology of the dehydrated halloysite-7 Å mineral.

  3. Radioprotective Agents

    Directory of Open Access Journals (Sweden)

    Ilker Kelle

    2008-01-01

    Full Text Available Since1949, a great deal of research has been carried out on the radioprotective activity of various chemical substances. Thiol compounds, compounds which contain –SH radical, different classes of pharmacological agents and other compounds such as vitamine C and WR-2721 have been shown to reduce mortality when administered prior to exposure to a lethal dose of radiation. Recently, honey bee venom as well as that of its components melittin and histamine have shown to be valuable in reduction of radiation-induced damage and also provide prophylactic alternative treatment for serious side effects related with radiotherapy. It has been suggested that the radioprotective activity of bee venom components is related with the stimulation of the hematopoetic system.

  4. Lithium ion intercalation in thin crystals of hexagonal TaSe2 gated by a polymer electrolyte

    Science.gov (United States)

    Wu, Yueshen; Lian, Hailong; He, Jiaming; Liu, Jinyu; Wang, Shun; Xing, Hui; Mao, Zhiqiang; Liu, Ying

    2018-01-01

    Ionic liquid gating has been used to modify the properties of layered transition metal dichalcogenides (TMDCs), including two-dimensional (2D) crystals of TMDCs used extensively recently in the device work, which has led to observations of properties not seen in the bulk. The main effect comes from the electrostatic gating due to the strong electric field at the interface. In addition, ionic liquid gating also leads to ion intercalation when the ion size of the gate electrolyte is small compared to the interlayer spacing of TMDCs. However, the microscopic processes of ion intercalation have rarely been explored in layered TMDCs. Here, we employed a technique combining photolithography device fabrication and electrical transport measurements on the thin crystals of hexagonal TaSe2 using multiple channel devices gated by a polymer electrolyte LiClO4/Polyethylene oxide (PEO). The gate voltage and time dependent source-drain resistances of these thin crystals were used to obtain information on the intercalation process, the effect of ion intercalation, and the correlation between the ion occupation of allowed interstitial sites and the device characteristics. We found a gate voltage controlled modulation of the charge density waves and a scattering rate of charge carriers. Our work suggests that ion intercalation can be a useful tool for layered materials engineering and 2D crystal device design.

  5. Rare earth and zinc layered hydroxide salts intercalated with the 2-aminobenzoate anion as organic luminescent sensitizer

    Energy Technology Data Exchange (ETDEWEB)

    Cursino, Ana Cristina Trindade, E-mail: anacursino@ufpr.br [CEPESQ – Research Centre of Applied Chemistry, Department of Chemistry, Universidade Federal do Paraná – P.O. Box 19081, 81531-980 Curitiba, PR (Brazil); Rives, Vicente, E-mail: vrives@usal.es [GIR-QUESCAT – Department of Inorganic Chemistry, Universidad de Salamanca, Plaza de la Merced S/N, 37998 Salamanca (Spain); Arizaga, Gregorio Guadalupe Carbajal, E-mail: gregoriocarbajal@yahoo.com.mx [Universidad de Guadalajara, Department of Chemistry, Boulevard Marcelino García Barragán 1421, C.P. 44430 Guadalajara, Jalisco (Mexico); Trujillano, Raquel, E-mail: rakel@usal.es [GIR-QUESCAT – Department of Inorganic Chemistry, Universidad de Salamanca, Plaza de la Merced S/N, 37998 Salamanca (Spain); Wypych, Fernando, E-mail: wypych@ufpr.br [CEPESQ – Research Centre of Applied Chemistry, Department of Chemistry, Universidade Federal do Paraná – P.O. Box 19081, 81531-980 Curitiba, PR (Brazil)

    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.

  6. Rare earth and zinc layered hydroxide salts intercalated with the 2-aminobenzoate anion as organic luminescent sensitizer

    International Nuclear Information System (INIS)

    Cursino, Ana Cristina Trindade; Rives, Vicente; Arizaga, Gregorio Guadalupe Carbajal; Trujillano, Raquel; Wypych, Fernando

    2015-01-01

    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

  7. Hydrogen intercalation of single and multiple layer graphene synthesized on Si-terminated SiC(0001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Sołtys, Jakub; Piechota, Jacek; Ptasinska, Maria [Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, Pawińskiego 5a, 02-106 Warsaw (Poland); Krukowski, Stanisław, E-mail: stach@unipress.waw.pl [Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, Pawińskiego 5a, 02-106 Warsaw (Poland); Institute of High Pressure Physics, Polish Academy of Sciences, Sokołowska 29/37, 01-142 Warsaw (Poland)

    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.

  8. Investigating continuous co-intercalation of solvated lithium ions and graphite exfoliation in propylene carbonate-based electrolyte solutions

    Science.gov (United States)

    Song, Hee-Youb; Jeong, Soon-Ki

    2018-01-01

    Forming an effective solid electrolyte interphase (SEI) is a significant issue in lithium ion batteries that utilize graphite as a negative electrode material, because the SEI determines the reversibility of the intercalation and de-intercalation of lithium ions into graphite for secondary batteries. In propylene carbonate (PC)-based electrolyte solutions, ceaseless co-intercalation of solvated lithium ions takes place because no effective SEI is formed. It is indisputable that this continuous co-intercalation leads to graphite exfoliation; however, the reason for this is currently not well understood. In this study, we investigate interfacial reactions that contribute to SEI formation on highly oriented pyrolytic graphite (HOPG) in ethylene carbonate (EC) and PC-based electrolyte solutions by in situ atomic force microscopy. The blisters formed on HOPG after the decomposition of solvated lithium ions within the graphite layers do not change over the course of ten electrochemical cycles in an EC-based electrolyte solution. In contrast, when cycling in PC-based electrolytes, the blisters continually change, and the height at the vicinity of the graphite edge plane increases. These morphological changes are attributed to the continuous co-intercalation of solvated lithium ions in PC-based electrolyte solutions.

  9. Methotrexatum intercalated layered double hydroxides: Statistical design, mechanism explore and bioassay study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiao-Feng [Department of Gastroenterology, Weihai municipal hospital, Weihai 264200 (China); Liu, Su-Qing [Jiangsu Key Laboratory of Biofunctional Material, College of Chemistry and Material Science, Nanjing Normal University, Nanjing 210023 (China); Li, Shu-Ping, E-mail: lishuping@njnu.edu.cn [Jiangsu Key Laboratory of Biofunctional Material, College of Chemistry and Material Science, Nanjing Normal University, Nanjing 210023 (China)

    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. - Graphical abstract: Schematic illustration of synthesis and properties of MTX intercalated LDH hybrids. - Highlights: • Increasing NaOH solution gives rise to high drug-loading capacity. • Increasing the alkali solution leads to high layer charge and regular morphology. • The monodispersity has critical effect on the tumor suppression efficiency.

  10. Renal type a intercalated cells contain albumin in organelles with aldosterone-regulated abundance.

    Directory of Open Access Journals (Sweden)

    Thomas Buus Jensen

    Full Text Available 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.

  11. Bonding between graphene and MoS2 monolayers without and with Li intercalation

    International Nuclear Information System (INIS)

    Ahmed, Towfiq; Modine, N. A.; Zhu, Jian-Xin

    2015-01-01

    We performed density functional theory (DFT) calculations for a bi-layered heterostructure combining a graphene layer with a MoS 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 2 monolayer. For the combined graphene/MoS 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 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 2 . We also find that intercalating Li ions in between the layers of the graphene/MoS 2 heterostructure enhances the binding energy through orbital hybridizations between cations (Li adatoms) and anions (graphene and MoS 2 monolayers). Moreover, we calculate the dielectric function of the Li intercalated graphene/MoS 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 2 heterostructure

  12. Synthesis and structural characterization of coaxial nano tubes intercalated of molybdenum disulfide with carbon

    International Nuclear Information System (INIS)

    Reza San German, C.M.

    2005-01-01

    In this work the study of some fundamental aspects in the growth of unidimensional systems of coaxial nano tubes from the mold method is approached. This method is an inclusion technique of a precursor reagent into oxide nano porous alumina film (mold), and later applying some processes of synthesis it is gotten to obtain the wished material. The synthesized structures are identified later because they take place by means of the initial formation of nano tubes of MoS 2 , enclosing to carbon nano tubes by the same method, with propylene flow which generates a graphitization process that 'copy' the mold through as it flows. Binary phase MoS 2 + C nano tubes were synthesized by propylene pyrolysis inside MoS 2 nano tubes prepared by template assisted technique. The large coaxial nano tubes constituted of graphite sheets inserted between the MoS 2 layers forming the outer part, and coaxial multi wall carbon nano tubes (MWCNT) intercalated with MoS 2 inside. High resolution electron microscopy (HRTEM), electron energy loss spectroscopy (EELS), high angle annular dark field (HAADF), gatan image filter (GIF), nano beam electron diffraction patterns (NBEDP), along with molecular dynamics simulation and quantum mechanical calculations were used to characterize the samples. The one-dimensional structures exhibit diverse morphologies such as long straight and twisted nano tubes with several structural irregularities. The inter-planar spacing between MoS 2 layers was found to increase from 6.3 to 7.4 A due to intercalation with carbon. Simulated HREM images revealed the presence of these twisted nano structures, with mechanical stretch into intercalate carbon between MoS 2 layers. Our results open up the possibility of using MoS 2 nano tubes as templates for the synthesis of new one- dimensional binary phase systems. (Author)

  13. Molecular Simulation Models of Carbon Dioxide Intercalation in Hydrated Sodium Montmorillonite

    Energy Technology Data Exchange (ETDEWEB)

    Myshakin, Evgeniy [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Saidi, Wissam [Univ. of Pittsburgh, PA (United States); Romanov, Vyacheslav [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Cygan, Randall [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Jordan, Kenneth [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Univ. of Pittsburgh, PA (United States); Guthrie, George [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-11-22

    In this study, classical molecular dynamics simulations and density functional theory (DFT)-based molecular dynamics are used to elucidate the process of CO2 intercalation into hydrated Na-montmorillonite at P-T conditions relevant to geological formations suitable for CO2 storage. Of particular interest are the structural and transport properties of interlayer species after CO2 intercalation. The conducted simulations allowed the research team to quantify expansion/contraction of smectite as a function of CO2 and H2O compositions. The resulting swelling curves can be used to gauge the amount of stored CO2, compare it to the experiment, and estimate changes in geomechanical properties of the storage formation. The obtained results showed that the infrared signal of the asymmetric stretch vibration of CO2 molecule is extremely sensitive to the solvent environment. The extent of the frequency shift relative to the gas-phase value can be used to probe hydration level in the interlayer with intercalated CO2. Interaction of supercritical CO2 with brine in deep geological formations promotes an increase of hydrophobicity of clay surfaces. As a result of wettability alteration, estimated diffusion constants of CO2 and H2O increase with the increased CO2 load; this can contribute to faster migration of CO2 throughout the formation.

  14. Synthesis, characterization, and controlled release anticorrosion behavior of benzoate intercalated Zn-Al layered double hydroxides

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yi [Shandong Provincial Key Lab of Corrosion Science, Institute of Oceanology, Chinese Academy of Sciences, Qingdao 266071 (China); Zhang, Dun, E-mail: zhangdun@qdio.ac.cn [Shandong Provincial Key Lab of Corrosion Science, Institute of Oceanology, Chinese Academy of Sciences, Qingdao 266071 (China)

    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.

  15. Electrical and mechanical properties of poly(ethylene oxide)/intercalated clay polymer electrolyte

    International Nuclear Information System (INIS)

    Moreno, Mabel; Quijada, Raúl; Santa Ana, María A.; Benavente, Eglantina; Gomez-Romero, Pedro; González, Guillermo

    2011-01-01

    Highlights: ► Poly(ethylene oxide)/intercalated clay nanocomposite as filler in solid poly(ethylene oxide) electrolytes. ► Nanocomposite filler improves mechanical properties, transparency, and conductivity of poly(ethylene oxide) electrolyte films. ► Nanocomposite is more effective than unmodified clay in improving polymer electrolyte properties. ► Low Li/polymer ratio avoids crystalline Li complexes, so effects mainly arise from the polymer. ► High nanocomposite/poly(ethylene oxide)-matrix affinity enhances microhomogeneity in the polyelectrolyte. - Abstract: Solvent-free solid polymer electrolytes (SPEs) based on two different poly(ethylene oxide), PEO Mw 600,000 and 4,000,000 and intercalated clays are reported. The inorganic additives used were lithiated bentonite and the nanocomposite PEO-bentonite with the same polymer used as matrix. SPE films, obtained in the scale of grams by mixing the components in a Brabender-type batch mixer and molding at 130 °C, were characterized by X-ray diffraction analysis, UV–vis spectroscopy, and thermal analysis. During the preparation of the films, the unmodified clay got intercalated in situ. Comparative analysis of ionic conductivity and mechanical properties of the films show that the conductivity increases with the inclusion of fillers, especially for the polymer with low molecular weight. This effect is more pronounced when using PEO-bentonite as additive. Under selected work conditions, avoiding the presence of crystalline lithium complexes, observed effects are mainly centered on the polymer. An explanation, considering the higher affinity between the modified clay and PEO matrix which leads to differences in the micro homogeneity degree between both types of polymer electrolytes is proposed.

  16. Agent Building Software

    Science.gov (United States)

    2000-01-01

    AgentBuilder is a software component developed under an SBIR contract between Reticular Systems, Inc., and Goddard Space Flight Center. AgentBuilder allows software developers without experience in intelligent agent technologies to easily build software applications using intelligent agents. Agents are components of software that will perform tasks automatically, with no intervention or command from a user. AgentBuilder reduces the time and cost of developing agent systems and provides a simple mechanism for implementing high-performance agent systems.

  17. Reductive and Oxidative DNA Damage by Photoactive Platinum(II) Intercalators

    OpenAIRE

    Lu, Wei; Vicic, David A.; Barton, Jacqueline K.

    2005-01-01

    Several photoactive platinum R-diimine intercalators have been prepared to develop new probes of DNA oxidation and reduction chemistry. Five water-soluble bis(mes')Pt(II) complexes (mes') N,N,N,3,5-pentamethylaniline) with various aromatic α-diimine ligands (dppz= dipyridophenazine, np = naphtha[2,3-f][1,ω]phenanthroline, CN-np = naphtho[2,3-f][1,10]phenanthroline-9-carbonitrile, CN_2-np = naphtho[2,3-f][1,10]phenanthroline-9,14-dicarbonitrile, and bp = benzo-[f][1,10]phenanthroline) were syn...

  18. Unforeseen high temperature and humidity stability of FeCl3 intercalated few layer graphene

    DEFF Research Database (Denmark)

    Wehenkel, Dominique Joseph; Bointon, Thomas Hardisty; Booth, Tim

    2015-01-01

    microscopy and Raman spectroscopy conclusively demonstrate the unforseen stability of this transparent conductor to a relative humidity up to 100% at room temperature for 25 days, to a temperature up to 150 degrees C in atmosphere and to a temperature as high as 620 degrees C in vacuum, that is more than......We present the first systematic study of the stability of the structure and electrical properties of FeCl3 intercalated few-layer graphene to high levels of humidity and high temperature. Complementary experimental techniques such as electrical transport, high resolution transmission electron...

  19. Resistive anomalies and phase transitions in potassium-intercalated benzene-derived graphite fibers

    Science.gov (United States)

    Olsen, Randall B.; McQuillan, Barry W.; Chin, Jack; Woolf, Lawrence D.

    1986-04-01

    The resistivity of substantially single-stage potassium-intercalated benzene-derived graphite fibers (BDF's) between 6 and 300 K is presented. Single resistive anomalies are found in second-, third-, fifth-, and sixth-stage fibers but are not found in first-stage fibers. The temperatures of the observed anomalies show some correlation with those previously seen in highly oriented pyrolytic graphite (HOPG). However, the pairs of resistive anomalies typically seen in HOPG are not observed in BDF's except for the fourth stage.

  20. Crystal structure of a four-stranded intercalated DNA: d(C4)

    Science.gov (United States)

    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.

  1. Synthesis and Characterization of Graphene Thin Films by Chemical Reduction of Exfoliated and Intercalated Graphite Oxide

    Directory of Open Access Journals (Sweden)

    F. T. Thema

    2013-01-01

    Full Text Available Commercial flakes of graphite were prepared into functionalized graphene oxide (GO by chemical treatment. After the exfoliation and intercalation of graphene into functionalized graphene oxide that formed stable colloidal dispersion in polar aprotic solvent, the reduction process was undertaken by continuous stirring with hydrazine hydrate. The reduced material was characterized by X-ray diffraction (XRD, attenuated total reflectance (ATR FT-IR, ultraviolet visible (UV-vis, atomic force microscopy (AFM and Raman spectroscopy which confirm the oxidation of graphite and reduction of graphene oxide into graphene sheet.

  2. Preparation of Mg/Al-LDHs intercalated with dodecanoic acid and investigation of its antiwear ability

    International Nuclear Information System (INIS)

    Zhao, Dong; Bai, Zhimin; Zhao, Fuyan

    2012-01-01

    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 3 − -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 3 − (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 3 − -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.

  3. Mechanical exfoliation of epitaxial graphene on Ir(111) enabled by Br2 intercalation.

    Science.gov (United States)

    Herbig, Charlotte; Kaiser, Markus; Bendiab, Nedjma; Schumacher, Stefan; Förster, Daniel F; Coraux, Johann; Meerholz, Klaus; Michely, Thomas; Busse, Carsten

    2012-08-08

    We show here that Br(2) intercalation is an efficient method to enable exfoliation of epitaxial graphene on metals by adhesive tape. We exemplify this method for high-quality graphene of macroscopic extension on Ir(111). The sample quality and the transfer process are monitored using low-energy electron diffraction (LEED), scanning tunneling microscopy (STM), scanning electron microscopy (SEM) and Raman spectroscopy. The developed process provides an opportunity for preparing graphene of strictly monatomic thickness and well-defined orientation including the transfer to poly(ethylene terephthalate) (PET) foil.

  4. Copper-mediated reductive dechlorination by green rust intercalated with dodecanoate

    DEFF Research Database (Denmark)

    Huang, Li-Zhi; Yin, Zhou; Cooper, Nicola G A

    2018-01-01

    A layered FeII-FeIII hydroxide (green rust, GR) was intercalated with dodecanoate (known as GRC12) and then amended with CuII (GRC12(Cu)) before reaction with chloroform (CF), carbon tetrachloride (CT), trichloroethylene (TCE) or tetrachloroethylene (PCE). Reduction of CT by GRC12(Cu) was 37 times...... faster than with GRC12 alone before the active Cu species was consumed. The Cu mediated reaction followed the dichloroelimination pathway as observed for GRC12 alone, with carbon monoxide (82.5%) and formate (26.6%) as main degradation products. Also, CF was reduced by GRC12(Cu), which is not seen...

  5. Intercalated Nanocomposites Based on High-Temperature Superconducting Ceramics and Their Properties

    Directory of Open Access Journals (Sweden)

    Sevan Davtyan

    2009-12-01

    Full Text Available High temperature superconducting (SC nanocomposites based on SC ceramics and various polymeric binders were prepared. Regardless of the size of the ceramics’ grains, the increase of their amount leads to an increase of resistance to rupture and modulus and a decrease in limiting deformation, whereas an increase in the average ceramic grain size worsens resistance properties. The SC, thermo-chemical, mechanical and dynamic-mechanical properties of the samples were investigated. Superconducting properties of the polymer ceramic nanocomposites are explained by intercalation of macromolecule fragments into the interstitial layer of the ceramics’ grains. This phenomenon leads to a change in the morphological structure of the superconducting nanocomposites.

  6. Viral persistence in surface and drinking water: Suitability of PCR pre-treatment with intercalating dyes.

    Science.gov (United States)

    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

  7. Lithium intercalation and interfacial kinetics of composite anodes formed by oxidized graphite and copper

    Energy Technology Data Exchange (ETDEWEB)

    Mancini, M.; Nobili, F.; Dsoke, S.; Tossici, R.; Marassi, R. [Dipartimento di Scienze Chimiche, Universita di Camerino, Via S. Agostino, 1, 62032 Camerino (MC) (Italy); D' Amico, F. [Dipartimento di Fisica, Universita di Camerino, Via Madonna delle Carceri, 9, 62032 Camerino (MC) (Italy); Croce, F. [Dipartimento di Scienze del Farmaco, Universita degli Studi ' ' G. D' Annunzio' ' , Via dei Vestini, 31, 66013 Chieti (Italy)

    2009-05-01

    The electrochemical behavior of composite anodes prepared either by mixing partially oxidized graphite and Cu powders or by coating the pristine partially oxidized graphite electrodes with few-nanometer-thick Cu layers has been studied by slow-scan-rate cyclic voltammetry (SSCV) and galvanostatic charge/discharge cycles over the temperature range of -30 C to 20 C. The interfacial intercalation/deintercalation kinetics has also been investigated using electrochemical impedance spectroscopy (EIS). The role of the Cu in improving low-temperature performances and kinetics of graphite electrodes is discussed. (author)

  8. STUDYING THE INFLUENCE OF THE PYRENE INTERCALATOR TINA ON THE STABILITY OF DNA i-MOTIFS

    DEFF Research Database (Denmark)

    El-Sayed, Ahmed A.; Pedersen, Erik Bjerregaard; Khaireldin, Nahid A.

    2012-01-01

    Certain cytosine-rich (C-rich) DNA sequences can fold into secondary structures as four-stranded i-motifs with hemiprotonated base pairs. Here we synthesized C-rich TINA-intercalating oligonucleotides by inserting a nonnucleotide pyrene moiety between two C-rich regions. The stability of their i......-motif structures was studied by using UV melting temperature measurements and circular dichroism spectra at different pH values under noncrowding and crowding conditions (20% poly(ethylene glycol)). When TINA ((R)-3-((4-(1-pyrenylethynyl)benzyl)oxy) propane-1,2-diol) is inserted, the oligonucleotides could form...

  9. Unconventional quantized edge transport in the presence of inter-edge coupling in intercalated graphene

    OpenAIRE

    Li, Yuanchang

    2016-01-01

    It is generally believed that the inter-edge coupling destroys the quantum spin Hall (QSH) effect along with the gap opening at the Dirac points. Using first-principles calculations, we find that the quantized edge transport persists in the presence of inter-edge coupling in Ta intercalated epitaxial graphene on SiC(0001), being a QSH insulator with the non-trivial gap of 81 meV. In this case, the band is characterized by two perfect Dirac cones with different Fermi velocities, yet only one m...

  10. Layered materials with improved magnesium intercalation for rechargeable magnesium ion cells

    Science.gov (United States)

    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.

  11. Competing agents in agent-mediated institutions

    OpenAIRE

    Plaza, Enric; Arcos, Josep Ll.; Noriega, Pablo; Sierra, Carles

    1998-01-01

    Social processes and agent interaction always take place in a specific context. A school of thought in social studies analyses them in the framework of institutions. We present in this paper the notion of agentmediated institutions and show how it is relevant for multi-agent systems (MAS) in general and, more specifically, for MAS that include human agents and software agents involved in socioeconomic interactions. We show how the social interactions of human and software agents taking place ...

  12. Stable loop in the crystal structure of the intercalated four-stranded cytosine-rich metazoan telomere

    Science.gov (United States)

    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.

  13. Optical contrast spectra studies for determining thickness of stage-1 graphene-FeCl{sub 3} intercalation compounds

    Energy Technology Data Exchange (ETDEWEB)

    Han, Wen-Peng, E-mail: han-wenpeng@163.com, E-mail: yunze.long@163.com; Yan, Xu; Zhao, Hui [College of Physics, Qingdao University, Qingdao 266071 (China); Li, Qiao-Qiao; Lu, Yan [State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083 (China); Long, Yun-Ze, E-mail: han-wenpeng@163.com, E-mail: yunze.long@163.com [College of Physics, Qingdao University, Qingdao 266071 (China); Collaborative Innovation Center for Low-Dimensional Nanomaterials and Optoelectronic Devices, Qingdao University, Qingdao 266071 (China)

    2016-07-15

    Because of novel features in their structural, electronic, magnetic and optical properties, especially potential applications in nanoelectronics, the few-layer graphene intercalation compounds (FLGICs) have been intensively studied recently. In this work, the dielectric constant of the doped graphene of stage-1 FeCl{sub 3}-GIC is obtained by fitting the optical contrast spectra. And fully intercalated stage-1 FeCl{sub 3}-FLGICs were prepared by micromechanical cleavage method from graphite intercalation compounds (GICs) for the first time. Finally, we demonstrated that the thickness of stage-1 FeCl{sub 3}-GICs by micromechanical cleavage can be determined by optical contrast spectra. This method also can be used to other FLGICs, such as SbCl{sub 5}-FLGICs and AuCl{sub 5}-FLGICs, etc.

  14. Hexagonal boron nitride intercalated multi-layer graphene: a possible ultimate solution to ultra-scaled interconnect technology

    Directory of Open Access Journals (Sweden)

    Yong-Jun Li

    2012-03-01

    Full Text Available We proposed intercalation of hexagonal boron nitride (hBN in multilayer graphene to improve its performance in ultra-scaled interconnects for integrated circuit. The effect of intercalated hBN layer in bilayer graphene is investigated using non-equilibrium Green's functions. We find the hBN intercalated bilayer graphene exhibit enhanced transport properties compared with pristine bilayer ones, and the improvement is attributed to suppression of interlayer scattering and good planar bonding condition of inbetween hBN layer. Based on these results, we proposed a via structure that not only benefits from suppressed interlayer scattering between multilayer graphene, but also sustains the unique electrical properties of graphene when many graphene layers are stacking together. The ideal current density across the structure can be as high as 4.6×109 A/cm2 at 1V, which is very promising for the future high-performance interconnect.

  15. Time-resolved in situ studies of oxygen intercalation into SrCoO2.5, performed by neutron diffraction and X-ray absorption spectroscopy.

    Science.gov (United States)

    Le Toquin, Ronan; Paulus, Werner; Cousson, Alain; Prestipino, Carmelo; Lamberti, Carlo

    2006-10-11

    Electrochemical oxidation of the antiferromagnetically ordered SrCoO(2.5), with brownmillerite-type structure, to the cubic ferromagnet SrCoO(3), with perovskite structure, has been investigated in situ by neutron diffraction as well as by X-ray absorption fine structure (XAFS) spectroscopy in specially designed electrochemical cells. The neutron diffraction experiments were performed twice, using two different wavelengths (lambda = 1.2921(2) and 4.74 A) in order to better discriminate structural and magnetic changes as functions of the charge transfer. From the neutron diffraction experiments, two intermediate phases, SrCoO(2.75) and SrCoO(2.82)(+/-)(0.07), were characterized. No superstructure reflections were observed for the corresponding SrCoO(2.75) phase. Instead we observed here, for the first time, 3D oxygen ordering during an oxygen intercalation reaction, as established for SrCoO(2.82)(+/-)(0.07), which can be described as a tetragonal unit cell, related to the perovskite cell by a approximately 2(a radical2) and c approximately 2a. The structure of this intermediate phase confirms the strongly topotactic character of the oxygen intercalation reaction. We were also able to prove, from in situ XAFS spectroscopy at the Co absorption edge, that the evolution of the Co valence state from formally +3 for SrCoO(2.5) to +4 for the final reaction product (SrCoO(3.0)) does not proceed continuously but gives evidence for the formation of O(-) species for stoichiometries corresponding to SrCoO(2.82)(+/-)(0.07). The use of neutrons (vs X-rays) in the diffraction experiments and the choice of the transmission (vs fluorescence) mode in the XAFS experiment guarantee that the obtained data well represent bulk and not just surface properties.

  16. Metal porphyrin intercalated reduced graphene oxide nanocomposite utilized for electrocatalytic oxygen reduction

    Directory of Open Access Journals (Sweden)

    Mingyan Wang

    2017-07-01

    Full Text Available In this paper, we report a simple and facile self-assembly method to successfully fabricate cationic metal porphyrin –MtTMPyP (Mt= Cobalt (II, Manganese (III, or Iron (III; TMPyP = 5, 10, 15, 20-tetrakis (N-methylpyridinium-4-yl porphyrin intercalated into the layer of graphene oxide (GO by the cooperative effects of electrostatic and π–π stacking interaction between positively charged metal porphyrin and negatively charged GO sheets. Followed by reduction with hydrazine vapor, a series of novel 2D MtTMPyP/rGOn were fabricated. The as-prepared 2D hybrids were fully characterized and tested as non-noble metal catalysts for oxygen reduction reaction (ORR in an alkaline medium. The MtTMPyP/rGOn hybrids, especially CoTMPyP/rGO5, demonstrated an improved electrocatalytic activity for ORR and a number of exchanged electrons close to 4-electron reaction, increased stability and excellent tolerance to methanol, showing a potential alternative catalyst for ORR in fuel cells and air batteries. Keywords: Metal porphyrin, Reduced graphene oxide, Intercalation, Oxygen reduction reaction, Catalyst

  17. Intercalation and Retention of Carbon Dioxide in a Smectite Clay promoted by Interlayer Cations

    Science.gov (United States)

    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.

    2015-03-01

    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.

  18. Pitx2, an atrial fibrillation predisposition gene, directly regulates ion transport and intercalated disc genes.

    Science.gov (United States)

    Tao, Ye; Zhang, Min; Li, Lele; Bai, Yan; Zhou, Yuefang; Moon, Anne M; Kaminski, Henry J; Martin, James F

    2014-02-01

    Pitx2 is the homeobox gene located in proximity to the human 4q25 familial atrial fibrillation (AF) locus. When deleted in the mouse germline, Pitx2 haploinsufficiency predisposes to pacing-induced AF, indicating that reduced Pitx2 promotes an arrhythmogenic substrate. Previous work focused on Pitx2 developmental functions that predispose to AF. Although Pitx2 is expressed in postnatal left atrium, it is unknown whether Pitx2 has distinct postnatal and developmental functions. 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 AF 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 AF 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 patients with AF. 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.

  19. The importance of the active surface area of graphite materials in the first lithium intercalation

    Energy Technology Data Exchange (ETDEWEB)

    Novak, P.; Ufheil, J.; Buqa, H. [Paul Scherrer Institut, Electrochemistry Laboratory, CH-5232 Villigen PSI (Switzerland); Krumeich, F. [ETH Zuerich, Laboratory of Inorganic Chemistry, CH-8093 Zurich (Switzerland); Spahr, M.E.; Goers, D.; Wilhelm, H.; Vix-Guterl, C. [TIMCAL SA, CH-6743 Bodio TI (Switzerland); Dentzer, J.; Gadiou, R. [Institut de Chimie des Surfaces et Interfaces, CNRS UPR 9069, F-68057 Mulhouse Cedex (France)

    2007-12-06

    When lithium is intercalated into graphite in ethylene carbonate (EC) containing electrolytes, solvent co-intercalation leading to the exfoliation of the graphite structure could occur. The exfoliation can be suppressed if an efficient solid electrolyte interphase (SEI, a passivation layer) is formed. Here we study the role played by the active surface area (ASA) of graphite materials during their first electrochemical reduction. ASA (related to the presence of defects at the carbon surface) appears as a critical graphite surface parameter influencing the surface passivation mechanism and the graphite exfoliation. The ASA of TIMREX {sup registered} SLX50 synthetic graphite was modified by thermal treatment in argon and air. The electrochemical performance was characterized in 1 M LiPF{sub 6}, EC:DMC electrolyte and post mortem analyses were performed by SEM imaging. It turned out that a decrease of the graphite ASA, i.e., an increase of the graphite structural order, hinders the formation of the passivation layer and favors the exfoliation process. In contrast, the exfoliation of the same graphite can be suppressed if its ASA is increased for example by air treatment. The ASA of the graphite kinetically controls the formation of an efficient SEI film and accordingly the irreversible charge loss is much lower in the case of graphite with a high ASA value. (author)

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

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Chao-Fan; Tian, De-Ying; Li, Shu-Ping, E-mail: lishuping@njnu.edu.cn; 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. - Highlights: • Surfactants could be used to modify the dispersing state of MTX/LDHs hybrids. • Surfactants have great effect on the morphology of MTX/LDHs hybrids. • MTX/LDHs with good monodisperse degree are more efficient in the suppression of the tumor cells.

  1. Neutron scattering investigation of layer-bending modes in alkali-metal--graphite intercalation compounds

    International Nuclear Information System (INIS)

    Zabel, H.; Kamitakahara, W.A.; Nicklow, R.M.

    1982-01-01

    Phonon dispersion curves for low-frequency transverse modes propagating in the basal plane have been measured in the alkali-metal--graphite intercalation compounds KC 8 , CsC 8 , KC 24 , and RbC 24 by means of neutron spectroscopy. The acoustic branches show an almost quadratic dispersion relation at small q, characteristic of strongly layered materials. The optical branches of stage-1 compounds can be classified as either graphitelike branches showing dispersion, or as almost dispersionless alkali-metal-like modes. Macroscopic shear constants C 44 and layer-bending moduli have been obtained for the intercalation compounds by analyzing the data in terms of a simple semicontinuum model. In stage-2 compounds, a dramatic softening of the shear constant by about a factor of 8 compared with pure graphite has been observed. Low-temperature results on KC 24 indicate the opening of a frequency gap near the alkali-metal Brillouin-zone boundary, possibly due to the formation of the alkali-metal superstructure

  2. Heterogeneous photocatalytic degradation of pesticides using decatungstate intercalated macroporous layered double hydroxides.

    Science.gov (United States)

    Da Silva, Eliana S; Prevot, Vanessa; Forano, Claude; Wong-Wah-Chung, Pascal; Burrows, Hugh D; Sarakha, Mohamed

    2014-10-01

    Decatungstate W10O32(4-) was efficiently intercalated between the layers of three-dimensionally ordered macroporous Mg2Al-layered double hydroxide. The structural and textural properties of as-prepared intercalated compound were characterized using different solid-state characterization techniques such as X-ray powder diffraction, FTIR and Raman spectroscopies and electronic microscopy. The photocatalytic properties of immobilized W10O32 (4-) within Mg2Al structure were investigated using 2-(1-naphthyl) acetamide (NAD) as a model of pesticide. The influence of different parameters such as amount of catalyst, pH and oxygen concentration were investigated. An optimal NAD degradation was obtained for a photocatalyst concentration of 60 mg l(-1). Under our experimental conditions, this heterogeneous photocatalyst induces photodegradation of 60 % of NAD after 17 h of irradiation at 365 nm and at pH 6.6. Interestingly, pesticide photodegradation leads to the mineralization of substrates to H2O and CO2 and the photocatalyst can be recycled and reused without any loss of activity over four cycles.

  3. Biocompatible nanocomposite of carboxymethyl cellulose and functionalized carbon-norfloxacin intercalated layered double hydroxides.

    Science.gov (United States)

    Allou, N'guadi Blaise; Yadav, Archana; Pal, Mintu; Goswamee, Rajib Lochan

    2018-04-15

    In recent years, the development of systems with progressive drug release properties, which is an effective technique for the use of drugs, has aroused great interest in the field of controlled release formulations. In this work, hybrid materials containing citric acid cross-linked carboxymethyl cellulose (CMC) and norfloxacin (NOR) intercalated layered double hydroxide (LDH) deposited over the surface of functionalized carbon (AC) were prepared. The synthesized CMC@AC-LDHNOR nanohybrids were characterized using different techniques and in vitro NOR release behaviors were investigated in phosphate buffer saline, pH 7.4 at 37 °C. On the basis of the release profiles, it was found that NOR release was delayed when it was intercalated in AC-LDH which in presence of modified CMC decreases further. The nanohybrids indicated enhancement of antibacterial activity against gram-negative and gram-positive bacteria. The MTT assay showed their non-toxic behavior against ovarian normal epithelial and cancer cells, suggesting their potential use as drug carriers. Copyright © 2018 Elsevier Ltd. All rights reserved.

  4. Final Scientific/Technical Report for Low Cost, High Capacity Non- Intercalation Chemistry Automotive Cells

    Energy Technology Data Exchange (ETDEWEB)

    Berdichevsky, Gene

    2017-09-08

    Commercial Li-ion batteries typically use Ni- and Co-based intercalation cathodes. As the demand for improved performance from batteries increases, these cathode materials will no longer be able to provide the desired energy storage characteristics since they are currently approaching their theoretical limits. Conversion cathode materials are prime candidates for improvement of Li-ion batteries. On both a volumetric and gravimetric basis they have higher theoretical capacity than intercalation cathode materials. Metal fluoride (MFx) cathodes offer higher specific energy density and dramatically higher volumetric energy density. Challenges associated with metal fluoride cathodes were addressed through nanostructured material design and synthesis. A major goal of this project was to develop and demonstrate Li-ion cells based on Si-comprising anodes and metal fluoride (MFx) comprising cathodes. Pairing the high-capacity MFx cathode with a high-capacity anode, such as an alloying Si anode, allows for the highest possible energy density on a cell level. After facing and overcoming multiple material synthesis and electrochemical instability challenges, we succeeded in fabrication of MFx half cells with cycle stability in excess of 500 cycles (to 20% or smaller degradation) and full cells with MFx-based cathodes and Si-based anodes with cycle stability in excess of 200 cycles (to 20% or smaller degradation).

  5. Design of Perovskite Oxides as Anion-Intercalation-Type Electrodes for Supercapacitors: Cation Leaching Effect.

    Science.gov (United States)

    Liu, Yu; Dinh, Jim; Tade, Moses O; Shao, Zongping

    2016-09-14

    Oxygen ions can be exploited as a charge carrier to effectively realize a new type of anion-intercalation supercapacitor. In this study, to get some useful guidelines for future materials development, we comparatively studied SrCoO3-δ (SC), Ba0.5Sr0.5Co0.8Fe0.2O3-δ (BSCF), and Co3O4 as electrodes in supercapacitors with aqueous alkaline electrolyte. The effect of interaction between the electrode materials with the alkaline solution was focused on the structure and specific surface area of the electrode material, and ultimately the electrochemical performance was emphasized. Both BSCF and SC were found to experience cation leaching in alkaline solution, resulting in an increase in the specific surface area of the material, but overleaching caused the damage of perovskite structure of BSCF. Barium leaching was more serious than strontium, and the cation leaching was component dependent. Although high initial capacitance was achieved for BSCF, it was not a good candidate as intercalation-type electrode for supercapacitor because of poor cycling stability from serious Ba(2+) and Sr(2+) leaching. Instead, SC was a favorable electrode candidate for practical use in supercapacitors due to its high capacity and proper cation leaching capacity, which brought beneficial effect on cycling stability. It is suggested that cation leaching effect should be seriously considered in the development of new perovskite materials as electrodes for supercapacitors.

  6. A DNA biosensor based on the electrocatalytic oxidation of amine by a threading intercalator

    International Nuclear Information System (INIS)

    Gao Zhiqiang; Tansil, Natalia

    2009-01-01

    An electrochemical biosensor for the detection of DNA based a peptide nucleic acid (PNA) capture probe (CP) modified indium tin oxide electrode (ITO) is described in this report. After hybridization, a threading intercalator, N,N'-bis[(3-propyl)-imidazole]-1,4,5,8-naphthalene diimide (PIND) imidazole complexed with Ru(bpy) 2 Cl (PIND-Ru, bpy = 2,2'-bipyridine), was introduced to the biosensor. PIND-Ru selectively intercalated to double-stranded DNA (ds-DNA) and became immobilized on the biosensor surface. Voltammetric tests showed highly stable and reversible electrochemical oxidation/reduction processes and the peak currents can directly be utilized for DNA quantification. When the tests were conducted in an amine-containing medium, Tris-HCl buffer for example, a remarkable improvement in the voltammetric response and noticeable enhancements of voltammetric and amperometric sensitivities were observed due to the electrocatalytic activity of the [Ru(bpy) 2 Cl] redox moieties. Electrocatalytic current was observed when as little as 3.0 attomoles of DNA was present in the sample solution

  7. Intercalating dye as an acceptor in quantum-dot-mediated FRET

    International Nuclear Information System (INIS)

    Lim, Teck Chuan; Bailey, Vasudev J; Wang, T-H; Ho, Y-P

    2008-01-01

    Fluorescence resonance energy transfer (FRET) is a popular tool to study intermolecular distances and characterize structural or conformational changes of biological macromolecules. We investigate a novel inorganic/organic FRET pair with quantum dots (QDs) as donors and DNA intercalating dyes, BOBO-3, as acceptors by using DNA as a linker. Typically, FRET efficiency increases with the number of stained DNA linked to a QD. However, with the use of intercalating dyes, we demonstrate that FRET efficiency at a fixed DNA:QD ratio can be further enhanced by increasing the number of dyes stained to a DNA strand through the use of an increased staining dye/bp ratio. We exploit this flexibility in the staining ratio to maintain a high FRET efficiency of >0.90 despite a sixfold decrease in DNA concentration. Having characterized this new QD-mediated FRET system, we test this system in a cellular environment using nanocomplexes generated by encapsulating DNA with commercial non-viral gene carriers. Using this novel FRET pair, we are able to monitor the configuration changes and fate of the DNA nanocomplexes during intracellular delivery, thereby providing an insight into the mechanistic study of gene delivery

  8. Analysis of Charge Transfer for in Situ Li Intercalated Carbon Nanotubes

    KAUST Repository

    Rana, Kuldeep

    2012-05-24

    Vertically aligned carbon nanotube (VA-CNT) arrays have been synthesized with lithium (Li) intercalation through an alcohol-catalyzed chemical vapor deposition technique by using a Li-containing catalyst. Scanning electron microscopy images display that synthesized carbon nanotubes (CNTs) are dense and vertically aligned. The effect of the Li-containing catalyst on VA-CNTs has been studied by using Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and electron energy loss spectroscopy (EELS). XPS results show the change in binding energy of Li 1s and C 1s peaks, which indicates that Li is inserted in VA-CNTs during growth. Analysis of Raman spectra reveals that the G-band profile of CNTs synthesized with the Li-containing catalyst is shifted, suggesting an electronic interaction between Li and neighboring C atoms of the CNTs. The EELS spectra of the C K edge and Li K edge from CNTs also confirmed that Li is inserted into CNTs during synthesis. We have performed ab inito calculations based on density functional theory for a further understanding of the structural and electronic properties of Li intercalated CNTs, especially addressing the controversial charge-transfer state between Li and C. © 2012 American Chemical Society.

  9. Topotactic synthesis of the overlooked multilayer silicene intercalation compound SrSi2.

    Science.gov (United States)

    Tokmachev, A M; Averyanov, D V; Karateev, I A; Parfenov, O E; Vasiliev, A L; Yakunin, S N; Storchak, V G

    2016-09-28

    Silicene, a 2D honeycomb lattice of Si atoms similar to graphene, is expected to be a platform for nanoelectronics and home to novel quantum phenomena. Unlike graphene, free-standing silicene is notoriously difficult to stabilize, while strong hybridization of silicene with substrates destroys its desirable properties. On the other hand, Dirac cones of silicene are effectively realized in a bulk - stoichiometric ionic multilayer silicene intercalation compound CaSi2. Besides, a number of new 2D silicene-based materials are synthesized employing CaSi2 as a precursor. However, the rather complex atomic structure of CaSi2 and fresh opportunities of physical and chemical breakthroughs drive the search for alternative compounds with silicene networks. Here, a new polymorph of SrSi2 is synthesized, enjoying both the structure of intercalated multilayer silicene and the simplest possible stacking of silicene sheets. The MBE-quality synthesis accomplished on Si(001) and Si(111) surfaces leads to epitaxial films of SrSi2 with orientation controlled by the substrate, as revealed by XRD, RHEED and electron microscopy studies. The structural SrSi2/Si relation is mirrored in the transport properties of the films.

  10. Engineering of (10-hydroxycamptothecin intercalated layered double hydroxide)@liposome nanocomposites with excellent water dispersity

    Science.gov (United States)

    Zhang, Yongfang; Wu, Xiaowen; Mi, Yuwei; Li, Haiping; Hou, Wanguo

    2017-09-01

    A hierarchical nanocomposite of 10-hydroxycamptothecin (HCPT), a nonionic and lipophilic anticancer drug, intercalated layered double hydroxide (LDH) encapsulated in liposomes was constructed. HCPT molecules were first incorporated into sodium cholate (Ch) micelles, and the resultant negatively charged HCPT-loaded Ch micelles were then co-assembled with positively charged LDH single-layer nanosheets, forming a HCPT/Ch intercalated LDH (HCPT-Ch-LDH) host-gest nanohybrid. The nanohybrid particles were further coated with liposomes (LSs), gaining a core-shell nanocomposite, denoted as (HCPT-Ch-LDH)@LS. The so-obtained samples were characterized using TEM, SAXS, FT-IR, DLS, and elemental analyses. Special emphasis was placed on the effect of liposome-coating for the HCPT-Ch-LDH on its water dispersity and drug-release. The results showed that the nanocomposite has excellent water dispersity and enhanced drug sustained-release performance in comparison with the HCPT-Ch-LDH, demonstrating that the liposome-coating for drug-LDH nanohybrids is an effective strategy to enhance their water dispersity and sustained-release performances. This work provides an effective strategy for engineering of LDH-based delivery systems for nonionic and lipophilic drugs.

  11. Two half-sandwiched ruthenium (II compounds containing 5-fluorouracil derivatives: synthesis and study of DNA intercalation.

    Directory of Open Access Journals (Sweden)

    Zhao-Jun Li

    Full Text Available Two novel coordination compounds of half-sandwiched ruthenium(II containing 2-(5-fluorouracil-yl-N-(pyridyl-acetamide were synthesized, and their intercalation binding modes with calf thymus DNA were revealed by hyperchromism of ultraviolet-visible spectroscopy; the binding constants were determined according to a Langmuir adsorption equation that was deduced on the base of careful cyclic voltammetry measurements. The two compounds exhibited DNA intercalation binding activities with the binding constants of 1.13×106 M-1 and 5.35 ×105 M-1, respectively.

  12. Tailor-made graphite oxide-DAB poly(propylene imine) dendrimer intercalated hybrids and their potential for efficient CO2 adsorption

    NARCIS (Netherlands)

    Tsoufis, T.; Katsaros, F.; Sideratou, Z.; Romanos, G.; Ivashenko, O.; Rudolf, P.; Kooi, B. J.; Papageorgiou, S.; Karakassides, M. A.

    2014-01-01

    We report the rational design and synthesis of DAB poly(propylene imine) dendrimer (DAB) intercalated graphite oxide (GO) hybrids with tailorable interlayer distances. The amine groups originating from the intercalated dendrimer molecules cross-link adjacent GO sheets and strongly favour CO2

  13. Classical molecular dynamics and quantum abs-initio studies on lithium-intercalation in interconnected hollow spherical nano-spheres of amorphous Silicon

    DEFF Research Database (Denmark)

    Bhowmik, Arghya; Malik, R.; Prakash, S.

    2016-01-01

    A high concentration of lithium, corresponding to charge capacity of ~4200 mAh/g, can be intercalated in silicon. Unfortunately, due to high intercalation strain leading to fracture and consequent poor cyclability, silicon cannot be used as anode in lithium ion batteries. But recently...

  14. The Effect of Single, Binary and Ternary Anions of Chloride, Carbonate and Phosphate on the Release of 2,4-Dichlorophenoxyacetate Intercalated into the Zn-Al-layered Double Hydroxide Nanohybrid.

    Science.gov (United States)

    Hussein, Mohd Zobir; Jaafar, Adila Mohamad; Yahaya, Asmah Hj; Zainal, Zulkarnain

    2009-08-04

    Intercalation of beneficial anion into inorganic host has lead to an opportunity to synthesize various combinations of new organic-inorganic nanohybrids with various potential applications; especially, for the controlled release formulation and storage purposes. Investigation on the release behavior of 2,4-dichlorophenoxyacetate (2,4-D) intercalated into the interlayer of Zn-Al-layered double hydroxide (ZAN) have been carried out using single, binary and ternary aqueous systems of chloride, carbonate and phosphate. The release behavior of the active agent 2,4-D from its double-layered hydroxide nanohybrid ZANDI was found to be of controlled manner governed by pseudo-second order kinetics. It was found that carbonate medium yielded the highest accumulated release of 2,4-D, while phosphate in combination with carbonate and/or nitrate speeds up the release rate of 2,4-D. These results indicate that it is possible to design and develop new delivery system of latex stimulant compound with controlled release property based on 2,4-D that is known as a substance to increase latex production of rubber tree, Hevea brasiliensis.

  15. The Effect of Single, Binary and Ternary Anions of Chloride, Carbonate and Phosphate on the Release of 2,4-Dichlorophenoxyacetate Intercalated into the Zn–Al-layered Double Hydroxide Nanohybrid

    Directory of Open Access Journals (Sweden)

    Zainal Zulkarnain

    2009-01-01

    Full Text Available Abstract Intercalation of beneficial anion into inorganic host has lead to an opportunity to synthesize various combinations of new organic–inorganic nanohybrids with various potential applications; especially, for the controlled release formulation and storage purposes. Investigation on the release behavior of 2,4-dichlorophenoxyacetate (2,4-D intercalated into the interlayer of Zn–Al-layered double hydroxide (ZAN have been carried out using single, binary and ternary aqueous systems of chloride, carbonate and phosphate. The release behavior of the active agent 2,4-D from its double-layered hydroxide nanohybrid ZANDI was found to be of controlled manner governed by pseudo-second order kinetics. It was found that carbonate medium yielded the highest accumulated release of 2,4-D, while phosphate in combination with carbonate and/or nitrate speeds up the release rate of 2,4-D. These results indicate that it is possible to design and develop new delivery system of latex stimulant compound with controlled release property based on 2,4-D that is known as a substance to increase latex production of rubber tree,Hevea brasiliensis.

  16. Immunological effects of hypomethylating agents.

    Science.gov (United States)

    Lindblad, Katherine E; Goswami, Meghali; Hourigan, Christopher S; Oetjen, Karolyn A

    2017-08-01

    Epigenetic changes resulting from aberrant methylation patterns are a recurrent observation in hematologic malignancies. Hypomethylating agents have a well-established role in the management of patients with high-risk myelodysplastic syndrome or acute myeloid leukemia. In addition to the direct effects of hypomethylating agents on cancer cells, there are several lines of evidence indicating a role for immune-mediated anti-tumor benefits from hypomethylating therapy. Areas covered: We reviewed the clinical and basic science literature for the effects of hypomethylating agents, including the most commonly utilized therapeutics azacitidine and decitabine, on immune cell subsets. We summarized the effects of hypomethylating agents on the frequency and function of natural killer cells, T cells, and dendritic cells. In particular, we highlight the effects of hypomethylating agents on expression of immune checkpoint inhibitors, leukemia-associated antigens, and endogenous retroviral elements. Expert commentary: In vitro and ex vivo studies indicate mixed effects on the function of natural killer, dendritic cells and T cells following treatment with hypomethylating agents. Clinical correlates of immune function have suggested that hypomethylating agents have immunomodulatory functions with the potential to synergize with immune checkpoint therapy for the treatment of hematologic malignancy, and has become an active area of clinical research.

  17. Lithium intercalation in the LiLaNb{sub 2}O{sub 7} perovskite structure; Intercalation du lithium dans la structure perovskite LiLaNb{sub 2}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Bohnke, C.; Bohnke, O.; Fourquet, J.L. [Universite du Maine, 72 - Le Mans (France). Laboratoire des Fluorures

    1996-12-31

    ABO{sub 3} perovskite-type oxides having vacancies in the A-sites of their structure are interesting candidates for solid electrolytes when their A-sites are occupied by Li{sup +} ions having a high mobility. This is the case with the [Li{sub 3x}La{sub 2/3-x}]TiO{sub 3} solid solution compound which has a 10{sup -3} S cm{sup -1} ionic conductivity at ambient temperature. Electrochemical intercalation in this material is possible thanks to the presence of Ti{sup 4+} but the small amount of vacancies (0.33 maximum) leads to a low intercalation rate. In order to solve this problem, the LiLaNb{sub 2}O{sub 7} material which has a greater amount of vacancies has been studied and the results relative to the electrochemical intercalation of lithium in this perovskite are presented. The thermodynamical and kinetics properties of the lithium intercalation reaction have been studied by intermittent galvano-static discharges and impedance spectroscopy in LiClO{sub 4}-propylene carbonate medium. (J.S.) 7 refs.

  18. Intercalated duct cell is starting point in development of pancreatic ductal carcinoma?

    Directory of Open Access Journals (Sweden)

    Yamaguchi Toshikazu

    2005-01-01

    Full Text Available Abstract Background Although it is well known that the pancreatic ductal carcinoma may develop having a relationship to the mucous gland hyperplasia (MGH with atypia (PanIN-1B by PanIN system, the starting point of this atypical MGH is unclear. To know it, we examined the pancreas tissue using many methods described below. Methods 1. Twenty-seven surgically resected pancreas tissue specimens, including pancreatic ductal carcinomas (PDC, chronic pancreatitis and normal pancreas, were investigated using immunohistochemical stainings for MUC1, MUC6, 45M1, Ki67 and p53. 2. DNA extraction and analysis of K-ras mutation at codon 12 using microdissection method: The paraffin blocks with 16 regions including the intercalated duct cell (IC adjacant to the atypical MGH were prepared for DNA extraction. Mutation of K-ras codon 12 was analized and compared in enriched polymerase chain reaction-enzyme-linked minisequence assay (PCR-ELMA. Results 1. In the normal pancreas, although no positive cell was seen in 45M1, p53, Ki67, the cytoplasm of IC were always positive for MUC1 and sometimes positive for MUC6. In the pancreas with fibrosis or inflammation, MGH was positive for MUC6 and 45M1. And atypical MGH was positive for MUC1, MUC6 and 45M1. Some IC adjacent to the atypical MGH was positive for Ki67 as well as atypical MGH. The carcinoma cells in all cases of PDC were diffusely positive for MUC1, 45M1, p53 and Ki67, and focally positive for MUC6. 2. In K-ras mutation, we examined the regions including IC adjacent to the atypical MGH, because the immunohistochemical apomucin stainings of these regions resembled those of PDC as decribed above. And K-ras mutation was confirmed in 12 of 16 regions (75%. All mutations were a single mutation, in 6 regions GTT was detected, in 4 regions GAT was detected and in 2 region AGT was detected. Conclusion Some intercalated duct cell may be the starting point of the pancreatic ductal carcinoma, because the exhibitions of

  19. Alloying in an Intercalation Host: Metal Titanium Niobates as Anodes for Rechargeable Alkali-Ion Batteries.

    Science.gov (United States)

    Das, Suman; Swain, Diptikanta; Araujo, Rafael B; Shi, Songxin; Ahuja, Rajeev; Row, Tayur N Guru; Bhattacharyya, Aninda J

    2018-02-02

    We discuss here a unique flexible non-carbonaceous layered host, namely, metal titanium niobates (M-Ti-niobate, M: Al 3+ , Pb 2+ , Sb 3+ , Ba 2+ , Mg 2+ ), which can synergistically store both lithium ions and sodium ions via a simultaneous intercalation and alloying mechanisms. M-Ti-niobate is formed by ion exchange of the K + ions, which are specifically located inside galleries between the layers formed by edge and corner sharing TiO 6 and NbO 6 octahedral units in the sol-gel synthesized potassium titanium niobate (KTiNbO 5 ). Drastic volume changes (approximately 300-400 %) typically associated with an alloying mechanism of storage are completely tackled chemically by the unique chemical composition and structure of the M-Ti-niobates. The free space between the adjustable Ti/Nb octahedral layers easily accommodates the volume changes. Due to the presence of an optimum amount of multivalent alloying metal ions (50-75 % of total K + ) in the M-Ti-niobate, an efficient alloying reaction takes place directly with ions and completely eliminates any form of mechanical degradation of the electroactive particles. The M-Ti-niobate can be cycled over a wide voltage range (as low as 0.01 V) and displays remarkably stable Li + and Na + ion cyclability (>2 Li + /Na + per formula unit) for widely varying current densities over few hundreds to thousands of successive cycles. The simultaneous intercalation and alloying storage mechanisms is also studied within the density functional theory (DFT) framework. DFT expectedly shows a very small variation in the volume of Al-titanium niobate following lithium alloying. Moreover, the theoretical investigations also conclusively support the occurrence of the alloying process of Li ions with the Al ions along with the intercalation process during discharge. The M-Ti-niobates studied here demonstrate a paradigm shift in chemical design of electrodes and will pave the way for the development of a multitude of improved electrodes

  20. Preparation and inhibition properties of molybdate intercalated ZnAlCe layered double hydroxide

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Huajie; Wang, Jihui, E-mail: jhwang@tju.edu.cn; Zhang, Yu; Hu, Wenbin

    2016-09-05

    ZnAlCe layered double hydroxide intercalated by molybdate (ZnAlCe−MoO{sub 4} LDH) was successfully synthesized by using co-precipitation method, and the morphology, structure of ZnAlCe−MoO{sub 4} LDH were observed and characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT-IR) techniques. The inhibition behavior of ZnAlCe−MoO{sub 4} LDH for Q235 steel in 3.5%NaCl solution was determined by polarization curves, electrochemical impedance spectroscopy (EIS), inductively coupled plasma mass spectrometer (ICP-MS) and X-ray photoelectron spectrometer (XPS) methods. The results shows that the synthesized ZnAlCe−MoO{sub 4} LDH has a lamellar structure with a particle size of 0.1–2.0 μm, an average thickness of 30 nm, and a basal plane spacing of 0.898 nm. Compared with the addition of ZnAl layered double hydroxide intercalated by nitrate (ZnAl−NO{sub 3} LDH) and ZnAl layered double hydroxide intercalated by molybdate (ZnAl−MoO{sub 4} LDH) in 3.5% NaCl solution, Q235 steel in 3.5%NaCl + ZnAlCe−MoO{sub 4} LDH solution has a lower corrosion current density, larger polarization resistance and a higher inhibition efficiency. The addition of ZnAlCe−MoO{sub 4} LDH will reduce the chloride concentration in 3.5% NaCl solution by the anion exchanged with molybdate, and improve the corrosion resistance of Q235 steel owing to the formation of passive film with the composition of ferrous or iron molybdate and deposition film with zinc and cerium hydroxides. - Highlights: • ZnAlCe−MoO{sub 4} LDH compound was successfully synthesized by co-precipitation method. • ZnAlCe−MoO{sub 4} LDH has a better inhibition effect to Q235 steel in 3.5%NaCl solution. • The Cl{sup −} ions in solution was partially exchanged with MoO{sub 4}{sup 2−} ions in host layers. • The passive film and deposition film were formed by the release of LDH compound.

  1. Base-Displaced Intercalated Structure of the N-(2'-Deoxyguanosin-8-yl)-3-aminobenzanthrone DNA Adduct.

    Science.gov (United States)

    Politica, Dustin A; Malik, Chanchal K; Basu, Ashis K; Stone, Michael P

    2015-12-21

    3-Nitrobenzanthrone (3-NBA), an environmental mutagen found in diesel exhaust and a suspected carcinogen, undergoes metabolic reduction followed by reaction with DNA to form aminobenzanthrone (ABA) adducts, with the major alkylation product being N-(2'-deoxyguanosin-8-yl)-3-aminobenzanthrone (C8-dG-ABA). Site-specific synthesis of the C8-dG-ABA adduct in the oligodeoxynucleotide 5'-d(GTGCXTGTTTGT)-3':5'-d(ACAAACACGCAC)-3'; X = C8-dG-ABA adduct, including codons 272-275 of the p53 gene, has allowed for investigation into the structural and thermodynamic properties of this adduct. The conformation of the C8-dG-ABA adduct was determined using NMR spectroscopy and was refined using molecular dynamics (MD) calculations restrained by experimentally determined interproton distance restraints obtained from NOE experiments. The refined structure revealed that the C8-dG-ABA adduct formed a base-displaced intercalated conformation. The adducted guanine was shifted into the syn conformation about the glycosidic bond. The 5'- and 3'-neighboring base pairs remained intact. While this facilitated π-stacking interactions between the ABA moiety and neighboring bases, the thermal melting temperature (Tm) of the adduct-containing duplex showed a decrease of 11 °C as compared to the corresponding unmodified oligodeoxynucleotide duplex. Overall, in this sequence, the base-displaced intercalated conformation of the C8-dG-ABA lesion bears similarity to structures of other arylamine C8-dG adducts. However, in this sequence, the base-displaced intercalated conformation for the C8-dG-ABA adduct differs from the conformation of the N(2)-dG-ABA adduct reported by de los Santos and co-workers, in which it is oriented in the minor groove toward the 5' end of the duplex, with the modified guanine remaining in the anti conformation about the glyosidic torsion angle, and the complementary base remaining within the duplex. The results are discussed in relationship to differences between the C8-d

  2. Agility: Agent - Ility Architecture

    National Research Council Canada - National Science Library

    Thompson, Craig

    2002-01-01

    ...., object and web technologies). The objective of the Agility project is to develop an open agent grid architecture populated with scalable, deployable, industrial strength agent grid components, targeting the theme 'agents for the masses...

  3. Mobile Agent Security

    National Research Council Canada - National Science Library

    Jansen, Wayne

    1998-01-01

    Mobile agent technology offers a new computing paradigm in which a program, in the form of a software agent, can suspend its execution on a host computer, transfer itself to another agent-enabled host...

  4. Interacting agents in finance

    NARCIS (Netherlands)

    Hommes, C.; Durlauf, S.N.; Blume, L.E.

    2008-01-01

    Interacting agents in finance represent a behavioural, agent-based approach in which financial markets are viewed as complex adaptive systems consisting of many boundedly rational agents interacting through simple heterogeneous investment strategies, constantly adapting their behaviour in response

  5. Thermoelectric transport properties of polycrystalline titanium diselenide co-intercalated with nickel and titanium using spark plasma sintering

    DEFF Research Database (Denmark)

    Holgate, Tim; Zhu, S.; Zhou, M.

    2013-01-01

    Polycrystalline samples of nickel intercalated (0–5%) TiSe2 were attempted via solid-state reaction in evacuated quartz tubes followed by densification using a spark plasma sintering process. X-ray diffraction data indicated that mixed NiSe2 and TiSe2 phases were present after initial synthesis b...

  6. Effective intercalation of sodium dodecylsulfate (SDS) into hydrocalumite: Mechanism discussion via near-infrared and mid-infrared investigations.

    Science.gov (United States)

    Zhang, Ping; Wang, Tianqi; Qian, Guangren; Wu, Daishe; Frost, Ray L

    2015-10-05

    The intercalation of an anionic surfactant, sodium dodecylsulfate (SDS), into hydrocalumite (CaAl-LDH-Cl) was investigated in this study. To understand the intercalation behavior, X-ray diffraction (XRD), mid-infrared spectroscopy (MIR), near-infrared spectroscopy (NIR) and scanning electron microscopy (SEM) were undertaken. The near-infrared spectra indicated a special spectral range from 6000 to 5600 cm(-1)and prominent bands of CaAl-LDH-Cl intercalated with SDS around 8388 cm(-1). This band was assigned to the second overtone of the first fundamental of CH stretching vibrations of SDS, and it could be used to determinate the result of CaAl-LDH-Cl modified by SDS. Moreover, the results revealed that different adsorption behaviors were observed at different (high and low) concentrations of SDS. When the SDS concentration was around 0.2 mol L(-1), anion exchange intercalation occurred and the interlayer distance expanded to about 3.25 nm. When SDS concentration was 0.005 mol L(-1), the surface adsorption of DS(-) was the major anion exchange event. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. Inhibition of non-templated nucleotide addition by DNA polymerases in primer extension using twisted intercalating nucleic acid modified templates

    Czech Academy of Sciences Publication Activity Database

    Güixens-Gallardo, Pedro; Hocek, Michal; Perlíková, Pavla

    2016-01-01

    Roč. 26, č. 2 (2016), s. 288-291 ISSN 0960-894X R&D Projects: GA ČR GBP206/12/G151 Institutional support: RVO:61388963 Keywords : DNA polymerases * nucleotide addition * primer extension * oligonucleotides * twisted intercalating nucleic acid Subject RIV: CC - Organic Chemistry Impact factor: 2.454, year: 2016

  8. Tribological performance of Mg/Al/Ce layered double hydroxides nanoparticles and intercalated products as lubricant additives

    Energy Technology Data Exchange (ETDEWEB)

    Li, Shuo; Qin, Haojing; Zuo, Ranfang; Bai, Zhimin, E-mail: zhimibai@cugb.edu.cn

    2015-10-30

    Highlights: • Mg/Al/Ce layered double hydroxides (LDHs) were synthesized by coprecipitation. • Mg/Al/Ce LDHs were intercalated with succinic acid and lauric acid respectively. • LDHs intercalated with lauric acid had the best friction properties among products. • Sliding of layers, good dispersity and a protective film decided the performance. - Abstract: Mg/Al/Ce ternary layered double hydroxides (LDHs) were synthesized via coprecipitation and intercalated by succinic acid and lauric acid through ion exchange method respectively. The LDHs products were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM) and Fourier transform infrared (FT-IR). Tribological properties of LDHs as lubricant additives were evaluated by four-ball friction and air compressor test. The results indicated that Mg/Al/Ce LDHs were prepared successfully with Ce/Al molar ratio of 0.05 and crystallization temperature of 140 °C. The interlayer spacing of LDHs precursor was expanded by succinic acid and lauric acid to 8.838 and 17.519 Å respectively. All the three LDHs products can reduce friction and wear of engine lubricating oil in the tests. LDHs intercalated with lauric acid showed best tribological performance among them which was attributed to sliding each other between laminates, good dispersibility in oil medium and a protective tribofilm formed on the worn surface.

  9. Possible Mg intercalation mechanism at the Mo6 S8 cathode surface proposed by first-principles methods

    Science.gov (United States)

    Wan, Liwen; Prendergast, David

    2015-03-01

    In recent years, great attention has been paid to the development of divalent Mg-ion batteries, which can potentially double the energy density and volumetric capacity compared to monovalent Li-ion batteries. The prototype Mg-ion battery, comprising Mg(anode)/Mg(AlCl2BuEt)2.THF(electrolyte)/Mo6S8(cathode), was established in 2000 by Aurbach et al. Despite the remarkable success of this prototype system, we still lack a clear understanding of the fundamental Mg intercalation/deposition mechanism at the electrolyte/electrode interfaces that perhaps results in the observed sluggish Mg transport process. Our previous work has shown that Mg-ions are strongly coordinated in the bulk electrolyte by a combination of counterion, Cl-, and organic aprotic solvent, THF. In this work, we use first-principles methods to study Mg intercalation behavior at the Mo6S8 cathode surface with the presence of solvent molecules. It is found that the image charge, formed on this metallic cathode surface, can effectively weaken the solvent-surface interactions and facilitate Mg intercalation. A detailed Mg intercalation mechanism is proposed and the unique role of Mo6S8 as the cathode material is emphasized. This work is supported as part of the Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences.

  10. Reversible intercalation of ammonia molecules into a layered double hydroxide structure without exchanging nitrate counter-ions

    International Nuclear Information System (INIS)

    Carbajal Arizaga, Gregorio Guadalupe; Wypych, Fernando; Castillon Barraza, Felipe; Contreras Lopez, Oscar Edel

    2010-01-01

    A zinc/aluminum LDH was precipitated with recycled ammonia from a chemical vapor deposition reaction. The LDH presented a crystalline phase with basal distance of 8.9 A, typical for nitrate-containing LDHs, and another phase with a basal distance of 13.9 A. Thermal treatment at 150 o C eliminated the phase with the bigger basal distance leaving only the anhydrous nitrate-intercalated LDH structure with 8.9 A. Intense N-H stretching modes in the FTIR spectra suggested that the expansion was due to intercalation of ammonia in the form of [NH 4 (NH 3 ) n ] + species. When additional samples were precipitated with pure ammonia, the conventional LDH nitrate structure was obtained (8.9 A basal distance) at pH=7, as well as a pure crystalline phase with 13.9 A basal distance at pH=10 due to ammonia intercalation that can be removed by heating at 150 o C or by stirring in acetone, confirming a unusual sensu stricto intercalation process into a LDH without exchanging nitrate ions. - Graphical abstract: LDH-nitrate precipitated with ammonia expands the interlayer space if ammonia is bubbled up to pH 10. The basal distance decreased when the compound was heated at 150 o C or stirred in acetone. Nitrate ions are not exchanged.

  11. Drug intercalation in layered double hydroxide clay: Application in the development of a nanocomposite film for guided tissue regeneration

    DEFF Research Database (Denmark)

    Chakraborti, M.; Jackson, J.K.; Plackett, David

    2011-01-01

    of release by intercalation of alendronate anions in magnesium/aluminum layered double hydroxide (LDH) clay nanoparticles and dispersed in the PLGA film matrix. Tetracycline, loaded as free drug into the film together with alendronate–LDH clay complex released more rapidly than alendronate, but showed...

  12. Surfactant-assisted intercalation of high molecular weight poly(ethylene oxide) into vanadyl phosphate di-hydrate

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Joao Paulo L., E-mail: billbrujah@yahoo.com.br [Departamento de Quimica, FFCLRP, Universidade de Sao Paulo, Av. Bandeirantes 3900, Ribeirao Preto, SP 14040-901 (Brazil); Oliveira, Herenilton P. [Departamento de Quimica, FFCLRP, Universidade de Sao Paulo, Av. Bandeirantes 3900, Ribeirao Preto, SP 14040-901 (Brazil)

    2012-03-15

    Graphical abstract: CuK{sub {alpha}} X-ray diffraction patterns of the VOPO{sub 4}/PEO (A) e VOPO{sub 4}/CTA (B) and VOPO{sub 4}/CTA/PEO (C). Highlights: Black-Right-Pointing-Pointer VOPO{sub 4}/PEO has been synthesized by using CTAB, thereby improving PEO intercalation. Black-Right-Pointing-Pointer The d-spacing increase from 1.30 nm (VOPO{sub 4}/PEO) to 2.94 nm (VOPO{sub 4}/CTA/PEO). Black-Right-Pointing-Pointer This strategy was viable for intercalation of PEO with high molecular weight. -- Abstract: A high molecular weight poly(ethylene oxide)/layered vanadyl phosphate di-hydrate intercalation compound was synthesized via the surfactant-assisted approach. Results confirmed that surfactant molecules were replaced with the polymer, while the lamellar structure of the matrix was retained, and that the material presents high specific surface area. In addition, intercalation produced a more thermally stable polymer as evidenced by thermal analysis.

  13. Intercalation of Mg-ions in layered V2O5 cathode materials for rechargeable Mg-ion batteries

    DEFF Research Database (Denmark)

    Sørensen, Daniel Risskov; Johannesen, Pætur; Christensen, Christian Kolle

    The development of functioning rechargeable Mg-ion batteries is still in its early stage, and a coarse screening of suitable cathode materials is still on-going. Within the intercalation-type cathodes, layered crystalline materials are of high interest as they are known to perform well in Li-ion...

  14. Effect of intercalation and chromophore arrangement on the linear and nonlinear optical properties of model aminopyridine push–pull molecules

    Czech Academy of Sciences Publication Activity Database

    Bureš, F.; Cvejn, D.; Melánová, Klára; Beneš, L.; Svoboda, Jan; Zima, Vítězslav; Pytela, O.; Mikysek, T.; Růžičková, Z.; Kityk, I. V.; Wojciechowski, A.; AlZayed, N.

    2016-01-01

    Roč. 4, č. 3 (2016), s. 468-478 ISSN 2050-7526 R&D Projects: GA ČR(CZ) GA13-01061S Institutional support: RVO:61389013 Keywords : push-pull chromophore * intercalation * layered phosphates Subject RIV: CA - Inorganic Chemistry Impact factor: 5.256, year: 2016

  15. Veterans and agent orange: update 2000

    National Research Council Canada - National Science Library

    Division of Health Promotion and Disease Prevention Staff; Institute of Medicine, Committee to Review the Health Effects in Vietnam Veterans of Exposure to Herbicides

    2001-01-01

    Veterans and Agent Orange: Update 2000 examines the state of the scientific evidence regarding associations between diseases and exposure to dioxin and other chemical compounds in herbicides used in Vietnam...

  16. Pickering emulsions prepared by layered niobate K₄Nb₆O₁₇ intercalated with organic cations and photocatalytic dye decomposition in the emulsions.

    Science.gov (United States)

    Nakato, Teruyuki; Ueda, Hiroaki; Hashimoto, Sachika; Terao, Ryosuke; Kameyama, Miyuki; Mouri, Emiko

    2012-08-01

    We investigated emulsions stabilized with particles of layered hexaniobate, known as a semiconductor photocatalyst, and photocatalytic degradation of dyes in the emulsions. Hydrophobicity of the niobate particles was adjusted with the intercalation of alkylammonium ions into the interlayer spaces to enable emulsification in a toluene-water system. After the modification of interlayer space with hexylammonium ions, the niobate stabilized water-in-oil (w/o) emulsions in a broad composition range. Optical microscopy showed that the niobate particles covered the surfaces of emulsion droplets and played a role of emulsifying agents. The niobate particles also enabled the generation of oil-in-water (o/w) emulsions in a limited composition range. Modification with dodecylammonium ions, which turned the niobate particles more hydrophobic, only gave w/o emulsions, and the particles were located not only at the toluene-water interface but also inside the toluene continuous phase. On the other hand, interlayer modification with butylammonium ions led to the formation of o/w emulsions. When porphyrin dyes were added to the system, the cationic dye was adsorbed on niobate particles at the emulsion droplets whereas the lipophilic dye was dissolved in toluene. Upon UV irradiation, both of the dyes were degraded photocatalytically. When the cationic and lipophilic porphyrin molecules were simultaneously added to the emulsions, both of the dyes were photodecomposed nonselectively.

  17. Materialographic preparation of lithium-carbon intercalation compounds; Materialographische Praeparation von Lithium-Kohlenstoff-Einlagerungsverbindungen

    Energy Technology Data Exchange (ETDEWEB)

    Druee, Martin; Seyring, Martin; Grasemann, Aaron [Jena Univ. (Germany). Otto Schott Institute of Materials Research; Rettenmayr, Markus [Center for Energy and Environmental Chemistry, Jena (Germany)

    2016-12-15

    The materialographic investigation of anode materials for rechargeable lithium ion batteries is a significant step in the understanding and development of electrode materials, but made dramatically more difficult due to the high reactivity of the materials involved. In this work a method is presented which permits the metallographic preparation of the lithium-carbon intercalation compounds used as anode materials in today's rechargeable lithium ion batteries, and which allows the details of their microstructures to be contrasted. After classic, but absolutely water free, preparation in a protective gas atmosphere, the final stage of preparation is carried out using both ion beam polishing and manual polishing on a stationary polishing disc, whereby no significant differences of the quality of the microstructural images obtained is apparent.

  18. Weak interaction between germanene and GaAs(0001) by H intercalation: A route to exfoliation

    KAUST Repository

    Kaloni, Thaneshwor P.

    2013-11-13

    Epitaxial germanene on a semiconducting GaAs(0001) substrate is studied by ab initio calculations. The germanene-substrate interaction is found to be strong for direct contact but can be substantially reduced by H intercalation at the interface. Our results indicate that it is energetically possible to take the germanene off the GaAs(0001) substrate. While mounted on the substrate, the electronic structure shows a distinct Dirac cone shift above the Fermi energy with a splitting of 175 meV. On the other hand, we find for a free standing sheet a band gap of 24 meV, which is due to the intrinsic spin orbit coupling.

  19. Electrochemical intercalation of lithium into polypyrrole/silver vanadium oxide composite used for lithium primary batteries

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jong-Won; Popov, Branko N. [Center for Electrochemical Engineering, Department of Chemical Engineering, University of South Carolina, Columbia, SC 29208 (United States)

    2006-10-20

    Hybrid composites of polypyrrole (PPy) and silver vanadium oxide (SVO) used for lithium primary batteries were chemically synthesized by an oxidative polymerization of pyrrole monomer on the SVO surface in an acidic medium. The composite electrode exhibited higher discharge capacity and better rate capability as compared with the pristine SVO electrode. The improvement in electrochemical performance of the composite electrode was due to PPy which accommodates lithium ions and also enhances the SVO utilization. Chronoamperometric and ac-impedance measurements indicated that lithium intercalation proceeds under the mixed control by interfacial charge transfer and diffusion. The enhanced SVO utilization in the composite electrode results from a facilitated kinetics of interfacial charge transfer in the presence of PPy. (author)

  20. Electrochemical intercalation of lithium into polypyrrole/silver vanadium oxide composite used for lithium primary batteries

    Science.gov (United States)

    Lee, Jong-Won; Popov, Branko N.

    Hybrid composites of polypyrrole (PPy) and silver vanadium oxide (SVO) used for lithium primary batteries were chemically synthesized by an oxidative polymerization of pyrrole monomer on the SVO surface in an acidic medium. The composite electrode exhibited higher discharge capacity and better rate capability as compared with the pristine SVO electrode. The improvement in electrochemical performance of the composite electrode was due to PPy which accommodates lithium ions and also enhances the SVO utilization. Chronoamperometric and ac-impedance measurements indicated that lithium intercalation proceeds under the mixed control by interfacial charge transfer and diffusion. The enhanced SVO utilization in the composite electrode results from a facilitated kinetics of interfacial charge transfer in the presence of PPy.

  1. Cl-intercalated graphene on SiC: Influence of van der Waals forces

    KAUST Repository

    Cheng, Yingchun

    2013-01-01

    The atomic and electronic structures of Cl-intercalated epitaxial graphene on SiC are studied by first-principles calculations. By increasing the Cl concentration, doping levels from n-type to slightly p-type are achieved on the SiC(0001) surface, while a wider range of doping levels is possible on the SiC(0001̄) surface. We find that the Cl atoms prefer bonding to the substrate rather than to the graphene. By varying the Cl concentration the doping level can be tailored. Consideration of van der Waals forces improves the distance between the graphene and the substrate as well as the binding energy, but it is not essential for the formation energy. For understanding the doping mechanism the introduction of non-local van der Waals contributions to the exchange correlation functional is shown to be essential. Copyright © EPLA, 2013.

  2. Growth and intercalation of graphene on silicon carbide studied by low-energy electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Speck, Florian; Ostler, Markus; Wanke, Martina; Seyller, Thomas [Universitaet Erlangen-Nuernberg, Lehrstuhl fuer Technische Physik, Erlangen (Germany); Technische Universitaet Chemnitz, Institut fuer Physik (Germany); Besendoerfer, Sven [Universitaet Erlangen-Nuernberg, Lehrstuhl fuer Technische Physik, Erlangen (Germany); Krone, Julia [Technische Universitaet Chemnitz, Institut fuer Physik (Germany)

    2017-11-15

    Based on its electronic, structural, chemical, and mechanical properties, many potential applications have been proposed for graphene. In order to realize these visions, graphene has to be synthesized, grown, or exfoliated with properties that are determined by the targeted application. Growth of so-called epitaxial graphene on silicon carbide by sublimation of silicon in an argon atmosphere is one particular method that could potentially lead to electronic applications. In this contribution we summarize our recent work on different aspects of epitaxial graphene growth and interface manipulation by intercalation, which was performed by a combination of low-energy electron microscopy, low-energy electron diffraction, atomic force microscopy and photoelectron spectroscopy. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Hydrogen Adsorption in Flame Synthesized and Lithium Intercalated Carbon Nanofibers--A Comparative Study.

    Science.gov (United States)

    Dhand, Vivek; Prasad, J Sarada; Rao, Venkateswer M; Kalluri, Sujith; Jain, Pawan Kumar; Sreedhar, B

    2015-01-01

    Carbon nanofibers (CNF) have been synthesized under partial combustion conditions in a flame reactor using different mixtures of hydrocarbon gases in the presence and absence of precursors. The hydrogen (H2) adsorption studies have been carried out using a high pressure Sievert's apparatus maintained at a constant temperature (24 degrees C). The flame synthesized CNFs showed high degree of H2 adsorption capacities at 100 atm pressure. The highest H2 capacities recorded have been 4.1 wt% [for CNF produced by liquefied petroleum gas (LPG)-Air (E-17)], 3.7 wt% [for nano carbons produced by Methane-Acetylene-Air (EMAC-4)] and 5.04 wt% for [Lithium intercalated sample (Li-EMAC-4)] respectively.

  4. Ammonia absorption in calcium graphite intercalation compound: in situ neutron diffraction, Raman spectroscopy and magnetization.

    Science.gov (United States)

    Srinivas, G; Lovell, A; Skipper, N T; Bennington, S M; Kurban, Z; Smith, R I

    2010-06-21

    The structure and superconducting properties of ammoniated calcium-graphite intercalation compound (Ca-GIC) have been investigated using in situ time-of-flight neutron diffraction, Raman spectroscopy and magnetization studies. Ammonia absorption has been carried out by exposing preformed Ca-GIC to ammonia vapour at various pressures. Our in situ neutron diffraction data reveal a complex ammonia pressure dependent structural transformation, in which the growth of secondary ammoniated Ca-GIC phases are observed at the expense of the pristine CaC(6) and graphite. The ammonia absorption is irreversible in nature, and degassing the sample at elevated temperature leads to the formation of calcium amide and hydrogen. The Raman spectroscopy and magnetization studies show that the ammonia absorption not only leads to a large stacking disorder, but it also reduces the superconducting CaC(6) phase fraction. Finally, we propose a molecular stacking model which accounts for the observed ammonia absorption and concomitant structural phase transitions.

  5. Graphene quantum dots produced by exfoliation of intercalated graphite nanoparticles and their application for temperature sensors

    Science.gov (United States)

    Nguyen, Duy Khiem; Kim, TaeYoung

    2018-01-01

    Graphene quantum dots (GQDs) have received much attention as a new class of fluorescent materials due to their unique transport phenomena and broadband absorption. Here, we present a method to produce pristine blue-luminescent GQDs from graphite nanoparticles by the intercalation of graphite nanoparticles and subsequent exfoliation in liquids. The as-synthesized GQDs are composed of highly crystalline carbon rings and show uniform size distribution ranging from 3 to 4 nm with an average thickness of ∼1 nm. The GQDs exhibit an excitation-dependent blue photoluminescence with a quantum yield of 22.3%. Furthermore, the GQDs were explored as an active sensing material for temperature measurement. The GQD-based temperature sensors show high responsivity to temperature changes over the range 30-80 °C.

  6. Intercalation reactions of f-element/organophosphorous co-contaminants with smectitic clays

    International Nuclear Information System (INIS)

    Eller, P.G.; Morris, D.E.; Bish, D.L.; Conradson, S.D.; Ryan, R.R.

    1990-01-01

    Neutral donor organophosphorous extractants form the basis for many of the most important nuclear materials separations processes throughout the world. We are investigating the interaction of such extractants, typified by TBP and CMP, in combination with f-elements with important subsurface materials including smectitic and kaolinitic clays. Our objective is a better understanding of the dominant factors which determine transport/transformation in this important model co-contaminant system. In this paper we describe preliminary work with the reference smectite SAz1 which suggests that (1) rapid and massive uptake of neutral donor phosphorous extractants is a general reaction, (2) the mechanism for uptake is by intercalation with direct coordination of interlayer cations, and (3) the strength of the specific extractant binding is relatively weak despite the extensive uptake

  7. Effects of antistatic agent on the mechanical, morphological and antistatic properties of polypropylene/organo-montmorillonite nanocomposites

    Directory of Open Access Journals (Sweden)

    2009-02-01

    Full Text Available Polypropylene (PP and PP/organo-montmorillonite (OMMT compounds containing antistatic agent (3, 6 and 9 wt% were prepared using co-rotating twin screw extruder followed by injection molding. PP/OMMT composites were prepared by mixing of PP, OMMT and maleated PP (PPgMAH. The mechanical properties of PP blends and PP/OMMT nanocomposites were studied by tensile and impact tests. The effect of antistatic agent (AA on the surface resistivity of PP and PP/OMMT nanocomposites were studied. The morphological properties of PP blends and PP/OMMT nanocomposites were characterized by using field emission scanning electron microscopy (FESEM. The intercalation of OMMT silicates layer in PP nanocomposites was characterized using X-ray diffraction (XRD. The impact strength of PP blends and PP/OMMT nanocomposites did not vary significantly by the addition of antistatic agent. The tensile modulus and tensile strength of PP/OMMT nanocomposites were slightly decreased with the increasing loading of antistatic agents. From FESEM analysis, the dispersion of antistatic agent in the PP matrix can be revealed. In addition, the surface resistivity of PP/OMMT compound was affected by the loading of antistatic agent. XRD results indicated the formation of intercalated nanocomposites for PP/OMMT/AA.

  8. A label-free photoelectrochemical cocaine aptasensor based on an electropolymerized ruthenium-intercalator complex

    International Nuclear Information System (INIS)

    Haddache, Fatima; Le Goff, Alan; Spinelli, Nicolas; Gairola, Priyanka; Gorgy, Karine; Gondran, Chantal; Defrancq, Eric; Cosnier, Serge

    2016-01-01

    Highlights: • Electrodes were modified by an electrogenerated Ru(II) complex which demonstrates photosensitive properties and intercalating properties towards the stem-loop base pairing domain of cocaine aptamers. • Cocaine aptamers were immobilized as mono-and double-fragment which showed different behaviour towards photocurrent generation. • The binding of aptamer could be followed by photelectrochemistry and modelized using a Langmuir-Freundlich isotherm. • Using the double-fragment aptamer, a label-free photoelectrochemical aptasensor was designed, exhibiting a LOD of 10 nmol L −1 and linear range of 1 10 −8 –5 10 −4 mol L −1 . - Abstract: A photoelectrode was designed by electrodeposition of a pyrrole monomer modified with a polypyridyl Ru(II) complex bearing benzo[i]dipyrido-[3,2-a:2′.3′-c]phenazine (dppn) ligand. Owing to the intercalating properties of these immobilized complexes towards DNA double helix, cocaine aptamer was immobilized on the modified electrodes thanks to its stem-loop configuration in order to design a photoelectrochemical cocaine aptasensor. Especially using a double-fragment aptamer strategy, the binding of cocaine and the formation of the aptamer/cocaine complex was successfully observed and modeled by a Langmuir-Freundlich isotherm, giving access to an apparent dissociation constant K d of 3.8 mmol L −1 . The photoelectrochemical aptasensor exhibits a LOD of 10 nmol L −1 and linear range of 1 10 −8 –5 10 −4 mol L −1 .

  9. Production of High-quality Few-layer Graphene Flakes by Intercalation and Exfoliation

    KAUST Repository

    Alzahrani, Areej A.

    2017-11-30

    Graphene, a two-dimensional nanomaterial, has been given much attention since it was first isolated in 2004. Driving this intensive research effort are the unique properties of this one atom thick sheet of carbon, in particular its electrical, thermal and mechanical properties. While the technological applications proposed for graphene abound, its low-cost production in large scales is still a matter of interrogation. Simple methods to obtain few-layered graphene flakes of high structural quality are being investigated with the exfoliation of graphite taking a prominent place in this arena. From the many suggested approaches, the most promising involve the use of liquid media assisted by intercalants and shear forces acting on the basal layers of graphite. In this thesis, it is discussed how a novel method was developed to produce flakes with consistent lateral dimensions that are also few-layered and retain the expected structural and chemical characteristics of graphene. Here, the source material was a commercially available graphiteintercalated compound, also known as expandable graphite. Several exfoliation-inducing tools were investigated including the use of blenders, homogenizers, and ultrasonic processors. To aid in this process, various solvents and intercalants were explored under different reactive conditions. The more efficient approach in yielding defect-free thin flakes was the use of thermally expanded graphite in boiling dimethylformamide followed by ultrasonic processing and centrifugation. In parallel, a method to fraction the flakes as a function of their lateral size was developed. Ultimately, it was possible to obtain samples of graphene flakes with a lateral dimension of a few micrometers (<5 μm) and thickness of 1-3 nm (i.e. <10 layers).

  10. Solution structure of a 2:1 complex of anticancer drug XR5944 with TFF1 estrogen response element: insights into DNA recognition by a bis-intercalator.

    Science.gov (United States)

    Lin, Clement; Mathad, Raveendra I; Zhang, Zhenjiang; Sidell, Neil; Yang, Danzhou

    2014-05-01

    XR5944, a deoxyribonucleic acid (DNA) bis-intercalator with potent anticancer activity, can bind the estrogen response element (ERE) sequence to inhibit estrogen receptor-α activities. This novel mechanism of action may be useful for overcoming drug resistance to currently available antiestrogen treatments, all of which target the hormone-receptor complex. Here we report the nuclear magnetic resonance solution structure of the 2:1 complex of XR5944 with the naturally occurring TFF1-ERE, which exhibits important and unexpected features. In both drug-DNA complexes, XR5944 binds strongly at one intercalation site but weakly at the second site. The sites of intercalation within a native promoter sequence appear to be context and sequence dependent. The binding of one drug molecule influences the binding site of the second. Our structures underscore the fact that the DNA binding of a bis-intercalator is directional and different from the simple addition of two single intercalation sites. Our study suggests that improved XR5944 bis-intercalators targeting ERE may be designed through optimization of aminoalkyl linker and intercalation moieties at the weak binding sites. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

  11. Mushrooms as therapeutic agents

    Directory of Open Access Journals (Sweden)

    Sushila Rathee

    2012-04-01

    Full Text Available Mushrooms have been known for their nutritional and culinary values and used as medicines and tonics by humans for ages. In modern terms, they can be considered as functional foods which can provide health benefits beyond the traditional nutrients. There are monographs that cover the medicinal and healing properties of some individual traditional mushrooms. There has been a recent upsurge of interest in mushrooms not only as a health food which is rich in protein but also as a source of biologically active compounds of medicinal value which include complementary medicine/dietary supplements for anticancer, antiviral, hepatoprotective, immunopotentiating and hypocholesterolemic agents. However the mechanisms of the various health benefits of mushrooms to humans still require intensive investigation, especially given the emergence of new evidence of their health benefits. In the present paper the medicinal potential of mushrooms is being discussed.

  12. Investigation of PF6(-) and TFSI(-) anion intercalation into graphitized carbon blacks and its influence on high voltage lithium ion batteries.

    Science.gov (United States)

    Qi, Xin; Blizanac, Berislav; DuPasquier, Aurelien; Meister, Paul; Placke, Tobias; Oljaca, Miodrag; Li, Jie; Winter, Martin

    2014-12-14

    Graphitized carbon blacks have shown a more promising electrochemical performance than the non-treated ones when being applied in small amounts as conductive additives in composite cathode electrodes for lithium ion batteries, due to the absence of surface functional groups which contribute to detrimental side-reactions with the electrolyte. Here, we report that at high potentials of >4.5 V vs. Li/Li(+), graphitic structures in carbon black can provide host sites for the partially reversible intercalation of electrolyte salt anions. This process is in analogy to the charge reaction of graphite positive electrodes in dual-ion cells. A standard furnace carbon black with small graphitic structural units, as well as slightly and highly graphitized carbon blacks, were characterized and analyzed with regard to anion intercalation. A LiPF6 containing organic solvent based electrolyte as well as a state-of-the-art ionic liquid based electrolyte composed of LiTFSI in PYR14TFSI were applied. The intercalation of both PF6(-) and TFSI(-) could be confirmed by cyclic voltammetry in electrodes made of carbon blacks. When exposed to high potentials, carbon blacks experienced strong activation in the 1st cycle, which promotes the perception for anion intercalation, and thus increases the anion intercalation capacity in the following cycles. The specific capacity from anion intercalation was evaluated by constant current charge-discharge cycling. The obtained capacity was proportional to the graphitization degree. As anion intercalation might be accompanied by decomposition reactions of the electrolyte, e.g., by co-intercalation of solvent molecules, it could induce the decomposition of the electrolyte inside the carbon and thus degradation of the carbon black graphitic structure. In order to avoid side reactions from surface groups and from anion intercalation, the thermal treatment of carbon blacks must be optimized.

  13. Tuning metal–graphene interaction by non-metal intercalation: a case study of the graphene/oxygen/Ni (1 1 1) system

    International Nuclear Information System (INIS)

    Zhang, Wei-Bing; Chen, Chuan

    2015-01-01

    Epitaxial growth of graphene on transition metal surfaces has been proposed as one of the most promising methods for large-scale preparation of high-quality graphene. However, the presence of the substrate could significantly affect the intrinsic electronic structure of graphene and intercalation of metals is an established route for decoupling the graphene from the substrate. Taking a graphene/Ni(1 1 1) surface as an example, we suggest reactive oxygen as an effective intercalation element to recover the linear dispersion of graphene based on density functional theory calculation, in which vdW interactions are treated using the optB88-vdW functional. The possible intercalation configurations at different coverage are considered and the geometry and electronic structure are analyzed in detail. Our results indicate that the energy favorable structures change from top-fcc to bridge-top configuration after oxygen intercalation and the binding between the graphene and the O/Ni(1 1 1) substrate becomes stronger at high oxygen coverage even than pure Ni(1 1 1) substrate. Most interestingly, the electronic structure of pristine graphene is found to be almost restored, especially for the bridge-top configuration after oxygen intercalation, and the Dirac points move towards the high energy region relative to the Fermi level. A graphene/oxygen/Ni (1 1 1) system is thus suggested as a p-type doped strongly bound Dirac system. Detailed analysis using projected energy band and differential charge density indicates that the intercalated oxygen atoms react with the Ni (1 1 1) surface strongly, which not only blocks the strong interaction between Ni and graphene but also passivates oxygen 2p states. The intercalation mechanisms distinguished from the conventional metal intercalation will be useful to understand other complex intercalation systems. (paper)

  14. Silicone fluids intercalation into montmorillonite clay. SAXS/WAXD morphological evaluation; Intercalacao de fluidos de silicona em argila montmorillonita. Avaliacao morfologica por SAXS/WAXD

    Energy Technology Data Exchange (ETDEWEB)

    Kaneko, Manuela L.Q.A.; Yoshida, Inez Valeria P. [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica]. E-mail: manuela_andrade@yahoo.com; valeria@iqm.unicamp.br; Torriani, Iris [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Fisica Gleb Wataglin; Laboratorio Nacional de Luz Sincrotron (LNLS), Campinas, SP (Brazil)

    2005-07-01

    The morphological aspects related to the intercalation of three different silicone fluids into montmorillonite clay (MMT) were investigated by small and wide angle X-ray scattering (SAXS/WAXD). The MMT dispersions prepared with the different silicone fluids showed an intercalated morphology. The extent of intercalation into the gallery, swelling and orientation of the platelets varied according to the nature of the silicone fluid. Particle thickness of 78 and 63 Angstrom for some of the silicone/MMT dispersions was calculated from the X-ray scattering profiles. (author)

  15. Etchant-free graphene transfer using facile intercalation of alkanethiol self-assembled molecules at graphene/metal interfaces

    Science.gov (United States)

    Ohtomo, Manabu; Sekine, Yoshiaki; Wang, Shengnan; Hibino, Hiroki; Yamamoto, Hideki

    2016-06-01

    We report a novel etchant-free transfer method of graphene using the intercalation of alkanethiol self-assembled monolayers (SAMs) at the graphene/Cu interfaces. The early stage of intercalation proceeds through graphene grain boundaries or defects within a few seconds at room temperature until stable SAMs are formed after a few hours. The formation of SAMs releases the compressive strain of graphene induced by Cu substrates and make graphene slightly n-doped due to the formation of interface dipoles of the SAMs on metal surfaces. After SAM formation, the graphene is easily delaminated off from the metal substrates and transferred onto insulating substrates. The etchant-free process enables us to decrease the density of charged impurities and the magnitude of potential fluctuation in the transferred graphene, which suppress scattering of carriers. We also demonstrate the removal of alkanethiol SAMs and reuse the substrate. This method will dramatically reduce the cost of graphene transfer, which will benefit industrial applications such as of graphene transparent electrodes.We report a novel etchant-free transfer method of graphene using the intercalation of alkanethiol self-assembled monolayers (SAMs) at the graphene/Cu interfaces. The early stage of intercalation proceeds through graphene grain boundaries or defects within a few seconds at room temperature until stable SAMs are formed after a few hours. The formation of SAMs releases the compressive strain of graphene induced by Cu substrates and make graphene slightly n-doped due to the formation of interface dipoles of the SAMs on metal surfaces. After SAM formation, the graphene is easily delaminated off from the metal substrates and transferred onto insulating substrates. The etchant-free process enables us to decrease the density of charged impurities and the magnitude of potential fluctuation in the transferred graphene, which suppress scattering of carriers. We also demonstrate the removal of alkanethiol

  16. In situ oligomerization of 2-(thiophen-3-yl)acetate intercalated into Zn{sub 2}Al layered double hydroxide

    Energy Technology Data Exchange (ETDEWEB)

    Tronto, Jairo, E-mail: jairotronto@ufv.br [Universidade Federal de Viçosa, Instituto de Ciências Exatas e Tecnológicas, Campus de Rio Parsanaíba, Rodovia BR 354 km 310, Cx. Postal 22, CEP, 38.810-000 Rio Paranaíba, MG (Brazil); Pinto, Frederico G.; Costa, Liovando M. da [Universidade Federal de Viçosa, Instituto de Ciências Exatas e Tecnológicas, Campus de Rio Parsanaíba, Rodovia BR 354 km 310, Cx. Postal 22, CEP, 38.810-000 Rio Paranaíba, MG (Brazil); Leroux, Fabrice; Dubois, Marc [Clermont Université, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, BP 10448, F-63000 Clermont-Ferrand (France); CNRS, UMR 6296, ICCF, BP 80026, F-6317 Clermont-Ferrand (France); Valim, João B. [Universidade de São Paulo, Faculdade de Filosofia Ciências e Letras de Ribeirão Preto, Departamento de Química, Av. dos Bandeirantes 3900, CEP 14.040-901, Ribeirão Preto, SP (Brazil)

    2015-01-15

    A layered double hydroxide (LDH) with cation composition Zn{sub 2}Al was intercalated with 2-(thiophen-3-yl)acetate (3-TA) monomers. To achieve in situ polymerization and/or oligomerization of the intercalated monomers, soft thermal treatments were carried out, and subsequent hybrid LDH materials were analyzed by means of several characterization techniques using powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), {sup 13}C CP–MAS nuclear magnetic resonance (NMR), electron spin resonance (EPR), scanning electron microscopy (SEM), and transmission electron microscopy (TEM), inductively coupled plasma optical emission spectroscopy (ICP–OES), and elemental analysis. PXRD analysis suggested that the intercalated monomers formed a bilayer. Thermal treatment of the hybrid LDH assembly above 120 °C provokes partially the breakdown of the layered structure, generating the phase zincite. EPR results indicated that vicinal monomers (oligomerization) were bound to each other after hydrothermal or thermal treatment, leading to a polaron response characteristic of electron conductivity localized on a restricted number of thiophene-based monomer segments. Localized unpaired electrons exist in the material and interact with the {sup 27}Al nuclei of the LDH layers by superhyperfine coupling. These unpaired electrons also interact with the surface of ZnO (O{sup 2−} vacancies), formed during the thermal treatments. - Graphical abstract: We synthesized a layered double hydroxide (LDH) with cation composition Zn{sub 2}Al, intercalated with 2-(thiophen-3-yl)acetate (3-TA) monomers, by coprecipitation at constant pH. We thermally treated the material, to achieve in situ polymerization and/or oligomerization of the intercalated monomers. - Highlights: • A Zn{sub 2}Al–LDH was intercalated with 2-(thiophen-3-yl)acetate monomers. • To achieve in situ oligomerization of the monomers, thermal treatments were made.

  17. Lipoprotein nanoplatform for targeted delivery of diagnostic and therapeutic agents.

    Science.gov (United States)

    Glickson, Jerry D; Lund-Katz, Sissel; Zhou, Rong; Choi, Hoon; Chen, I-Wei; Li, Hui; Corbin, Ian; Popov, Anatoliy V; Cao, Weiguo; Song, Liping; Qi, Chenze; Marotta, Diane; Nelson, David S; Chen, Juan; Chance, Britton; Zheng, Gang

    2009-01-01

    Low-density lipoprotein (LDL) provides a highly versatile natural nanoplatform for delivery of optical and MRI contrast agents, photodynamic therapy agents and chemotherapeutic agents to normal and neoplastic cells that over express LDL receptors (LDLR). Extension to other lipoproteins ranging in diameter from approximately 5-10 nm (high density lipoprotein, HDL) to over a micron (chilomicrons) is feasible. Loading of contrast or therapeutic agents has been achieved by covalent attachment to protein side chains, intercalation into the phospholipid monolayer and extraction and reconstitution of the triglyceride/cholesterol ester core. Covalent attachment of folate to the lysine side chain amino groups was used to reroute the LDL from its natural receptor (LDLR) to folate receptors and could be utilized to target other receptors. A semi-synthetic nanoparticle has been constructed by coating magnetite iron oxide nanoparticles (MIONs) with carboxylated cholesterol and overlaying a monolayer ofphospholipid to which Apo A1, Apo E or synthetic amphoteric alpha-helical polypeptides were adsorbed for targeting HDL, LDL or folate receptors, respectively. These particles can be utilized for in situ loading of magnetite into cells for MRI monitored cell tracking or gene therapy.

  18. Intercalated hybrid of kaolinite with KH2PO4 showing high ionic conductivity (∼10-4 S cm-1) at room temperature

    Science.gov (United States)

    Liu, Shao-Xian; Xue, Chen; Yang, Hao; Huang, Xiao-Qing; Zou, Yang; Ding, Yan-Ni; Li, Li; Ren, Xiao-Ming

    2017-12-01

    In this paper, we present the study of preparation and ionic conductance for an intercalated hybrid of kaolinite with potassium dihydrogen. The intercalation efficiency is high up to ca. 90%. The intercalated hybrid has been characterized by powder X-ray diffraction, infrared spectroscopy, and thermogravimetric analysis. The ionic conductivity (σ) of the hybrid material is strongly dependent on the moisture in the environment, with σ = 8.4 × 10-10 S cm-1 at 293 K and gradually increases to 7.16 × 10-9 S cm-1 under N2 atmosphere (anhydrous environment) at 353 K as well as an activation energy of Ea = 0.618 e V, whereas σ = 2.19 × 10-4 S cm-1 at 100% relative humidity and 293 K with Ea = 0.44 eV. The mechanism that the moisture affects the ionic conductance of the intercalated hybrid is further discussed.

  19. An experimental study on the preparation of tochilinite-originated intercalation compounds comprised of Fe 1-xS host layers and various kinds of guest layers

    Science.gov (United States)

    Peng, Yiya; Xi, Guangcheng; Zhong, Chang; Wang, Linping; Lu, Jun; Sun, Ximeng; Zhu, Lu; Han, Qikun; Chen, Lin; Shi, Lei; Sun, Mei; Li, Qianrong; Yu, Min; Yin, Mingwen

    2009-08-01

    Tochilinite represents a mineral group of ordered mixed-layer structures containing alternating Fe 1-xS layers with mackinawite-like structure and metal hydroxide layers with Mg(OH) 2-like structure. In this article, we report the preparation of a series of tochilinite-originated (or Fe 1-xS-based) intercalation compounds (ICs). According to their preparation procedures, these ICs can be divided into four kinds. The first kind of IC was sodium tochilinite (Na-tochilinite), which was prepared by the hydrothermal reaction of metallic Fe particles with concentrated Na 2S·9H 2O aqueous solutions. The hydroxide layer of the Na-tochilinite was a mixed hydroxide of Na + ions along with a certain amount of Fe 2+ ions. When the hydroxide layer of the Na-tochilinite completely dissolved in aqueous solutions, a Fe-deficient mackinawite-like phase Fe 1-xS was obtained, which was probably an electron-deficient p-type conductor. The second kind of ICs was prepared by 'low-temperature direct intercalation in aqueous solutions, using Na-tochilinite as a parental precursor. When the Na-tochilinite was ultrasonicated in aqueous solutions containing Lewis basic complexing agents (like NH 3, N 2H 4, 2,2'-bipyridine (bipy), and 1,10-phenanthroline (phen)), the Na + ions of the Na-tochilinite were removed and the Lewis basic complexing agents entered the hydroxide layer of the Na-tochilinite and became coordinated with the Fe 2+ ions, and the second kind of ICs was thus produced. The second kind of ICs includes NH 3 IC, N 2H 4 IC, N 2H 4-NH 3 IC, [Fe(bipy) 3] 2+-containing IC and [Fe(phen) 3] 2+-containing IC. The third kind of ICs, which includes NH 3 IC, N 2H 4-NH 3 IC and N 2H 4-LiOH (NaOH) IC, was prepared by the hydrothermal reaction of metallic Fe particles with (NH 4) 2S aqueous solution, S (elemental) + N 2H 4·H 2O aqueous solution, and S + N 2H 4·H 2O + LiOH (NaOH) aqueous solution, respectively. The third kind of ICs has a close relationship with the second kind of ICs both

  20. Surface and interlayer base-characters in lepidocrocite titanate: The adsorption and intercalation of fatty acid

    Energy Technology Data Exchange (ETDEWEB)

    Maluangnont, Tosapol, E-mail: tosapol.ma@kmitl.ac.th [College of Nanotechnology, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Catalytic Chemistry Research Unit, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Arsa, Pornanan [Catalytic Chemistry Research Unit, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Department of Chemistry, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Limsakul, Kanokporn; Juntarachairot, Songsit; Sangsan, Saithong [Department of Chemistry, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Gotoh, Kazuma [Graduate School of Natural Science & Technology, Okayama University, 3-1-1 Tsushima-naka, Okayama 700-8530 (Japan); Sooknoi, Tawan, E-mail: kstawan@gmail.com [Catalytic Chemistry Research Unit, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Department of Chemistry, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand)

    2016-06-15

    While layered double hydroxides (LDHs) with positively-charged sheets are well known as basic materials, layered metal oxides having negatively-charged sheets are not generally recognized so. In this article, the surface and interlayer base-characters of O{sup 2−} sites in layered metal oxides have been demonstrated, taking lepidocrocite titanate K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4} as an example. The low basicity (0.04 mmol CO{sub 2}/g) and low desorption temperature (50–300 °C) shown by CO{sub 2}− TPD suggests that O{sup 2−} sites at the external surfaces is weakly basic, while those at the interlayer space are mostly inaccessible to CO{sub 2}. The liquid-phase adsorption study, however, revealed the uptake as much as 37% by mass of the bulky palmitic acid (C{sub 16} acid). The accompanying expansion of the interlayer space by ~0.1 nm was detected by PXRD and TEM. In an opposite manner to the external surfaces, the interlayer O{sup 2−} sites can deprotonate palmitic acid, forming the salt (i.e., potassium palmitate) occluded between the sheets. Two types of basic sites are proposed based on ultrafast {sup 1}H MAS NMR and FTIR results. The interlayer basic sites in lepidocrocite titanate leads to an application of this material as a selective and stable two-dimensional (2D) basic catalyst, as demonstrated by the ketonization of palmitic acid into palmitone (C{sub 31} ketone). Tuning of the catalytic activity by varying the type of metal (Zn, Mg, and Li) substituting at Ti{sup IV} sites was also illustrated. - Graphical abstract: Interlayer basic sites in lepidocrocite titanate, K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4}, lead to an intercalation of palmitic acid with a layer expansion. Display Omitted - Highlights: • K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4} intercalates palmitic acid, forming the occluded potassium salt. • The interlayer expansion is evidenced by PXRD patterns and TEM image. • Two types of basic sites are deduced from ultrafast

  1. Does undertaking an intercalated BSc influence first clinical year exam results at a London medical school?

    Science.gov (United States)

    Howman, Mary; Jones, Melvyn

    2011-02-03

    Intercalated BScs (iBScs) are an optional part of the medical school curriculum in many Universities. Does undertaking an iBSc influence subsequent student performance? Previous studies addressing this question have been flawed by iBSc students being highly selected. This study looks at data from medical students where there is a compulsory iBSc for non-graduates. Our aim was to see whether there was any difference in performance between students who took an iBSc before or after their third year (first clinical year) exams. A multivariable analysis was performed to compare the third year results of students at one London medical school who had or had not completed their iBSc by the start of this year (n = 276). A general linear model was applied to adjust for differences between the two groups in terms of potential confounders (age, sex, nationality and baseline performance). The results of third year summative exams for 276 students were analysed (184 students with an iBSc and 92 without). Unadjusted analysis showed students who took an iBSc before their third year achieved significantly higher end of year marks than those who did not with a mean score difference of 4.4 (0.9 to 7.9 95% CI, p = 0.01). (overall mean score 238.4 "completed iBSc" students versus 234.0 "not completed", range 145.2 - 272.3 out of 300). There was however a significant difference between the two groups in their prior second year exam marks with those choosing to intercalate before their third year having higher marks. Adjusting for this, the difference in overall exam scores was no longer significant with a mean score difference of 1.4 (-4.9 to +7.7 95% CI, p = 0.66). (overall mean score 238.0 " completed iBSc" students versus 236.5 "not completed"). Once possible confounders are controlled for (age, sex, previous academic performance) undertaking an iBSc does not influence third year exam results. One explanation for this confounding in unadjusted results is that students who do better

  2. Dysprosium-containing layered double hydroxides nanoparticles intercalated with biologically active species as an approach for theranostic systems

    Energy Technology Data Exchange (ETDEWEB)

    Arratia-Quijada, Jenny [Departamento de Ciencias de la Salud, Centro Universitario Tonalá, Universidad de Guadalajara, Av. Nuevo Periférico No. 555, C.P. 48525, Tonalá, Jalisco (Mexico); Sánchez Jiménez, Cecilia [Departamento de Química, Universidad de Guadalajara, Boulevard Marcelino García Barragán 1421, C.P. 44430, Guadalajara, Jalisco (Mexico); Gurinov, Andrey [Research Resources Center for Magnetic Resonance, St. Petersburg State University, Universitetskiy pr. 26, 198504 St. Petersburg (Russian Federation); NMR Core Lab, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia); Pérez Centeno, Armando; Ceja Andrade, Israel [Departamento de Física, Universidad de Guadalajara, Boulevard Marcelino García Barragán 1421, C.P. 44430, Guadalajara, Jalisco (Mexico); Carbajal Arízaga, Gregorio Guadalupe, E-mail: gregoriocarbajal@yahoo.com.mx [Departamento de Química, Universidad de Guadalajara, Boulevard Marcelino García Barragán 1421, C.P. 44430, Guadalajara, Jalisco (Mexico)

    2016-01-15

    Graphical abstract: - Highlights: • LDH structure including dysprosium was prepared by co-precipitation. • LDH was capable to produce contrast in the T1 mode of MRI. • LDH were intercalated with folate, ibuprofen and gallate ions. - Abstract: A layered double hydroxide structure including dysprosium cations was prepared by co-precipitation. The nanoparticles showed a linear relationship with the reciprocal relaxation spin-lattice (T1) time of water protons which is reflected as contrast in aqueous suspensions analyzed by magnetic resonance imaging. The interlayer space of dysprosium containing LDH was successfully intercalated with folate, ibuprofen and gallate ions, which are key molecules for recognition of some cancer cells and treatment of diseases. The paramagnetic property of the dysprosium-containing LDH detected in this work beside the ability to transport drugs open up the opportunity to design theranostic materials in a single crystal phase with nanometric dimensions.

  3. Crystal structure of intercalated four-stranded d(C3T) at 1.4 angstroms resolution

    Science.gov (United States)

    Kang, C. H.; Berger, I.; Lockshin, C.; Ratliff, R.; Moyzis, R.; Rich, A.

    1994-01-01

    The crystal structure of d(C3T), solved at 1.4 angstroms resolution, reveals that the molecule forms a four-stranded intercalated complex. It consists of two parallel-stranded duplexes, each of which is held together by cytosine-protonated cytosine base pairs. The two duplexes are intercalated with each other and have opposite strand orientation. The molecule has a flat, lath-like appearance, and the covalently bonded cytosines have a slow right-handed twist of 17.1 degrees. However, there is considerable asymmetry. On one of the flat sides, the phosphate groups are rotated away from the center of the molecule. They are held in this orientation by bridging water molecules that bind the NH of cytosine and a phosphate group of an opposite chain. There is also considerable microheterogeneity in the structure. The cytosine hemiprotonation occurs even at pH 7 where stable crystals form.

  4. Dysprosium-containing layered double hydroxides nanoparticles intercalated with biologically active species as an approach for theranostic systems

    International Nuclear Information System (INIS)

    Arratia-Quijada, Jenny; Sánchez Jiménez, Cecilia; Gurinov, Andrey; Pérez Centeno, Armando; Ceja Andrade, Israel; Carbajal Arízaga, Gregorio Guadalupe

    2016-01-01

    Graphical abstract: - Highlights: • LDH structure including dysprosium was prepared by co-precipitation. • LDH was capable to produce contrast in the T1 mode of MRI. • LDH were intercalated with folate, ibuprofen and gallate ions. - Abstract: A layered double hydroxide structure including dysprosium cations was prepared by co-precipitation. The nanoparticles showed a linear relationship with the reciprocal relaxation spin-lattice (T1) time of water protons which is reflected as contrast in aqueous suspensions analyzed by magnetic resonance imaging. The interlayer space of dysprosium containing LDH was successfully intercalated with folate, ibuprofen and gallate ions, which are key molecules for recognition of some cancer cells and treatment of diseases. The paramagnetic property of the dysprosium-containing LDH detected in this work beside the ability to transport drugs open up the opportunity to design theranostic materials in a single crystal phase with nanometric dimensions.

  5. Câncer e agentes antineoplásicos ciclo-celular específicos e ciclo-celular não específicos que interagem com o DNA: uma introdução Cancer and cell cicle-specific and cell cicle nonspecific anticancer DNA-interactive agents: an introduction

    Directory of Open Access Journals (Sweden)

    Vera Lúcia de Almeida

    2005-02-01

    Full Text Available The chemotherapy agents against cancer may be classified as "cell cycle-specific" or "cell cycle-nonspecific". Nevertheless, several of them have their biological activity related to any kind of action on DNA such as: antimetabolic agents (DNA synthesis inhibition, inherently reactive agents (DNA alkylating electrophilic traps for macromolecular nucleophiles from DNA through inter-strand cross-linking - ISC - alkylation and intercalating agents (drug-DNA interactions inherent to the binding made due to the agent penetration in to the minor groove of the double helix. The earliest and perhaps most extensively studied and most heavily employed clinical anticancer agents in use today are the DNA inter-strand cross-linking agents.

  6. Pulse radiolysis studies of electron migration in DNA from DNA base-radical anions to nitroacridine intercalators in aqueous solution

    International Nuclear Information System (INIS)

    Anderson, R.F.; Patel, K.B.

    1991-01-01

    The reactions of the aquated electron (e aq - ) with intercalators of high reduction potential (nitracrine and related basic nitroacridines) has been investigated by pulse radiolysis in the presence of DNA in aqueous solution. Under conditions where the majority of the e aq - species react initially with DNA bases (high DNA:drug ratios) a slower subsequent electron transfer to the intercalator was observed. The rate of this intra-complex transfer, expressed as DNA base pairs traversed per second, was in the range (1.2-3.1) x 10 5 base pairs s -1 and increased in order of the one-electron reduction potentials of the DNA-bound intercalators. No transfer was seen to the much less electron affinic des-nitro analogue of the nitroacridines. Only a small proportion of the initial DNA base radicals (≤50%) underwent this intra-complex electron transfer. Even for the most efficient electron trap, nitracrine, the apparent mean electron migration distance was only three base pairs. A slow secondary reduction of nitroacridines [(0.08-5.0) x 10 4 base pairs s -1 ] was also observed with a proportion of the essentially immobile . OH-induced DNA radicals. This secondary reaction may well serve as a measure of the mobility of the DNa-bound intercalators. This study therefore implies a lack of extensive migration of DNA-associated electrons in aqueous solution, although it does not exclude the possibility that more mobile electrons produced by direct ionization of DNA might migrate over large distances. (author)

  7. One-step synthesis of graphene/polyaniline hybrids by in situ intercalation polymerization and their electromagnetic properties

    Science.gov (United States)

    Chen, Xiangnan; Meng, Fanchen; Zhou, Zuowan; Tian, Xin; Shan, Liming; Zhu, Shibu; Xu, Xiaoling; Jiang, Man; Wang, Li; Hui, David; Wang, Yong; Lu, Jun; Gou, Jihua

    2014-06-01

    A new method is introduced for the preparation of graphene/polyaniline hybrids using a one-step intercalation polymerization of aniline inside the expanded graphite. The structural and morphological characterizations were performed by X-ray diffraction analysis, transmission electron microscopy and field emission scanning electron microscopy. Both the experimental and first-principles simulated results show that the aniline cation formed by aniline and H+ tends to be drawn towards the electron-enriched zone and to intercalate into the interlayer of graphite. Subsequently, an in situ polymerization leads to the separation of graphite into graphene sheet, resulting from the exothermic effect and more vigorous movements of the chain molecules of polyaniline. The interactions between polyaniline and graphene were confirmed by Fourier transform infrared spectroscopy and Raman spectra. In addition, the graphene/polyaniline hybrid exhibited a breakthrough in the improvement of microwave absorption.A new method is introduced for the preparation of graphene/polyaniline hybrids using a one-step intercalation polymerization of aniline inside the expanded graphite. The structural and morphological characterizations were performed by X-ray diffraction analysis, transmission electron microscopy and field emission scanning electron microscopy. Both the experimental and first-principles simulated results show that the aniline cation formed by aniline and H+ tends to be drawn towards the electron-enriched zone and to intercalate into the interlayer of graphite. Subsequently, an in situ polymerization leads to the separation of graphite into graphene sheet, resulting from the exothermic effect and more vigorous movements of the chain molecules of polyaniline. The interactions between polyaniline and graphene were confirmed by Fourier transform infrared spectroscopy and Raman spectra. In addition, the graphene/polyaniline hybrid exhibited a breakthrough in the improvement of

  8. Preparation of layered double hydroxides intercalated with organic anions and their application in LDH/poly(butyl methacrylate) nanocomposites

    Czech Academy of Sciences Publication Activity Database

    Kovanda, F.; Jindrová, E.; Lang, Kamil; Kubát, Pavel; Sedláková, Zdeňka

    2010-01-01

    Roč. 48, 1-2 (2010), s. 260-270 ISSN 0169-1317 R&D Projects: GA AV ČR KAN100500651 Institutional research plan: CEZ:AV0Z40320502; CEZ:AV0Z40400503; CEZ:AV0Z40500505 Keywords : Layered double hydroxides * intercalation * poly(butyl methacrylate) nanocomposite * photoactive materials Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.303, year: 2010

  9. AMS Radiocarbon dating of paleosols intercalated with tephra layers from Mayon Volcano, southern Luzon, Philippines: A preliminary report

    Science.gov (United States)

    Mirabueno, Ma. Hannah T.; Okuno, Mitsuru; Nakamura, Toshio; Newhall, Christopher G.; Kobayashi, Tetsuo

    2006-01-01

    This paper presents the AMS 14C dates of paleosols intercalated with tephra layers in the vicinity of Mayon Volcano, southern Luzon, Philippines. the obtained 14C dates are almost consistent with the stratigraphy of the Mayon tephra group. On the basis of calibrated 14C age of soil layer directly overlying the lowest ash layer, the oldest eruptive event must have taken place shortly before 20 cal kyr BP. This age is younger than the previous estimates for Mayon.

  10. Liquid Metallic Hydrogen III. Intercalation and Lattice Exclusion Versus Gravitational Settling and Their Consequences Relative to Internal Structure, Surface Activity, and Solar Winds in the Sun

    Directory of Open Access Journals (Sweden)

    Robitaille P.-M.

    2013-04-01

    intercalation compounds of graphite and their exfoliative forces. In this context, solar winds and activity provide evidence that the lattice of the Sun is not only excluding, but expelling helium and higher elements from the solar body. Finally, exfoliative forces could provide new mechanisms to help understand the creation of planets, satellites, red giants, and even supernova.

  11. Effect of molecular intercalation on the local structure of superconducting Nax(NH3)yMoSe2 system

    Science.gov (United States)

    Simonelli, L.; Paris, E.; Wakita, T.; Marini, C.; Terashima, K.; Miao, X.; Olszewski, W.; Ramanan, N.; Heinis, D.; Kubozono, Y.; Yokoya, T.; Saini, N. L.

    2017-12-01

    We have studied the local structure of layered Nax(NH3)yMoSe2 system by Mo K-edge extended X-ray absorption fine structure (EXAFS) measurements performed as a function of temperature. We find that molecular intercalation in MoSe2 largely affects the Mo-Se network while Mo-Mo seems to sustain small changes. The Einstein temperature (ΘE) of Mo-Mo distance hardly changes (∼264 K) indicating that bond strength of this distance remains unaffected by intercalation. On the other hand, Mo-Se distance suffers a softening, revealed by the decrease of ΘE from ∼364 K to ∼350 K. The results indicate that Na+ ion transported by NH3 molecules may enter between the two MoSe-layers resulting reduced Se-Se coupling. Therefore, increased hybridization between Se 4p and Mo 4d orbitals due to inter-layer disorder is the likely reason of metallicity in intercalated MoSe2 and superconductivity at low temperature.

  12. First-principles estimates of free energy barriers for Mg desolvation and intercalation at electrolyte/electrode interfaces

    Science.gov (United States)

    Wan, Liwen; Prendergast, David

    2014-03-01

    There is a growing interest in developing multivalent ion batteries that could, in principle, double or triple the energy density compared to the monovalent Li-ion batteries. However, the strong electrostatic interaction caused by the extra charge also makes it very challenging to find appropriate intercalation compounds that allow for relatively fast and reversible ion transport. An established working multivalent battery is comprised of Mg(AlCl2BuEt)2 salts in THF solution as the electrolyte, and Mg metal and Mo6S8 Chevrel phase as the anode and cathode, respectively. Currently, we lack a clear understanding of the mechanism for Mg desolvation and intercalation at the interface between the electrolyte and Chevrel phase surfaces, which is critical in designing new advanced battery systems with improved ion diffusion rate. Here, we present a theoretical investigation of the dynamics and kinetics of the Mg desolvation/intercalation process. The surface properties of Mo6S8 are studied for the first time using density functional theory (DFT) and its interaction with the electrolyte is simulated via an ab initio molecular dynamics (AIMD) approach. The free energy barrier for Mg diffusing through the interface is then calculated by performing a set of biased AIMD simulations. This work is supported as part of the Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences.

  13. Properties of K,Rb-intercalated C60 encapsulated inside carbon nanotubes called peapods derived from nuclear magnetic resonance

    KAUST Repository

    Mahfouz, Remi

    2015-09-18

    We present a detailed experimental study on how magnetic and electronic properties of Rb,K-intercalated C60 encapsulated inside carbon nanotubes called peapods can be derived from 13C nuclear magnetic resonance investigations. Ring currents do play a basic role in those systems; in particular, the inner cavities of nanotubes offer an ideal environment to investigate the magnetism at the nanoscale. We report the largest diamagnetic shifts down to −68.3 ppm ever observed in carbon allotropes, which is connected to the enhancement of the aromaticity of the nanotube envelope upon intercalation. The metallization of intercalated peapods is evidenced from the chemical shift anisotropy and spin-lattice relaxation (T1) measurements. The observed relaxation curves signal a three-component model with two slow and one fast relaxing components. We assigned the fast component to the unpaired electrons charged C60 that show a phase transition near 100 K. The two slow components can be rationalized by the two types of charged C60 at two different positions with a linear regime following Korringa behavior, which is typical for metallic system and allow us to estimate the density of sate at Fermi level n(EF).

  14. DNA intercalation studies and antimicrobial activity of Ag@ZrO{sub 2} core–shell nanoparticles in vitro

    Energy Technology Data Exchange (ETDEWEB)

    Dhanalekshmi, K.I., E-mail: dhanamveni88@gmail.com; Meena, K.S.

    2016-02-01

    Ag@ZrO{sub 2} core–shell nanoparticles were prepared by one pot simultaneous reduction of AgNO{sub 3} and hydrolysis of zirconium (IV) isopropoxide. The formation of core–shell nanoparticles was confirmed by absorption, XRD, and HR-TEM techniques. The antibacterial activity of Ag@ZrO{sub 2} core–shell nanoparticles against Escherichia coli and Staphylococcus aureus and the antifungal properties against Candida albicans, Candida glabrata, Aspergillus niger and Aspergillus flavus were examined by the agar diffusion method. DNA intercalation studies were carried out in CT-DNA. As a result ZrO{sub 2} supported on the surface of AgNPs not only prevented aggregation, but also proved to have enhanced antimicrobial activity and DNA intercalation than the Ag nanoparticles. - Highlights: • Ag@ZrO{sub 2} core–shell nanoparticles were prepared by one pot synthesis. • The ZrO{sub 2} coated AgNPs prevent aggregation and enhanced stability. • The surfaced modified AgNPs showed higher antimicrobial activity. • DNA intercalation studies show better binding affinity of core–shell NPs.

  15. Current-induced transition from particle-by-particle to concurrent intercalation in phase-separating battery electrodes

    KAUST Repository

    Li, Yiyang

    2014-09-14

    ©2014 Macmillan Publishers Limited. All rights reserved. Many battery electrodes contain ensembles of nanoparticles that phase-separate on (de)intercalation. In such electrodes, the fraction of actively intercalating particles directly impacts cycle life: a vanishing population concentrates the current in a small number of particles, leading to current hotspots. Reports of the active particle population in the phase-separating electrode lithium iron phosphate (LiFePO 4; LFP) vary widely, ranging from near 0% (particle-by-particle) to 100% (concurrent intercalation). Using synchrotron-based X-ray microscopy, we probed the individual state-of-charge for over 3,000 LFP particles. We observed that the active population depends strongly on the cycling current, exhibiting particle-by-particle-like behaviour at low rates and increasingly concurrent behaviour at high rates, consistent with our phase-field porous electrode simulations. Contrary to intuition, the current density, or current per active internal surface area, is nearly invariant with the global electrode cycling rate. Rather, the electrode accommodates higher current by increasing the active particle population. This behaviour results from thermodynamic transformation barriers in LFP, and such a phenomenon probably extends to other phase-separating battery materials. We propose that modifying the transformation barrier and exchange current density can increase the active population and thus the current homogeneity. This could introduce new paradigms to enhance the cycle life of phase-separating battery electrodes.

  16. SUPPRESSION OF HUMORAL IMMUNE RESPONSES BY 2,3,7,8-TETRACHLORODIBENZO-p-DIOXIN INTERCALATED IN SMECTITE CLAY

    Science.gov (United States)

    Boyd, Stephen A.; Johnston, Cliff T.; Pinnavaia, Thomas J.; Kaminski, Norbert E.; Teppen, Brian J.; Li, Hui; Khan, Bushra; Crawford, Robert B.; Kovalova, Natalia; Kim, Seong-Su; Shao, Hua; Gu, Cheng; Kaplan, Barbara L.F.

    2018-01-01

    2,3,7,8-Tetrachlorodibenzo-p-dioxin (TCDD) is a highly toxic environmental contaminant found in soils and sediments. Because of its exceptionally low water solubility, this compound exists predominantly in the sorbed state in natural environments. Clay minerals, especially expandable smectite clays, are one of the major component geosorbents in soils and sediments that can function as an effective adsorbent for environmental dioxins, including TCDD. In this study, TCDD was intercalated in the smectite clay saponite by an incipient wetness method. The primary goal of this study was to intercalate TCDD in natural K-saponite clay and evaluate its immunotoxic effects in vivo. The relative bioavailability of TCDD was evaluated by comparing the metabolic activity of TCDD administered in the adsorbed state as an intercalate in saponite and freely dissolved in corn oil. This comparison revealed nearly identical TCDD-induced suppression of humoral immunity, a well-established and sensitive sequela, in a mammalian (mouse) model. This result suggests that TCDD adsorbed by clays is likely to be available for biouptake and biodistribution in mammals, consistent with previous observations of TCDD in livestock exposed to dioxin-contaminated ball clays that were used as feed additives. Adsorption of TCDD by clay minerals does not appear to mitigate risk associated with TCDD exposure substantially. PMID:21994089

  17. Femtomole level photoelectrochemical aptasensing for mercury ions using quercetin-copper(II) complex as the DNA intercalator.

    Science.gov (United States)

    Li, Hongbo; Xue, Yan; Wang, Wei

    2014-04-15

    An ultrasensitive and selective photoelectrochemical (PEC) aptasensor for mercury ions was first fabricated based on perylene-3, 4, 9, 10-tetracarboxylic acid/graphene oxide (PTCA/GO) heterojunction using quercetin-copper(II) complex intercalated into the poly(dT)-poly(dA) duplexes. Both the PTCA/GO heterojunction and the quercetin-copper(II) complex are in favor of the sensitivity for the fabricated PEC aptasensor due to band alignment and strong reduction capability, respectively. And they efficiently promote the separation of photoexcited carriers and enhance the photocurrent. The formation of thymine-Hg(2+)-thymine coordination chemistry resulted in the dehybridization of poly(dT)-poly(dA) duplexes and then the intercalator quercetin-copper(II) complex broke away from the surface of the PEC aptasensor. As the concentration of mercury ions increased, the photocurrent gradually decreased. The electrode response for mercury ions detection was in the linear range from 0.01 pmol L(-1) to 1.00 pmol L(-1) with the detection limit of 3.33 fmol L(-1). The label-free PEC aptasensor has excellent performances with ultrasensitivity and good selectivity besides the advantage of economic and facile fabrication. The strategy of quercetin-copper(II) complex as a novel DNA intercalator paves a new way to improve the performances for PEC sensors. © 2013 Published by Elsevier B.V.

  18. Enhanced anti-HIV-1 activity of G-quadruplexes comprising locked nucleic acids and intercalating nucleic acids

    DEFF Research Database (Denmark)

    Pedersen, Erik Bjerregaard; Nielsen, Jakob Toudahl; Nielsen, Claus

    2011-01-01

    Two G-quadruplex forming sequences, 50-TGGGAG and the 17-mer sequence T30177, which exhibit anti-HIV-1 activity on cell lines, were modified using either locked nucleic acids (LNA) or via insertions of (R)-1-O-(pyren-1-ylmethyl)glycerol (intercalating nucleic acid, INA) or (R)-1-O-[4-(1-pyrenylet......Two G-quadruplex forming sequences, 50-TGGGAG and the 17-mer sequence T30177, which exhibit anti-HIV-1 activity on cell lines, were modified using either locked nucleic acids (LNA) or via insertions of (R)-1-O-(pyren-1-ylmethyl)glycerol (intercalating nucleic acid, INA) or (R)-1-O-[4......-(1-pyrenylethynyl)phenylmethyl]glycerol (twisted intercalating nucleic acid, TINA). Incorporation of LNA or INA/TINA monomers provide as much as 8-fold improvement of anti-HIV-1 activity. We demonstrate for the first time a detailed analysis of the effect the incorporation of INA/TINA monomers in quadruplex forming...... of the antiviral QFOs in the present study formed more thermally stable G-quadruplexes and also high-order G-quadruplex structures which might be responsible for the increased antiviral activity observed....

  19. Compression of the DNA substrate by a viral packaging motor is supported by removal of intercalating dye during translocation.

    Science.gov (United States)

    Dixit, Aparna Banerjee; Ray, Krishanu; Black, Lindsay W

    2012-12-11

    Viral genome packaging into capsids is powered by high-force-generating motor proteins. In the presence of all packaging components, ATP-powered translocation in vitro expels all detectable tightly bound YOYO-1 dye from packaged short dsDNA substrates and removes all aminoacridine dye from packaged genomic DNA in vivo. In contrast, in the absence of packaging, the purified T4 packaging ATPase alone can only remove up to ∼1/3 of DNA-bound intercalating YOYO-1 dye molecules in the presence of ATP or ATP-γ-S. In sufficient concentration, intercalating dyes arrest packaging, but rare terminase mutations confer resistance. These distant mutations are highly interdependent in acquiring function and resistance and likely mark motor contact points with the translocating DNA. In stalled Y-DNAs, FRET has shown a decrease in distance from the phage T4 terminase C terminus to portal consistent with a linear motor, and in the Y-stem DNA compression between closely positioned dye pairs. Taken together with prior FRET studies of conformational changes in stalled Y-DNAs, removal of intercalating compounds by the packaging motor demonstrates conformational change in DNA during normal translocation at low packaging resistance and supports a proposed linear "DNA crunching" or torsional compression motor mechanism involving a transient grip-and-release structural change in B form DNA.

  20. The effect of surface-bulk potential difference on the kinetics of intercalation in core-shell active cathode particles

    Science.gov (United States)

    Kazemiabnavi, Saeed; Malik, Rahul; Orvananos, Bernardo; Abdellahi, Aziz; Ceder, Gerbrand; Thornton, Katsuyo

    2018-04-01

    Surface modification of active cathode particles is commonly observed in battery research as either a surface phase evolving during the cycling process, or intentionally engineered to improve capacity retention, rate capability, and/or thermal stability of the cathode material. Here, a continuum-scale model is developed to simulate the galvanostatic charge/discharge of a cathode particle with core-shell heterostructure. The particle is assumed to be comprised of a core material encapsulated by a thin layer of a second phase that has a different open-circuit voltage. The effect of the potential difference between the surface and bulk phases (Ω) on the kinetics of lithium intercalation and the galvanostatic charge/discharge profiles is studied at different values of Ω, C-rates, and exchange current densities. The difference between the Li chemical potential in the surface and bulk phases of the cathode particle results in a concentration difference between these two phases. This leads to a charge/discharge asymmetry in the galvanostatic voltage profiles, causing a decrease in the accessible capacity of the particle. These effects are more significant at higher magnitudes of surface-bulk potential difference. The proposed model provides detailed insight into the kinetics and voltage behavior of the intercalation/de-intercalation processes in core-shell heterostructure cathode particles.

  1. New superconducting intercalation compounds of organic five-membered heterocyclic compounds with 2H-tantalum disulfide

    International Nuclear Information System (INIS)

    Hummel, H.U.; Fackler, R.; Remmert, P.

    1992-01-01

    The intercalation compounds TaS 2 (pyrrole) 0.5 (1), TaS 2 (2-methylpyrrole) 0.33 (2), TaS 2 (2,5-dimethylpyrrole) (3), TaS 2 (thiazole) 0.33 (4) and TaS 2 (imidazole) 0.33 (5) are formed readily in closed systems at temperatures up to 200degC. Furane and thiophene show no tendency to intercalate in 2H-TaS 2 . Compounds 2-5 are molecular intercalation species, and deintercalation is finished at 350degC, while in 1 the pyrrole guests have been associated and thermally induced deintercalation proceeds up to 900degC with fragmentation. 1-5 can be indexed on the basis of hexagonal symmetry assuming the space group P6 3 /mmc. In 1 the stacking sequence of the host lattice TaS 2 remains unchanges while in 2, 3 and 5 a transformation from the BaB CaC stacking of 2H-TaS 2 to a sequence AbA AcA occurs. In 4 a stacking CbC BcB like in MoS 2 is realized. 1-5 show superconducting behaviour at low temperatures, 2 exhibits a pronounced metall-semiconductor transition at 220 K. (orig.)

  2. Radiopharmaceutical scanning agents

    International Nuclear Information System (INIS)

    1976-01-01

    This invention is directed to dispersions useful in preparing radiopharmaceutical scanning agents, to technetium labelled dispersions, to methods for preparing such dispersions and to their use as scanning agents

  3. Synthesis and UV absorption properties of 5-sulfosalicylate-intercalated Zn Al layered double hydroxides

    Science.gov (United States)

    Zhang, Linyan; Lin, Yanjun; Tuo, Zhenjun; Evans, David G.; Li, Dianqing

    2007-04-01

    5-sulfosalicylic acid (SSA) anions have been intercalated into layered double hydroxides (LDHs) by an anion-exchange reaction using ZnAl-NO 3-LDHs as a precursor. The samples were characterized by XRD, FT-IR, TG-DTA/MS and UV-visible spectroscopy. The results show that the NO 3- anions in the precursor have been completely replaced by SSA anions to give ZnAl-SSA-LDHs having a high degree of crystallinity. Detailed studies reveal the existence of a supramolecular structure in ZnAl-SSA-LDHs involving electrostatic attraction between opposite charges, hydrogen bonding and other weak chemical bonding interactions between host layers and SSA anions. The thermal stability of ZnAl-SSA-LDHs is considerably enhanced compared with that of a mixture of ZnAl-NO 3-LDHs and SSA. After addition of 2.0 wt% ZnAl-SSA-LDHs to polypropylene (PP), the resistance of the polymer to UV degradation is significantly improved.

  4. Overexpression of Pendrin in Intercalated Cells Produces Chloride-Sensitive Hypertension

    Science.gov (United States)

    Jacques, Thibaut; Picard, Nicolas; Miller, R. Lance; Riemondy, Kent A.; Houillier, Pascal; Sohet, Fabien; Ramakrishnan, Suresh K.; Büsst, Cara J.; Jayat, Maximilien; Cornière, Nicolas; Hassan, Hatim; Aronson, Peter S.; Hennings, Jean Christopher; Hübner, Christian A.; Nelson, Raoul D.; Chambrey, Régine

    2013-01-01

    Inherited and acquired disorders that enhance the activity of transporters mediating renal tubular Na+ reabsorption are well established causes of hypertension. It is unclear, however, whether primary activation of an Na+-independent chloride transporter in the kidney can also play a pathogenic role in this disease. Here, mice overexpressing the chloride transporter pendrin in intercalated cells of the distal nephron (TgB1-hPDS mice) displayed increased renal absorption of chloride. Compared with normal mice, these transgenic mice exhibited a delayed increase in urinary NaCl and ultimately, developed hypertension when exposed to a high-salt diet. Administering the same sodium intake as NaHCO3 instead of NaCl did not significantly alter BP, indicating that the hypertension in the transgenic mice was chloride-sensitive. Moreover, excessive chloride absorption by pendrin drove parallel absorption of sodium through the epithelial sodium channel ENaC and the sodium-driven chloride/bicarbonate exchanger (Ndcbe), despite an appropriate downregulation of these sodium transporters in response to the expanded vascular volume and hypertension. In summary, chloride transport in the distal nephron can play a primary role in driving NaCl transport in this part of the kidney, and a primary abnormality in renal chloride transport can provoke arterial hypertension. Thus, we conclude that the chloride/bicarbonate exchanger pendrin plays a major role in controlling net NaCl absorption, thereby influencing BP under conditions of high salt intake. PMID:23766534

  5. Rechargeable Aqueous Zinc-Ion Battery Based on Porous Framework Zinc Pyrovanadate Intercalation Cathode

    KAUST Repository

    Xia, Chuan

    2017-12-11

    In this work, a microwave approach is developed to rapidly synthesize ultralong zinc pyrovanadate (Zn3V2O7(OH)2·2H2O, ZVO) nanowires with a porous crystal framework. It is shown that our synthesis strategy can easily be extended to fabricate other metal pyrovanadate compounds. The zinc pyrovanadate nanowires show significantly improved electrochemical performance when used as intercalation cathode for aqueous zinc–ion battery. Specifically, the ZVO cathode delivers high capacities of 213 and 76 mA h g−1 at current densities of 50 and 3000 mA g−1, respectively. Furthermore, the Zn//ZVO cells show good cycling stability up to 300 cycles. The estimated energy density of this Zn cell is ≈214Wh kg−1, which is much higher than commercial lead–acid batteries. Significant insight into the Zn-storage mechanism in the pyrovanadate cathodes is presented using multiple analytical methods. In addition, it is shown that our prototype device can power a 1.5 V temperature sensor for at least 24 h.

  6. Fingerprint detection and using intercalated CdSe nanoparticles on non-porous surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Algarra, Manuel, E-mail: malgarra67@gmail.com [Centro de Geología da Universidade do Porto, Departamento de Geociências, Ambiente e Ordenamemto do Territorio do Porto, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Radotić, Ksenija; Kalauzi, Aleksandar; Mutavdžić, Dragosav; Savić, Aleksandar [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11000 Beograd (Serbia); Jiménez-Jiménez, José; Rodríguez-Castellón, Enrique [Departamento de Química Inorgánica, Facultad de Ciencias, Universidad de Málaga, Campus de Teatinos s/n, 29071Málaga (Spain); Silva, Joaquim C.G. Esteves da [Centro de Investigação em Química (CIQ-UP). Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Guerrero-González, Juan José [Policía Científica, Cuerpo Nacional de Policía, Málaga (Spain)

    2014-02-17

    Graphical abstract: -- Highlights: •Fluorescent nanocomposite based on the inclusion of CdSe quantum dots in porous phosphate heterostructures. •Characterized by FTIR, XRD and fluorescence spectroscopies. •Deconvolution of the emission spectra was confirmed by using multivariate curve resolution (MCR) method. •Application for fingerprint detection and analysis on different non-porous surfaces. -- Abstract: A fluorescent nanocomposite based on the inclusion of CdSe quantum dots in porous phosphate heterostructures, functionalized with amino groups (PPH-NH{sub 2}@CdSe), was synthesized, characterized and used for fingerprint detection. The main scopes of this work were first to develop a friendly chemical powder for detecting latent fingerprints, especially in non-porous surfaces; their further intercalation in PPH structure enables not to spread the fluorescent nanoparticles, for that reason very good fluorescent images can be obtained. The fingerprints, obtained on different non-porous surfaces such as iron tweezers, mobile telephone screen and magnetic band of a credit card, treated with this powder emit a pale orange luminescence under ultraviolet excitation. A further image processing consists of contrast enhancement that allows obtaining positive matches according to the information supplied from a police database, and showed to be more effective than that obtained with the non-processed images. Experimental results illustrate the effectiveness of proposed methods.

  7. Tuning a Schottky barrier of epitaxial graphene/4H-SiC (0001) by hydrogen intercalation

    Energy Technology Data Exchange (ETDEWEB)

    Dharmaraj, P.; Justin Jesuraj, P.; Jeganathan, K., E-mail: kjeganathan@yahoo.com [Centre for Nanoscience and Nanotechnology, School of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu (India)

    2016-02-01

    We report the electron transport properties of epitaxial graphene (EG) grown on 4H-SiC (0001) by low energy electron-beam irradiation. As-grown EG (AEG) on SiC interface exhibits rectifying current-voltage characteristics with a low Schottky barrier (SB) of 0.55 ± 0.05 eV and high reverse current leakage. The SB of AEG/SiC junction is extremely impeded by the Fermi level pinning (FLP) above the Dirac point due to charged states at the interface. Nevertheless, a gentle hydrogen intercalation at 900 °C enables the alleviation of both FLP and carrier scattering owing to the saturation of dangling bonds as evidenced by the enhancement of SB (0.75 ± 0.05 eV) and high electron mobility well excess of 6000 cm{sup 2} V{sup −1} s{sup −1}.

  8. Effect of Layer Charge on CO2 and H2O Intercalations in Swelling Clays.

    Science.gov (United States)

    Rao, Qi; Leng, Yongsheng

    2016-11-08

    The effect of layer charge on the intercalation of supercritical carbon dioxide (scCO 2 )-H 2 O mixture in Na-montmorillonite clay interlayers under T = 323 K and P = 90 bar geologic sequestration conditions has been further investigated. This effect includes the charge amount and its location (within either octahedral or tetrahedral layers due to isomorphic substitutions). Two clay models with different layer charges are used in this study. Simulation results show that the increase of charge amount shifts the monolayer-to-bilayer (1W-to-2W) hydration transition toward the lower relative humidity (RH), increasing water sorption at the expense of reducing the overall sorption amount of CO 2 in the clay interlayer. However, the combination of the influence of charge amount and charge location leads to insignificant changes in equilibrium basal spacings of the high- and low-charge clays. Molecular dynamics simulations show that the CO 2 dimers, which are frequently seen in low-charge clay interlayers, vanish in high-charge clay interlayers even at low RH of 30%.

  9. Synthesis, Characterization and DNA Binding Activity of a Potential DNA Intercalator

    International Nuclear Information System (INIS)

    Siti Norain Harun; Yaakob Razak; Haslina Ahmad

    2016-01-01

    A novel complex, (Ru(dppz) 2 (p-MOPIP)) 2+ (dppz = dipyrido-(3,2-a:20,30-c]phenazine, p-MOPIP = 2-(4-methoxyphenyl) imidazo(4,5-f)(1,10]phenanthroline) has been synthesized and characterized by elemental analysis, 1 H Nuclear Magnetic Resonance spectroscopy, mass spectrometry, Fourier Transform Infrared analysis, Ultra Violet visible and fluorescence spectroscopy. Herein, the complex was designed by adding p-MOPIP as an intercalating ligand and dppz as the ancillary ligand. The DNA binding properties of the complex with Calf Thymus DNA (CT-DNA) were investigated using spectroscopic methods. The UV-visible absorption band observed at 460 nm corresponded to the metal-to-ligand charge transfer (MLCT) while bands at 358 and 281 nm corresponded to intra-ligand (IL) π-π * transitions of the ligand scaffold in p-MOPIP and dppz. The intrinsic binding constant, K b for this complex was 1.67x10 6 M -1 and this suggested that this complex, (Ru(dppz) 2 (p-MOPIP)) 2+ bound to DNA via the intercalative mode. Interestingly, the interaction of this complex with CT-DNA also had a molecular light switch effect. (author)

  10. Sodium intercalation in the phosphosulfate cathode NaFe2(PO4)(SO4)2

    Science.gov (United States)

    Ben Yahia, Hamdi; Essehli, Rachid; Amin, Ruhul; Boulahya, Khalid; Okumura, Toyoki; Belharouak, Ilias

    2018-04-01

    The compound NaFe2(PO4)(SO4)2 is successfully synthesized via a solid state reaction route and its crystal structure is determined using powder X-ray diffraction data. NaFe2(PO4)(SO4)2 phase is also characterized by cyclic voltammetry, galvanostatic cycling and electrochemical impedance spectroscopy. NaFe2(PO4)(SO4)2 crystallizes with the well-known NASICON-type structure. SAED and HRTEM experiments confirm the structural model, and no ordering between the PO4-3 and SO4-2 polyanions is detected. The electrochemical tests indicate that NaFe2(PO4)(SO4)2 is a 3 V sodium intercalating cathode. The electrical conductivity is relatively low (2.2 × 10-6 Scm-1 at 200 °C) and the obtained activation energy is ∼0.60eV. The GITT experiments indicate that the diffusivity values are in the range of 10-11-10-12 cm2/s within the measured sodium concentrations.

  11. Rashba Interaction and Local Magnetic Moments in a Graphene-BN Heterostructure Intercalated with Au

    Science.gov (United States)

    O'Farrell, E. C. T.; Tan, J. Y.; Yeo, Y.; Koon, G. K. W.; Ã-zyilmaz, B.; Watanabe, K.; Taniguchi, T.

    2016-08-01

    We intercalate a van der Waals heterostructure of graphene and hexagonal boron nitride with Au, by encapsulation, and show that the Au at the interface is two dimensional. Charge transfer upon current annealing indicates the redistribution of the Au and induces splitting of the graphene band structure. The effect of an in-plane magnetic field confirms that the splitting is due to spin splitting and that the spin polarization is in the plane, characteristic of a Rashba interaction with a magnitude of approximately 25 meV. Consistent with the presence of an intrinsic interfacial electric field we show that the splitting can be enhanced by an applied displacement field in dual gated samples. A giant negative magnetoresistance, up to 75%, and a field induced anomalous Hall effect at magnetic fields <1 T are observed. These demonstrate that the hybridized Au has a magnetic moment and suggests the proximity to the formation of a collective magnetic phase. These effects persist close to room temperature.

  12. Mechanochemical synthesis of dodecyl sulfate anion (DS-) intercalated Cu-Al layered double hydroxide

    Science.gov (United States)

    Qu, Jun; He, Xiaoman; Lei, Zhiwu; Zhang, Qiwu; Liu, Xinzhong

    2017-12-01

    Dodecyl sulfate anion (DS-) was successfully intercalated into the gallery space of Cu-Al layered double hydroxides (LDH) by a non-heating mechanochemical route, in which basic cupric carbonate (Cu2(OH)2CO3) and aluminum hydroxide (Al(OH)3) were first dry ground and then agitated in SDS solution under ambient environment. The organics modified Cu-Al LDH showed good adsorption ability toward 2,4-dichlorophenoxyacetic acid (2, 4-D). The prepared samples were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), CHS elemental analysis and Scanning electron microscopy (SEM). The LDH precursor prepared by ball-milling could directly react with SDS molecules forming a pure phase of DS- pillared Cu-Al LDH, which was not observed with the LDH product through the ion-exchange of DS- at room temperature. The process introduced here may be applied to manufacture other types of organic modified composites for pollutants removal and other applications.

  13. The Electrical and Thermal Conductivity of Woven Pristine and Intercalated Graphite Fiber-Polymer Composites

    Science.gov (United States)

    Gaier, James R.; Vandenburg, Yvonne Yoder; Berkebile, Steven; Stueben, Heather; Balagadde, Frederick

    2002-01-01

    A series of woven fabric laminar composite plates and narrow strips were fabricated from a variety of pitch-based pristine and bromine intercalated graphite fibers in an attempt to determine the influence of the weave on the electrical and thermal conduction. It was found generally that these materials can be treated as if they are homogeneous plates. The rule of mixtures describes the resistivity of the composite fairly well if it is realized that only the component of the fibers normal to the equipotential surface will conduct current. When the composite is narrow with respect to the fiber weave, however, there is a marked angular dependence of the resistance which was well modeled by assuming that the current follows only along the fibers (and not across them in a transverse direction), and that the contact resistance among the fibers in the composite is negligible. The thermal conductivity of composites made from less conductive fibers more closely followed the rule of mixtures than that of the high conductivity fibers, though this is thought to be an artifact of the measurement technique. Electrical and thermal anisotropy could be induced in a particular region of the structure by weaving together high and low conductivity fibers in different directions, though this must be done throughout all of the layers of the structure as interlaminar conduction precludes having only the top layer carry the anisotropy. The anisotropy in the thermal conductivity is considerably less than either that predicted by the rule of mixtures or the electrical resistivity.

  14. Interlayer coupling enhancement in graphene/hexagonal boron nitride heterostructures by intercalated defects or vacancies

    Science.gov (United States)

    Park, Sohee; Park, Changwon; Kim, Gunn

    2014-04-01

    Hexagonal boron nitride (hBN), a remarkable material with a two-dimensional atomic crystal structure, has the potential to fabricate heterostructures with unusual properties. We perform first-principles calculations to determine whether intercalated metal atoms and vacancies can mediate interfacial coupling and influence the structural and electronic properties of the graphene/hBN heterostructure. Metal impurity atoms (Li, K, Cr, Mn, Co, and Cu), acting as extrinsic defects between the graphene and hBN sheets, produce n-doped graphene. We also consider intrinsic vacancy defects and find that a boron monovacancy in hBN acts as a magnetic dopant for graphene, whereas a nitrogen monovacancy in hBN serves as a nonmagnetic dopant for graphene. In contrast, the smallest triangular vacancy defects in hBN are unlikely to result in significant changes in the electronic transport of graphene. Our findings reveal that a hBN layer with some vacancies or metal impurities enhances the interlayer coupling in the graphene/hBN heterostructure with respect to charge doping and electron scattering.

  15. Structure of cationic dyes assemblies intercalated in the films of montmorillonite

    International Nuclear Information System (INIS)

    Bujdak, Juraj; Czimerova, Adriana; Iyi, Nobuo

    2008-01-01

    Hybrid materials based on cationic organic dyes intercalated in oriented clay mineral films were prepared via dye adsorption from aqueous solutions on the films having been prepared by a spin-coating method. The films with four thiazine dyes thionine, azure A, azure B and methylene blue and one representative xanthene dye, pyronin Y (Py), were investigated. Four reduced charge montmorillonites (RCM) were used as clay mineral templates, representing a semi-synthetic series of materials of almost the same composition, but different in the layer charge and related properties. The interlayer structure was investigated using X-ray diffraction and linearly-polarized absorption spectroscopy in ultraviolet-visible region. The effects of the molecular structure of the dyes and the different layer charge densities of the clays mineral on the molecular orientation were studied. The structure of the assemblies was very similar for thiazine dyes, but different for the case of Py. In the latter case, the formation of bimolecular layers of Py cations led to a significantly higher interlayer expansion. Unusual structural properties of Py/RCM films were interpreted in terms of the presence of polar/non-polar zones in heteroaromatic skeleton of Py cation to influence dye cation aggregation to specific molecular assemblies

  16. A molecular model for epsilon-caprolactam-based intercalated polymer clay nanocomposite: Integrating modeling and experiments.

    Science.gov (United States)

    Sikdar, Debashis; Katti, Dinesh R; Katti, Kalpana S

    2006-08-29

    In studying the morphology, molecular interactions, and physical properties of organically modified montmorillonite (OMMT) and polymer clay nanocomposites (PCNs) through molecular dynamics (MD), the construction of the molecular model of OMMT and PCN is important. Better understanding of interaction between various constituents of PCN will improve the design of polymer clay nanocomposite systems. MD is an excellent tool to study interactions, which require accurate modeling of PCN under consideration. Previously, the PCN models were constructed by different researchers on the basis of specific criteria such as minimum energy configuration, density of the polymer clay nanocomposite, and so forth. However, in this article we describe the development of models combining experimental and conventional molecular modeling to develop models, which are more representative of true intercalated PCN systems. The models were used for studying the morphological interactions and physical properties. These studies gave useful information regarding orientation of organic modifiers, area of coverage of organic modifiers over the interlayer clay surface, interaction of organic modifiers with clay in OMMT, interaction among different constituents of PCN, conformational and density change, and actual proportion of mixing of polymer with clay in PCN. We have X-ray diffraction and photoacoustic Fourier transform infrared spectroscopy to verify the model.

  17. In-situ imaging of Li intercalation in graphite particles in an Li-ion battery.

    Science.gov (United States)

    Takata, Keiji

    2017-06-01

    This paper presents the imaging of the expansion and contraction of graphite particles at the anode of a lithium-ion battery. The intercalation and deintercalation of Li ions in the graphite particles induced by charging and discharging lead to expansion and contraction of the layered materials. These changes in volume were imaged through current collectors using scanning probe microscopy, which permitted in-situ observation of the Li ion shift with high resolutions. We were able to evaluate the properties of each individual graphite particle. Here, we present variations in the images obtained by two methods of charging/discharging. In one method, the applied fields are changed, forcing the ions to move back into the graphite particles. Images showing detailed structures were obtained, allowing us to investigate the fine structures of the graphite particles. In the other method, the amount of ions is periodically injected into the graphite, which did not reveal the detailed structure but clearly distinguished inactive from active particles. © 2017 The Authors Journal of Microscopy © 2017 Royal Microscopical Society.

  18. Cell vertices as independent actors during cell intercalation in epithelial morphogenesis

    Science.gov (United States)

    Loerke, Dinah

    Epithelial sheets form the lining of organ surfaces and body cavities, and it is now appreciated that these sheets are dynamic structures that can undergo significant reorganizing events, e.g. during wound healing or morphogenesis. One of the key morphogenetic mechanisms that is utilized during development is tissue elongation, which is driven by oriented cell intercalation. In the Drosophila embryonic epithelium, this occurs through the contraction of vertical T1 interfaces and the subsequent resolution of horizontal T3 interfaces (analogous to so-called T1 transitions in soap foams), where the symmetry breaking behaviors are created by a system of planar polarity of actomyosin and adhesion complexes within the cell layer. The dominant physical model for this process posits that the anisotropy of line tension directs T1 contraction. However, this model is inconsistent with the in vivo observation that cell vertices of T1 interfaces lack physical coupling, and instead show independent movements. Thus, we propose that a more useful explanation of intercalary behaviors will be possible through a description of the radially-directed and adhesion-coupled force events that lead to vertex movements and produce subsequent dependent changes in interface lengths. This work is supported by NIH R15 GM117463-01 and by a Research Corporation for Science Advancement (RCSA) Cottrell Scholar Award.

  19. Fingerprint detection and using intercalated CdSe nanoparticles on non-porous surfaces

    International Nuclear Information System (INIS)

    Algarra, Manuel; Radotić, Ksenija; Kalauzi, Aleksandar; Mutavdžić, Dragosav; Savić, Aleksandar; Jiménez-Jiménez, José; Rodríguez-Castellón, Enrique; Silva, Joaquim C.G. Esteves da; Guerrero-González, Juan José

    2014-01-01

    Graphical abstract: -- Highlights: •Fluorescent nanocomposite based on the inclusion of CdSe quantum dots in porous phosphate heterostructures. •Characterized by FTIR, XRD and fluorescence spectroscopies. •Deconvolution of the emission spectra was confirmed by using multivariate curve resolution (MCR) method. •Application for fingerprint detection and analysis on different non-porous surfaces. -- Abstract: A fluorescent nanocomposite based on the inclusion of CdSe quantum dots in porous phosphate heterostructures, functionalized with amino groups (PPH-NH 2 @CdSe), was synthesized, characterized and used for fingerprint detection. The main scopes of this work were first to develop a friendly chemical powder for detecting latent fingerprints, especially in non-porous surfaces; their further intercalation in PPH structure enables not to spread the fluorescent nanoparticles, for that reason very good fluorescent images can be obtained. The fingerprints, obtained on different non-porous surfaces such as iron tweezers, mobile telephone screen and magnetic band of a credit card, treated with this powder emit a pale orange luminescence under ultraviolet excitation. A further image processing consists of contrast enhancement that allows obtaining positive matches according to the information supplied from a police database, and showed to be more effective than that obtained with the non-processed images. Experimental results illustrate the effectiveness of proposed methods

  20. Atomically precise semiconductor--graphene and hBN interfaces by Ge intercalation.

    Science.gov (United States)

    Verbitskiy, N I; Fedorov, A V; Profeta, G; Stroppa, A; Petaccia, L; Senkovskiy, B; Nefedov, A; Wöll, C; Usachov, D Yu; Vyalikh, D V; Yashina, L V; Eliseev, A A; Pichler, T; Grüneis, A

    2015-12-07

    The full exploration of the potential, which graphene offers to nanoelectronics requires its integration into semiconductor technology. So far the real-world applications are limited by the ability to concomitantly achieve large single-crystalline domains on dielectrics and semiconductors and to tailor the interfaces between them. Here we show a new direct bottom-up method for the fabrication of high-quality atomically precise interfaces between 2D materials, like graphene and hexagonal boron nitride (hBN), and classical semiconductor via Ge intercalation. Using angle-resolved photoemission spectroscopy and complementary DFT modelling we observed for the first time that epitaxially grown graphene with the Ge monolayer underneath demonstrates Dirac Fermions unaffected by the substrate as well as an unperturbed electronic band structure of hBN. This approach provides the intrinsic relativistic 2D electron gas towards integration in semiconductor technology. Hence, these new interfaces are a promising path for the integration of graphene and hBN into state-of-the-art semiconductor technology.