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Sample records for titanium diselenide intercalated

  1. 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...

  2. Growth of silicon on tungsten diselenide

    NARCIS (Netherlands)

    Yao, Qirong; van Bremen, Rik; Zandvliet, Henricus J.W.

    2016-01-01

    Here, we report a scanning tunneling microscopy and spectroscopy study of the growth of silicon on a tungsten diselenide (WSe2) substrate. We have found convincing experimental evidence that silicon does not remain on the WSe2 substrate but rather intercalates between the top layers of WSe2. Upon

  3. 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

  4. Dynamic combinatorial chemistry with diselenides and disulfides in water

    DEFF Research Database (Denmark)

    Rasmussen, Brian; Sørensen, Anne; Gotfredsen, Henrik

    2014-01-01

    Diselenide exchange is introduced as a reversible reaction in dynamic combinatorial chemistry in water. At neutral pH, diselenides are found to mix with disulfides and form dynamic combinatorial libraries of diselenides, disulfides, and selenenylsulfides. This journal is...

  5. Titanium

    Science.gov (United States)

    Woodruff, Laurel G.; Bedinger, George M.; Piatak, Nadine M.; Schulz, Klaus J.; DeYoung,, John H.; Seal, Robert R.; Bradley, Dwight C.

    2017-12-19

    Titanium is a mineral commodity that is essential to the smooth functioning of modern industrial economies. Most of the titanium produced is refined into titanium dioxide, which has a high refractive index and is thus able to impart a durable white color to paint, paper, plastic, rubber, and wallboard. Because of their high strength-to-weight ratio and corrosion resistance, titanium metal and titanium metal alloys are used in the aerospace industry as well as for welding rod coatings, biological implants, and consumer goods.Ilmenite and rutile are currently the principal titanium-bearing ore minerals, although other minerals, including anatase, perovskite, and titanomagnetite, could have economic importance in the future. Ilmenite is currently being mined from two large magmatic deposits hosted in rocks of Proterozoic-age anorthosite plutonic suites. Most rutile and nearly one-half of the ilmenite produced are from heavy-mineral alluvial, fluvial, and eolian deposits. Titanium-bearing minerals occur in diverse geologic settings, but many of the known deposits are currently subeconomic for titanium because of complications related to the mineralogy or because of the presence of trace contaminants that can compromise the pigment production process.Global production of titanium minerals is currently dominated by Australia, Canada, Norway, and South Africa; additional amounts are produced in Brazil, India, Madagascar, Mozambique, Sierra Leone, and Sri Lanka. The United States accounts for about 4 percent of the total world production of titanium minerals and is heavily dependent on imports of titanium mineral concentrates to meet its domestic needs.Titanium occurs only in silicate or oxide minerals and never in sulfide minerals. Environmental considerations for titanium mining are related to waste rock disposal and the impact of trace constituents on water quality. Because titanium is generally inert in the environment, human health risks from titanium and titanium

  6. Synthesis and biodistribution of 75Se-dinonyl-diselenide

    International Nuclear Information System (INIS)

    Liu, Y.F.; Qian, H.Q.; Zhang, Q.X.; Wang, X.Y.; Sun, J.G.; Li, B.Z.; Zhang, W.J.

    1985-01-01

    Selenium-75-labelled dinonyl-diselenide, C 9 H 19 75 SeSeC 9 H 19 , was synthesized and identified. It was injected into white rats in order to observe the selenium distribution in the tissues using inorganic 75 SeO 2 as the control agent. The sequence order of the 75 Se-dinonyl-diselenide uptake by tissues was: pancreas, muscles, stomach, liver, kidneys, spleen, blood, lungs, heart, brain, eyes. A very high accumulation of 75 Se-dinonyl-diselenide in the pancreas was observed, similar to that of the pancreatic imaging agent 75 Se-methionine. Furthermore, the enzymatic activity of glutathione peroxidase in the case of organic diselenide injection was higher than that measured for selenite. Selenium of dinonyl-diselenide was more effective and retainable in the process of converting itself to selenium-containing enzyme via the metabolic reactions. It may be advisable to replace inorganic sodium selenite by organic selenium compounds. Sodium selenite has been widely used in the prevention of the Keshan disease in China. (author)

  7. Reaction of bis[(2-chlorocarbonylphenyl] Diselenide with Phenols, Aminophenols, and Other Amines towards Diphenyl Diselenides with Antimicrobial and Antiviral Properties

    Directory of Open Access Journals (Sweden)

    Mirosław Giurg

    2017-06-01

    Full Text Available A reaction of bis[(2-chlorocarbonylphenyl] diselenide with various mono and bisnucleophiles such as aminophenols, phenols, and amines have been studied as a convenient general route to a series of new antimicrobial and antiviral diphenyl diselenides. The compounds, particularly bis[2-(hydroxyphenylcarbamoyl]phenyl diselenides and reference benzisoselenazol-3(2H-ones, exhibited high antimicrobial activity against Gram-positive bacterial species (Enterococcus spp., Staphylococcus spp., and some compounds were also active against Gram-negative E. coli and fungi (Candida spp., A. niger. The majority of compounds demonstrated high activity against human herpes virus type 1 (HHV-1 and moderate activity against encephalomyocarditis virus (EMCV, while they were generally inactive against vesicular stomatitis virus (VSV.

  8. 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.

  9. Derived reference doses for three compounds used in the photovoltaics industry: Copper indium diselenide, copper gallium diselenide, and cadmium telluride

    Energy Technology Data Exchange (ETDEWEB)

    Moskowitz, P.D.; Bernholc, N.; DePhillips, M.P.; Viren, J.

    1995-07-06

    Polycrystalline thin-film photovoltaic modules made from copper indium diselenide (CIS), copper gallium diselenide (CGS), and cadmium telluride (CdTe) arc nearing commercial development. A wide range of issues are being examined as these materials move from the laboratory to large-scale production facilities to ensure their commercial success. Issues of traditional interest include module efficiency, stability and cost. More recently, there is increased focus given to environmental, health and safety issues surrounding the commercialization of these same devices. An examination of the toxicological properties of these materials, and their chemical parents is fundamental to this discussion. Chemicals that can present large hazards to human health or the environment are regulated often more strictly than those that are less hazardous. Stricter control over how these materials are handled and disposed can increase the costs associated with the production and use of these modules dramatically. Similarly, public perception can be strongly influenced by the inherent biological hazard that these materials possess. Thus, this report: presents a brief background tutorial on how toxicological data are developed and used; overviews the toxicological data available for CIS, CGS and CdTe; develops ``reference doses`` for each of these compounds; compares the reference doses for these compounds with those of their parents; discusses the implications of these findings to photovoltaics industry.

  10. Reaction of bis[(2-chlorocarbonyl)phenyl] Diselenide with Phenols, Aminophenols, and Other Amines towards Diphenyl Diselenides with Antimicrobial and Antiviral Properties.

    Science.gov (United States)

    Giurg, Mirosław; Gołąb, Anna; Suchodolski, Jakub; Kaleta, Rafał; Krasowska, Anna; Piasecki, Egbert; Piętka-Ottlik, Magdalena

    2017-06-12

    A reaction of bis[(2-chlorocarbonyl)phenyl] diselenide with various mono and bisnucleophiles such as aminophenols, phenols, and amines have been studied as a convenient general route to a series of new antimicrobial and antiviral diphenyl diselenides. The compounds, particularly bis[2-(hydroxyphenylcarbamoyl)]phenyl diselenides and reference benzisoselenazol-3(2 H )-ones, exhibited high antimicrobial activity against Gram-positive bacterial species ( Enterococcus spp., Staphylococcus spp.), and some compounds were also active against Gram-negative E. coli and fungi ( Candida spp., A. niger ). The majority of compounds demonstrated high activity against human herpes virus type 1 (HHV-1) and moderate activity against encephalomyocarditis virus (EMCV), while they were generally inactive against vesicular stomatitis virus (VSV).

  11. Neutron Imaging with Timepix Coupled Lithium Indium Diselenide

    Directory of Open Access Journals (Sweden)

    Elan Herrera

    2017-12-01

    Full Text Available The material lithium indium diselenide, a single crystal neutron sensitive semiconductor, has demonstrated its capabilities as a high resolution imaging device. The sensor was prepared with a 55 μ m pitch array of gold contacts, designed to couple with the Timepix imaging ASIC. The resulting device was tested at the High Flux Isotope Reactor, demonstrating a response to cold neutrons when enriched in 95% 6 Li. The imaging system performed a series of experiments resulting in a <200 μ m resolution limit with the Paul Scherrer Institute (PSI Siemens star mask and a feature resolution of 34 μ m with a knife-edge test. Furthermore, the system was able to resolve the University of Tennessee logo inscribed into a 3D printed 1 cm 3 plastic block. This technology marks the application of high resolution neutron imaging using a direct readout semiconductor.

  12. Dynamic Combinatorial Chemistry with Diselenides, Disulfides, Imines and Metal Coordination

    DEFF Research Database (Denmark)

    Sørensen, Anne

    The design and preparation of strong and selective artificial receptors, especially biomi-metic receptors that function in aqueous solution, has proved truly challenging. In this thesis it will be described how the strengths of dynamic combinatorial chemistry can be used to great advantage...... in this field. The aim of this project has therefore been to develop new ways of using dynamic combinatorial libraries for molecular recognition in aqueous media. The focus has been on using what has been learned from the well-established di-sulfide exchange chemistry to incorporate a new reaction into dynamic...... experimentally and theoretically and found to be unique in organoselenium chemistry by proceeding through a four-membered cyclic transition state following first-order kinetics. Subsequently, this thesis illustrates how an aliphatic diselenide could be used to catalyse the formation of a disulfide based dynamic...

  13. Synthesis of Tungsten Diselenide Nanoparticles by Chemical Vapor Condensation Method

    Directory of Open Access Journals (Sweden)

    Oleg V. Tolochko

    2015-09-01

    Full Text Available Crystalline tungsten diselenide (WSe2 nanoparticles have been synthesized by a gas phase reaction using tungsten hexacarbonyl and elemental selenium as precursors. The WSe2 nanoparticle morphology varies from the spherical shape to flake-like layered structures. Mean size in smaller dimension are less than 5 nm and the number of layers decreased linearly with decreasing of reaction time and concentration of carbonyl in the gas phase. The mean value of interlayer distance in <0001> direction is comparable with the microscopic values. The selenium-to-tungsten atomic ratios of 2.07, 2.19 and 2.19 were determined respectively, approach to the stoichiometric ratio of 2:1. Main impurities are oxygen and carbon and strongly interrelated with carbonyl concentration in the gas phase.DOI: http://dx.doi.org/10.5755/j01.ms.21.3.7356

  14. 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.

  15. Diphenyl diselenide improves scopolamine-induced memory impairment in mice.

    Science.gov (United States)

    Souza, Ana Cristina G; Brüning, César Augusto; Leite, Marlon Régis; Zeni, Gilson; Nogueira, Cristina Wayne

    2010-09-01

    This study was conducted to evaluate the effects of exposure to diphenyl diselenide (PhSe)2 on cognitive impairment induced by scopolamine, a muscarinic antagonist, using the Y-maze and Morris water maze tests in mice. One hour before the tests, mice were treated with (PhSe)2 (50 mg/kg, oral) and 30 min later memory impairment was induced by administration of scopolamine (1 mg/kg, intraperitoneal). (PhSe)2 (50 mg/kg, oral) significantly improved scopolamine-induced memory impairment in the Y-maze test. At the probe trial session in Morris water maze, (PhSe)2 (50 mg/kg, oral) significantly decreased the escape latency, increased the number of crossings in the platform local, and increased the time spent in the platform quadrant when compared with the scopolamine-treated group. General locomotor activity was similar in all groups. This study showed that (PhSe)2 ameliorated the impairments of spatial long-term memory and short-term memory, showed by the performance of mice in the Morris water maze and Y-maze tasks, respectively. These results suggest that (PhSe)2 may be useful for the treatment of cognitive impairment that may hold significant therapeutic value in alleviating certain memory deficits observed in Alzheimer's disease.

  16. Pharmacology and toxicology of diphenyl diselenide in several biological models

    Directory of Open Access Journals (Sweden)

    R.M. Rosa

    2007-10-01

    Full Text Available The pharmacology of synthetic organoselenium compounds indicates that they can be used as antioxidants, enzyme inhibitors, neuroprotectors, anti-tumor and anti-infectious agents, and immunomodulators. In this review, we focus on the effects of diphenyl diselenide (DPDS in various biological model organisms. DPDS possesses antioxidant activity, confirmed in several in vitro and in vivo systems, and thus has a protective effect against hepatic, renal and gastric injuries, in addition to its neuroprotective activity. The activity of the compound on the central nervous system has been studied since DPDS has lipophilic characteristics, increasing adenylyl cyclase activity and inhibiting glutamate and MK-801 binding to rat synaptic membranes. Systemic administration facilitates the formation of long-term object recognition memory in mice and has a protective effect against brain ischemia and on reserpine-induced orofacial dyskinesia in rats. On the other hand, DPDS may be toxic, mainly because of its interaction with thiol groups. In the yeast Saccharomyces cerevisiae, the molecule acts as a pro-oxidant by depleting free glutathione. Administration to mice during cadmium intoxication has the opposite effect, reducing oxidative stress in various tissues. DPDS is a potent inhibitor of d-aminolevulinate dehydratase and chronic exposure to high doses of this compound has central effects on mouse brain, as well as liver and renal toxicity. Genotoxicity of this compound has been assessed in bacteria, haploid and diploid yeast and in a tumor cell line.

  17. Atmospheric pressure chemical vapour deposition of vanadium diselenide thin films

    Science.gov (United States)

    Boscher, Nicolas D.; Blackman, Christopher S.; Carmalt, Claire J.; Parkin, Ivan P.; Prieto, A. Garcia

    2007-05-01

    Atmospheric pressure chemical vapour deposition (APCVD) of vanadium diselenide thin films on glass substrates was achieved by reaction of [V(NMe 2) 4] and tBu 2Se. X-ray diffraction showed that the VSe 2 films were crystalline with preferential growth either along the (1 0 1) or the (1 1 0) direction. Energy-dispersive analysis by X-rays (EDAX) gave a V:Se ratio close to 1:2 for all films. The films were matt black in appearance, were adhesive, passed the Scotch tape test but could be scratched with a steel scalpel. SEM showed that the films were composed of plate-like crystallites orientated parallel to the substrate which become longer and thicker with increasing deposition temperature. Attempts to produce vanadium selenide films were also performed using tBu 2Se and two different vanadium precursors: VCl 4 and VOCl 3. Both were found to be unsuitable for producing VSe 2 from the APCVD reaction with tBu 2Se. The VSe 2 showed charge density wave transition at 110-115 K.

  18. Effects of diphenyl and p-chloro-diphenyl diselenides on feeding behavior of rats.

    Science.gov (United States)

    Bortolatto, Cristiani F; Heck, Suélen O; Gai, Bibiana M; Zborowski, Vanessa A; Neto, José S S; Nogueira, Cristina W

    2015-07-01

    The searching for safe and effective antiobesity drugs has been the subject of intense research. Previous studies have shown several pharmacological applications of organoselenium compounds; however, their possible anorectic-like actions have not been investigated. This study aims to investigate the effects of (PhSe)2 and (p-ClPhSe)2 on feeding behavior of rats and their potential as weight-reducing agents. The effects of intraperitoneal administration of diselenides were investigated through the microstructural pattern of feeding behavior, behavioral satiety sequence (BSS), hypothalamic serotonin (5-HT) uptake, body weight, and epididymal fat content of male rats. Our findings demonstrated that food intake of fasted rats was reduced by both diselenides (1 and 10 mg/kg). Diphenyl diselenide [(PhSe)2] (1 mg/kg) and p-chloro-diphenyl diselenide [(p-ClPhSe)2] (10 mg/kg) decreased the frequency, mean duration, and mean size of meals compared with the control treatment. The BSS structure was preserved when organoselenium compounds (1 mg/kg) were administered, and it was associated to a displacement to the left when the resting period started indicating a satiating action. Inhibition of 5-HT uptake in the hypothalamus (∼20 %) was also found in rats treated with low doses of (PhSe)2 and (p-ClPhSe)2 (1 mg/kg). Treatments with a high dose of both diselenides (10 mg/kg) carried out for 7 days induced weight loss and epididymal fat reduction in sated rats. This study suggests that diselenides caused a satiating action in rats that could be partially explained by the inhibition of hypothalamic 5-HT uptake. These organoselenium compounds were potential weight-reducing agents when repeatedly administered.

  19. Effects of Diphenyl Diselenide on Methylmercury Toxicity in Rats

    Directory of Open Access Journals (Sweden)

    Cristiane L. Dalla Corte

    2013-01-01

    Full Text Available This study investigates the efficacy of diphenyl diselenide [(PhSe2] in attenuating methylmercury- (MeHg-induced toxicity in rats. Adult rats were treated with MeHg [5 mg/kg/day, intragastrically (i.g.] and/ or (PhSe2 [1 mg/kg/day, intraperitoneally (i.p.] for 21 days. Body weight gain and motor deficits were evaluated prior to treatment, on treatment days 11 and 21. In addition, hepatic and cerebral mitochondrial function (reactive oxygen species (ROS formation, total and nonprotein thiol levels, membrane potential (ΔΨm, metabolic function, and swelling, hepatic, cerebral, and muscular mercury levels, and hepatic, cerebral, and renal thioredoxin reductase (TrxR activity were evaluated. MeHg caused hepatic and cerebral mitochondrial dysfunction and inhibited TrxR activity in liver (38,9%, brain (64,3%, and kidney (73,8%. Cotreatment with (PhSe2 protected hepatic and cerebral mitochondrial thiols from depletion by MeHg but failed to completely reverse MeHg’s effect on hepatic and cerebral mitochondrial dysfunction or hepatic, cerebral, and renal inhibition of TrxR activity. Additionally, the cotreatment with (PhSe2 increased Hg accumulation in the liver (50,5% and brain (49,4% and increased the MeHg-induced motor deficits and body-weight loss. In conclusion, these results indicate that (PhSe2 can increase Hg body burden as well as the neurotoxic effects induced by MeHg exposure in rats.

  20. Titanium ; dream new material

    International Nuclear Information System (INIS)

    Lee, Yong Tae; Kim Seung Eon; Heoon, Yong Taek; Jung, Hui Won

    2001-11-01

    The contents of this book are history of Titanium, present situation of Titanium industry, property of Titanium alloy, types of it, development of new alloy of Titanium smelting of Titanium, cast of Titanium and heat treatment of Titanium, Titanium alloy for plane, car parts, biological health care, and sport leisure and daily life, prospect, and Titanium industrial development of Titanium in China.

  1. 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.

  2. Diglycosyl diselenides alter redox homeostasis and glucose consumption of infective African trypanosomes

    Directory of Open Access Journals (Sweden)

    Jaime Franco

    2017-12-01

    Full Text Available With the aim to develop compounds able to target multiple metabolic pathways and, thus, to lower the chances of drug resistance, we investigated the anti-trypanosomal activity and selectivity of a series of symmetric diglycosyl diselenides and disulfides. Of 18 compounds tested the fully acetylated forms of di-β-D-glucopyranosyl and di-β-D-galactopyranosyl diselenides (13 and 15, respectively displayed strong growth inhibition against the bloodstream stage of African trypanosomes (EC50 0.54 μM for 13 and 1.49 μM for 15 although with rather low selectivity (SI < 10 assayed with murine macrophages. Nonacetylated versions of the same sugar diselenides proved to be, however, much less efficient or completely inactive to suppress trypanosome growth. Significantly, the galactosyl (15, and to a minor extent the glucosyl (13, derivative inhibited glucose catabolism but not its uptake. Both compounds induced redox unbalance in the pathogen. In vitro NMR analysis indicated that diglycosyl diselenides react with glutathione, under physiological conditions, via formation of selenenylsulfide bonds. Our results suggest that non-specific cellular targets as well as actors of the glucose and the redox metabolism of the parasite may be affected. These molecules are therefore promising leads for the development of novel multitarget antitrypanosomal agents. Keywords: Glutathione, Redox biosensor, Selenosugar, Trypanosome inhibition, Selenium NMR

  3. 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.

  4. 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

  5. Antifungal activities of diphenyl diselenide and ebselen alone and in combination with antifungal agents against Fusarium spp.

    Science.gov (United States)

    Venturini, Tarcieli Pozzebon; Chassot, Francieli; Loreto, Érico Silva; Keller, Jéssica Tairine; Azevedo, Maria Izabel; Zeni, Gilson; Santurio, Janio Morais; Alves, Sydney Hartz

    2016-07-01

    Herein, we describe the in vitro activity of a combination of the organoselenium compounds diphenyl diselenide and ebselen alone and in combination with amphotericin B, caspofungin, itraconazole, and voriconazole against 25 clinical isolates of Fusarium spp. For this analysis, we used the broth microdilution method based on the M38-A2 technique and checkerboard microdilution method. Diphenyl diselenide (MIC range = 4-32 μg/ml) and ebselen (MIC range = 2-8 μg/ml) showed in vitro activity against the isolates tested. The most effective combinations were (synergism rates): ebselen + amphotericin B (88%), ebselen + voriconazole (80%), diphenyl diselenide + amphotericin B (72%), and diphenyl diselenide + voriconazole (64%). Combination with caspofungin resulted in low rates of synergism: ebselen + caspofungin, 36%, and diphenyl diselenide + caspofungin, 28%; combination with itraconazole demonstrated indifferent interactions. Antagonistic effects were not observed for any of the combinations tested. Our findings suggest that the antifungal potential of diphenyl diselenide and ebselen deserves further investigation in in vivo experimental models, especially in combination with amphotericin B and voriconazole. © The Author 2016. Published by Oxford University Press on behalf of The International Society for Human and Animal Mycology. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  6. Titanium 2013

    Science.gov (United States)

    2014-01-01

    Titanium is the ninth most abundant element in the earth's crust and can be found in nearly all rocks and sediments. It is a lithophile element with a strong affinity for oxygen and is not found as a pure metal in nature. Titanium was first isolated as a pure metal in 1910, but it was not until 1948 that the metal was produced commercially using the Kroll process (named after its developer, William Kroll) to reduce titanium tetrachloride with magnesium to produce titanium metal.

  7. 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 ...

  8. 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

  9. 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.

  10. Waste reduction options for manufacturers of copper indium diselenide photovoltaic cells

    Energy Technology Data Exchange (ETDEWEB)

    DePhillips, M.P.; Fthenakis, V.M.; Moskowitz, P.D.

    1994-03-01

    This paper identifies general waste reduction concepts and specific waste reduction options to be used in the production of copper indium diselenide (CIS) photovoltaic cells. A general discussion of manufacturing processes used for the production of photovoltaic cells is followed by a description of the US Environmental Protection Agency (EPA) guidelines for waste reduction (i.e., waste minimization through pollution prevention). A more specific discussion of manufacturing CIS cells is accompanied by detailed suggestions regarding waste minimization options for both inputs and outputs for ten stages of this process. Waste reduction from inputs focuses on source reduction and process changes, and reduction from outputs focuses on material reuse and recycling.

  11. Highly efficient electrochemical hydrogen evolution based on nickel diselenide nanowall film

    Science.gov (United States)

    Tang, Chun; Xie, Lisi; Sun, Xuping; Asiri, Abdullah M.; He, Yuquan

    2016-05-01

    In this letter, we report on hydrothermal growth of nickel diselenide nanowall film on carbon cloth (NiSe2 NW/CC) through topotactic transformation from a Ni(OH)2 precursor based on anion exchange reactions. When tested as an integrated 3D hydrogen-evolving cathode in strongly acidic media, NiSe2 NW/CC exhibits outstanding catalytic activity superior to its powder counterpart and strong long-term durability. It displays 10 and 100 mA cm-2 at overpotentials of 145 and 183 mV, respectively, with its catalytic activity being retained for 40 h.

  12. Electrowinning molten titanium from titanium dioxide

    CSIR Research Space (South Africa)

    Van Vuuren, DS

    2005-10-01

    Full Text Available The value chain of titanium products shows that the difference between the cost of titanium ingot and titanium dioxide is about $9/kg titanium. In contrast, the price of aluminium, which is produced in a similar way, is only about $1.7/kg...

  13. Opioid system contribution to the antidepressant-like action of m-trifluoromethyl-diphenyl diselenide in mice: A compound devoid of tolerance and withdrawal syndrome.

    Science.gov (United States)

    Rosa, Suzan G; Pesarico, Ana P; Tagliapietra, Carolina F; da Luz, Sônia Ca; Nogueira, Cristina W

    2017-09-01

    Animal and clinical researches indicate that the opioid system exerts a crucial role in the etiology of mood disorders and is a target for intervention in depression treatment. This study investigated the contribution of the opioid system to the antidepressant-like action of acute or repeated m-trifluoromethyl-diphenyl diselenide administration to Swiss mice. m-Trifluoromethyl-diphenyl diselenide (50 mg/kg, intragastric) produced an antidepressant-like action in the forced swimming test from 30 min to 24 h after treatment. This effect was blocked by the µ and δ-opioid receptor antagonists, naloxonazine (10 mg/kg, intraperitoneally) and naltrindole (3 mg/kg, intraperitoneally), and it was potentiated by a κ-opioid receptor antagonist, norbinaltrophimine (1 mg/kg, subcutaneously ). Combined treatment with subeffective doses of m-trifluoromethyl-diphenyl diselenide (10 mg/kg, intragastric) and morphine (1 mg/kg, subcutaneously) resulted in a synergistic antidepressant-like effect. The opioid system contribution to the m-trifluoromethyl-diphenyl diselenide antidepressant-like action was also demonstrated in the modified tail suspension test, decreasing mouse immobility and swinging time and increasing curling time, results similar to those observed using morphine, a positive control. Treatment with m-trifluoromethyl-diphenyl diselenide induced neither tolerance to the antidepressant-like action nor physical signs of withdrawal, which could be associated with the fact that m-trifluoromethyl-diphenyl diselenide did not change the mouse cortical and hippocampal glutamate uptake and release. m-Trifluoromethyl-diphenyl diselenide treatments altered neither locomotor nor toxicological parameters in mice. These findings demonstrate that m-trifluoromethyl-diphenyl diselenide elicited an antidepressant-like action by direct or indirect μ and δ-opioid receptor activation and the κ-opioid receptor blockade, without inducing tolerance, physical signs of withdrawal and

  14. A convenient and stereoselective synthesis of (Z)-allyl selenides via Sm/TMSCl system-promoted coupling of Baylis-Hillman adducts with diselenides*

    Science.gov (United States)

    Liu, Yun-kui; Xu, Dan-qian; Xu, Zhen-yuan; Zhang, Yong-min

    2006-01-01

    A simple and convenient procedure for stereoselective synthesis of (Z)-allyl selenides has been developed by a one-pot reaction of diselenides with Baylis-Hillman adducts in the presence of samarium metal-trimethylsilyl chloride under mild conditions. Presumably, the diselenides are cleaved by Sm/TMSCl system to form selenide anions, which then undergo SN2′ substitution of Baylis-Hillman adducts to produce the (Z)-allyl selenides. PMID:16615170

  15. 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...

  16. Atomically thin heterostructures based on single-layer tungsten diselenide and graphene.

    Science.gov (United States)

    Lin, Yu-Chuan; Chang, Chih-Yuan S; Ghosh, Ram Krishna; Li, Jie; Zhu, Hui; Addou, Rafik; Diaconescu, Bogdan; Ohta, Taisuke; Peng, Xin; Lu, Ning; Kim, Moon J; Robinson, Jeremy T; Wallace, Robert M; Mayer, Theresa S; Datta, Suman; Li, Lain-Jong; Robinson, Joshua A

    2014-12-10

    Heterogeneous engineering of two-dimensional layered materials, including metallic graphene and semiconducting transition metal dichalcogenides, presents an exciting opportunity to produce highly tunable electronic and optoelectronic systems. In order to engineer pristine layers and their interfaces, epitaxial growth of such heterostructures is required. We report the direct growth of crystalline, monolayer tungsten diselenide (WSe2) on epitaxial graphene (EG) grown from silicon carbide. Raman spectroscopy, photoluminescence, and scanning tunneling microscopy confirm high-quality WSe2 monolayers, whereas transmission electron microscopy shows an atomically sharp interface, and low energy electron diffraction confirms near perfect orientation between WSe2 and EG. Vertical transport measurements across the WSe2/EG heterostructure provides evidence that an additional barrier to carrier transport beyond the expected WSe2/EG band offset exists due to the interlayer gap, which is supported by theoretical local density of states (LDOS) calculations using self-consistent density functional theory (DFT) and nonequilibrium Green's function (NEGF).

  17. Anisotropic growth mechanism of tungsten diselenide domains using chemical vapor deposition method

    Science.gov (United States)

    Lee, Yoobeen; Jeong, Heekyung; Park, Yi-Seul; Han, Seulki; Noh, Jaegeun; Lee, Jin Seok

    2018-02-01

    Anisotropic transition metal dichalcogenide (TMDC) domains have stimulated a growing interest mainly due to their electronic properties that depend on the size, shape, and edge structures of the domains. In this work, we investigated the anisotropic morphogenesis and edge terminations of tungsten diselenide (WSe2) domains grown on sapphire substrates by chemical vapor deposition (CVD) using tungsten oxide (WO3) and selenium (Se) powders as precursors. We varied the amount of Se powder and growth temperature during the CVD process, which in turn caused variations in the growth mechanism and kinetic energies of precursors. We succeeded in synthesizing hexagonal, square, circular, and triangular anisotropic WSe2 domains. They were characterized using scanning electron microscopy (SEM), Raman spectroscopy, photoluminescence (PL) analyses, and atomic force microscopy (AFM). Furthermore, we proposed the growth mechanism of anisotropic WSe2 domains with different edge terminations based on experimental observations through scanning tunneling microscope (STM).

  18. Atomically Thin Heterostructures Based on Single-Layer Tungsten Diselenide and Graphene

    KAUST Repository

    Lin, Yu-Chuan

    2014-11-10

    Heterogeneous engineering of two-dimensional layered materials, including metallic graphene and semiconducting transition metal dichalcogenides, presents an exciting opportunity to produce highly tunable electronic and optoelectronic systems. In order to engineer pristine layers and their interfaces, epitaxial growth of such heterostructures is required. We report the direct growth of crystalline, monolayer tungsten diselenide (WSe2) on epitaxial graphene (EG) grown from silicon carbide. Raman spectroscopy, photoluminescence, and scanning tunneling microscopy confirm high-quality WSe2 monolayers, whereas transmission electron microscopy shows an atomically sharp interface, and low energy electron diffraction confirms near perfect orientation between WSe2 and EG. Vertical transport measurements across the WSe2/EG heterostructure provides evidence that an additional barrier to carrier transport beyond the expected WSe2/EG band offset exists due to the interlayer gap, which is supported by theoretical local density of states (LDOS) calculations using self-consistent density functional theory (DFT) and nonequilibrium Green\\'s function (NEGF).

  19. Development of a reduction-sensitive diselenide-conjugated oligoethylenimine nanoparticulate system as a gene carrier

    Directory of Open Access Journals (Sweden)

    Cheng G

    2012-07-01

    Full Text Available Gang Cheng,1,2 Yiyan He,1 Li Xie,1 Yu Nie,1 Bin He,1 Zhirong Zhang,2 Zhongwei Gu11National Engineering Research Center for Biomaterials, 2Key Laboratory of Drug Targeting and Drug Delivery Systems, West China School of Pharmacy, Sichuan University, Chengdu, Sichuan, People's Republic of ChinaBackground: The reduction-sensitive cationic polymer is a promising nonviral carrier for gene delivery. Until now, disulfide bonds have been the only golden standard for its design. The aim of this research was to develop a novel reduction-responsive cationic polymer as a gene carrier.Methods: Polycationic carriers were synthesized by addition of branched oligoethylenimine 800 Da (OEI800 via an active ester containing diselenide bonds. Disulfide bonds cross-linked with OEI800-SSx and monoselenide bonds linked with OEI800-Sex were synthesized and compared. Their molecular weights and degradation properties were determined using gel permeation chromatography. Changes in particle size, morphology, and DNA binding were investigated by dynamic light scattering, transmission electron microscopy, and electrophoresis assay in a reduction environment. Cytotoxicity and transfection in vitro were evaluated in a murine melanoma cell line (B16F10 and a human cervical epithelial carcinoma cell line (HeLa, while intracellular degradation and dissociation with DNA were studied by confocal laser scanning microscopy with FITC-labeled OEI800 derivatives and Cy5-labeled DNA.Results: Diselenide-conjugated OEI800 (OEI800-Se Sex polymer carriers of high molecular weight were successfully synthesized. After compacting with DNA, the OEI800-SeSex polymers formed nanoparticles with an average size of 140 nm at an adequate C/P ratio. OEI800-Se Sex showed reduction-responsive degradation properties similar to those of the OEI800-SSx via gel permeation chromatography, dynamic light scattering, and transmission electron microscopy. OEI800-SeSex showed much lower cytotoxicity than PEI25k

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. Gap States at Low-Angle Grain Boundaries in Monolayer Tungsten Diselenide

    KAUST Repository

    Huang, Yu Li

    2016-05-03

    Two-dimensional (2D) transition metal dichalcogenides (TMDs) have revealed many novel properties of interest to future device applications. In particular, the presence of grain boundaries (GBs) can significantly influence the material properties of 2D TMDs. However, direct characterization of the electronic properties of the GB defects at the atomic scale remains extremely challenging. In this study, we employ scanning tunneling microscopy and spectroscopy to investigate the atomic and electronic structure of low-angle GBs of monolayer tungsten diselenide (WSe2) with misorientation angles of 3-6°. Butterfly features are observed along the GBs, with the periodicity depending on the misorientation angle. Density functional theory calculations show that these butterfly features correspond to gap states that arise in tetragonal dislocation cores and extend to distorted six-membered rings around the dislocation core. Understanding the nature of GB defects and their influence on transport and other device properties highlights the importance of defect engineering in future 2D device fabrication. © 2016 American Chemical Society.

  8. Differential genotoxicity of diphenyl diselenide (PhSe2 and diphenyl ditelluride (PhTe2

    Directory of Open Access Journals (Sweden)

    Daiane Francine Meinerz

    2014-03-01

    Full Text Available Organoselenium compounds have been pointed out as therapeutic agents. In contrast, the potential therapeutic aspects of tellurides have not yet been demonstrated. The present study evaluated the comparative toxicological effects of diphenyl diselenide (PhSe2 and diphenyl ditelluride (PhTe2 in mice after in vivo administration. Genotoxicity (as determined by comet assay and mutagenicicity were used as end-points of toxicity. Subcutaneous administration of high doses of (PhSe2 or (PhTe2 (500 µmol/kg caused distinct genotoxicity in mice. (PhSe2 significantly decreased the DNA damage index after 48 and 96 h of its injection (p < 0.05. In contrast, (PhTe caused a significant increase in DNA damage (p < 0.05 after 48 and 96 h of intoxication. (PhSe2 did not cause mutagenicity but (PhTe2 increased the micronuclei frequency, indicating its mutagenic potential. The present study demonstrated that acute in vivo exposure to ditelluride caused genotoxicity in mice, which may be associated with pro-oxidant effects of diphenyl ditelluride. In addition, the use of this compound and possibly other related tellurides must be carefully controlled.

  9. Liquid-solid surface phase transformation of fluorinated fullerene on monolayer tungsten diselenide

    KAUST Repository

    Song, Zhibo

    2018-04-04

    Hybrid van der Waals heterostructures constructed by the integration of organic molecules and two-dimensional (2D) transition metal dichalcogenide (TMD) materials have useful tunable properties for flexible electronic devices. Due to the chemically inert and atomically smooth nature of the TMD surface, well-defined crystalline organic films form atomically sharp interfaces facilitating optimal device performance. Here, the surface phase transformation of the supramolecular packing structure of fluorinated fullerene (C60F48) on single-layer tungsten diselenide (WSe2) is revealed by low-temperature scanning tunneling microscopy, from thermally stable liquid to solid phases as the coverage increases. Statistical analysis of the intermolecular interaction potential reveals that the repulsive dipole-dipole interaction induced by interfacial charge transfer and substrate-mediated interactions play important roles in stabilizing the liquid C60F48 phases. Theoretical calculations further suggest that the dipole moment per C60F48 molecule varies with the surface molecule density, and the liquid-solid transformation could be understood from the perspective of the thermodynamic free energy for open systems. This study offers insights into the growth behavior at 2D organic/TMD hybrid heterointerfaces.

  10. Liquid-solid surface phase transformation of fluorinated fullerene on monolayer tungsten diselenide

    Science.gov (United States)

    Song, Zhibo; Wang, Qixing; Li, Ming-Yang; Li, Lain-Jong; Zheng, Yu Jie; Wang, Zhuo; Lin, Tingting; Chi, Dongzhi; Ding, Zijing; Huang, Yu Li; Thye Shen Wee, Andrew

    2018-04-01

    Hybrid van der Waals heterostructures constructed by the integration of organic molecules and two-dimensional (2D) transition metal dichalcogenide (TMD) materials have useful tunable properties for flexible electronic devices. Due to the chemically inert and atomically smooth nature of the TMD surface, well-defined crystalline organic films form atomically sharp interfaces facilitating optimal device performance. Here, the surface phase transformation of the supramolecular packing structure of fluorinated fullerene (C60F48 ) on single-layer tungsten diselenide (WSe2) is revealed by low-temperature scanning tunneling microscopy, from thermally stable liquid to solid phases as the coverage increases. Statistical analysis of the intermolecular interaction potential reveals that the repulsive dipole-dipole interaction induced by interfacial charge transfer and substrate-mediated interactions play important roles in stabilizing the liquid C60F48 phases. Theoretical calculations further suggest that the dipole moment per C60F48 molecule varies with the surface molecule density, and the liquid-solid transformation could be understood from the perspective of the thermodynamic free energy for open systems. This study offers insights into the growth behavior at 2D organic/TMD hybrid heterointerfaces.

  11. 2,2'-Dithienyl diselenide pro-oxidant activity accounts for antibacterial and antifungal activities.

    Science.gov (United States)

    Pesarico, Ana Paula; Sartori, Gláubia; dos Santos, Camilla F A; Neto, José S S; Bortolotto, Vandreza; Santos, Roberto Christ Vianna; Nogueira, Cristina W; Prigol, Marina

    2013-11-07

    The aim of this study was to explore if 2,2'-dithienyl diselenide (DTDS) pro-oxidant activity is related to its antibacterial and antifungal actions. The antimicrobial activity of DTDS against bacterial and fungal was investigated in the broth microdilution assay (3.02-387 μg/ml). Additionally, the survival curve of microorganisms in the presence of DTDS (12.09-193.5 μg/ml) was performed. The involvement of pro-oxidant activity in the DTDS antimicrobial action was investigated by supplementing the growth medium with 10 mM glutathione or ascorbic acid in the disk diffusion technique (0.64-640 μgDTDS/discs). The levels of reactive species (RS) induced by 25 mM DTDS were also determined. The results demonstrated that DTDS was effective in preventing the Gram-positive bacteria and Candida albicans growth. The minimum inhibitory concentration, twice and half concentrations of DTDS confirmed that the activity of compound was bactericidal for some microorganisms (Enterococcus faecalis, and Staphylococcus saprophyticus), bacteriostatic for Bacillus cereus and fungistatic for C. albicans. Antibacterial and antifungal actions of DTDS are related to the increase of reactive species levels. The presence of antioxidants in the growth medium avoided the DTDS antimicrobial action. In conclusion, DTDS showed promising antibacterial and antifungal actions, possibly related to its pro-oxidant activity. Crown Copyright © 2013. Published by Elsevier GmbH. All rights reserved.

  12. Copper-indium-gallium-diselenide nanoparticles synthesized by a solvothermal method for solar cell application

    Directory of Open Access Journals (Sweden)

    Chiou Chuan-Sheng

    2017-01-01

    Full Text Available Chalcopyrite copper-indium-gallium-diselenide (CIGS nanoparticles are useful for photovoltaic applications. In this study, the synthesis of CIGS powder was examined, and the powder was successfully synthesized using a relatively simple and convenient elemental solvothermal route. From the reactions of elemental Cu, In, Se and Ga(NO33 powders in an autoclave with ethylenediamine as a solvent, spherical CIGS nanoparticles, with diameters ranging from 20-40 nm, were obtained using a temperature of 200°C for 36h. The structure, morphology, chemical composition and optical properties of the as-synthesized CIGS were characterized using X-ray diffraction, transmission electron microscopy, selected area electron diffraction, scanning electron microscopy, inductively coupled plasma-mass spectrometry. In this sample, the mole ratio of Cu:In:Ga:Se was equal to 0.89:0.71:0.29:2.01, and the optical band gap was found to be 1.18 eV. The solar cell obtained a power conversion efficiency of 5.62% under standard air mass 1.5 global illumination.

  13. Environmental and health aspects of copper-indium-diselenide thin-film photovoltaic modules

    International Nuclear Information System (INIS)

    Steinberger, H.; Thumm, W.; Freitag, R.; Moskowitz, P.D.; Chapin, R.

    1994-01-01

    Copper-indium-diselenide (CIS) is a semiconductor compound that can be used to produce thin-film photovoltaic modules. There is on-going research being conducted by various federal agencies and private industries to demonstrate the commercial viability of this material. Because this is a new technology, and because scant information about the health and environmental hazards associated with the use of this material is available, studies have been initiated to characterize the environmental mobility and environmental toxicology of this compound. The objective of these studies is to identify the environmental and health hazards associated with the production, use, and disposal of CIS thin-film photovoltaic modules. The program includes both experimental and theoretical components. Theoretical studies are being undertaken to estimate material flows through the environment for a range of production options as well as use and disposal scenarios. The experimental programs characterize the physical, chemical e.g. leachability and biological parameters e.g. EC 50 in daphnia and algae, and feeding studies in rats

  14. Numerical Analysis of Copper-Indium-Gallium-Diselenide-Based Solar Cells by SCAPS-1D

    Directory of Open Access Journals (Sweden)

    S. Ouédraogo

    2013-01-01

    Full Text Available We used a one-dimensional simulation program Solar Cell Capacitance Simulator in 1 Dimension (SCAPS-1D to investigate Copper-Indium-Gallium-Diselenide- (CIGS- based solar cells properties. Starting with a conventional ZnO-B/i-ZnO/CdS/CIGS structure, we simulated the parameters of current-voltage characteristics and showed how the absorber layer thickness, hole density, and band gap influence the short-circuit current density (Jsc, open-circuit voltage (Voc, fill factor (FF, and efficiency of solar cell. Our simulation results showed that all electrical parameters are greatly affected by the absorber thickness (w below 1000 nm, due to the increase of back-contact recombination and very poor absorption. Increasing hole density (p or absorber band gap (Eg improves Voc and leads to high efficiency, which equals value of 16.1% when p = 1016 cm−3 and Eg=1.2 eV. In order to reduce back-contact recombination, the effect of a very thin layer with high band gap inserted near the back contact and acting as electrons reflector, the so-called back-electron reflector (EBR, has been investigated. The performances of the solar cells are significantly improved, when ultrathin absorbers (w < 500 nm are used; the corresponding gain of Jsc due to the EBR is 3 mA/cm2. Our results are in good agreement with those reported in the literature from experiments.

  15. Sodium enhances indium-gallium interdiffusion in copper indium gallium diselenide photovoltaic absorbers.

    Science.gov (United States)

    Colombara, Diego; Werner, Florian; Schwarz, Torsten; Cañero Infante, Ingrid; Fleming, Yves; Valle, Nathalie; Spindler, Conrad; Vacchieri, Erica; Rey, Germain; Guennou, Mael; Bouttemy, Muriel; Manjón, Alba Garzón; Peral Alonso, Inmaculada; Melchiorre, Michele; El Adib, Brahime; Gault, Baptiste; Raabe, Dierk; Dale, Phillip J; Siebentritt, Susanne

    2018-02-26

    Copper indium gallium diselenide-based technology provides the most efficient solar energy conversion among all thin-film photovoltaic devices. This is possible due to engineered gallium depth gradients and alkali extrinsic doping. Sodium is well known to impede interdiffusion of indium and gallium in polycrystalline Cu(In,Ga)Se 2 films, thus influencing the gallium depth distribution. Here, however, sodium is shown to have the opposite effect in monocrystalline gallium-free CuInSe 2 grown on GaAs substrates. Gallium in-diffusion from the substrates is enhanced when sodium is incorporated into the film, leading to Cu(In,Ga)Se 2 and Cu(In,Ga) 3 Se 5 phase formation. These results show that sodium does not decrease per se indium and gallium interdiffusion. Instead, it is suggested that sodium promotes indium and gallium intragrain diffusion, while it hinders intergrain diffusion by segregating at grain boundaries. The deeper understanding of dopant-mediated atomic diffusion mechanisms should lead to more effective chemical and electrical passivation strategies, and more efficient solar cells.

  16. Ferromagnetism in CVT grown tungsten diselenide single crystals with nickel doping

    Science.gov (United States)

    Habib, Muhammad; Muhammad, Zahir; Khan, Rashid; Wu, Chuanqiang; Rehman, Zia ur; Zhou, Yu; Liu, Hengjie; Song, Li

    2018-03-01

    Two dimensional (2D) single crystal layered transition materials have had extensive consideration owing to their interesting magnetic properties, originating from their lattices and strong spin-orbit coupling, which make them of vital importance for spintronic applications. Herein, we present synthesis of a highly crystalline tungsten diselenide layered single crystal grown by chemical vapor transport technique and doped with nickel (Ni) to tailor its magnetic properties. The pristine WSe2 single crystal and Ni-doped crystal were characterized and analyzed for magnetic properties using both experimental and computational aspects. It was found that the magnetic behavior of the 2D layered WSe2 crystal changed from diamagnetic to ferromagnetic after Ni-doping at all tested temperatures. Moreover, first principle density functional theory (DFT) calculations further confirmed the origin of room temperature ferromagnetism of Ni-doped WSe2, where the d-orbitals of the doped Ni atom promoted the spin moment and thus largely contributed to the magnetism change in the 2D layered material.

  17. Selectively Plasmon-Enhanced Second-Harmonic Generation from Monolayer Tungsten Diselenide on Flexible Substrates

    KAUST Repository

    Wang, Zhuo

    2018-01-04

    Monolayer two-dimensional transition metal dichalcogenides (2D TMDCs) exhibit promising characteristics in miniaturized nonlinear optical frequency converters, due to their inversion asymmetry and large second-order nonlinear susceptibility. However, these materials usually have a very short light interaction lengths with the pump laser because they are atomically thin, such that second-harmonic generation (SHG) is generally inefficient. In this paper, we fabricate a judiciously structured 150-nm-thick planar surface consisting of monolayer tungsten diselenide and sub-20-nm-wide gold trenches on flexible substrates, reporting ~7000-fold SHG enhancement without peak broadening or background in the spectra as compared to WSe2 on as-grown sapphire substrates. Our proof-of-concept experiment yields effective second-order nonlinear susceptibility of 2.1 × 104 pm/V. Three orders of magnitude enhancement is maintained with pump wavelength ranging from 800 nm to 900 nm, breaking the limitation of narrow pump wavelength range for cavity-enhanced SHG. In addition, SHG amplitude can be dynamically controlled via selective excitation of the lateral gap plasmon by rotating the laser polarization. Such fully open, flat and ultrathin profile enables a great variety of functional samples with high SHG from one patterned silicon substrate, favoring scalable production of nonlinear converters. The surface accessibility also enables integration with other optical components for information processing in an ultrathin and flexible form.

  18. 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.

  19. 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

  20. Acidity characterization of a titanium and sulfate modified vermiculite

    International Nuclear Information System (INIS)

    Hernandez, W.Y.; Centeno, M.A.; Odriozola, J.A.; Moreno, S.; Molina, R.

    2008-01-01

    A natural vermiculite has been modified with titanium and sulfated by the intercalation and impregnation method in order to optimize the acidity of the clay mineral, and characterization of samples were analyzed by X-ray fluorescence (XRF), X-ray diffraction (XRD), nitrogen adsorption isotherms, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and temperature programmed desorption with ammonia (TPD-NH 3 ). All the modified solids have a significantly higher number of acidic sites with respect to the parent material and in all of these, Broensted as well as Lewis acidity are identified. The presence of sulfate appears not to increase the number of acidic centers in the modified clay. For the materials sulfated with the intercalation method, it is observed that the strength of the acidic sites found in the material increases with the nominal sulfate/metal ratio. Nevertheless, when elevated quantities of sulfur are deposited, diffusion problems in the heptane reaction appear

  1. Titanium hermetic seals

    Science.gov (United States)

    Brow, Richard K.; Watkins, Randall D.

    1995-01-01

    Titanium is prenitrided by being heated in a nitrogen environment under conditions which give rise to the formation of a titanium-nitride surface layer on the titanium. Titanium thus prenitrided may be used in electrical components which are hermetically sealed using silicate glasses and standard glass sealing techniques. According to the method of the invention, alkali volatilization and formation of deleterious interfacial silicide are inhibited.

  2. Titanium and titanium alloys: fundamentals and applications

    National Research Council Canada - National Science Library

    Leyens, C; Peters, M

    2003-01-01

    ... number of titanium alloys have paved the way for light metals to vastly expand into many industrial applications. Titanium and its alloys stand out primarily due to their high specific strength and excellent corrosion resistance, at just half the weight of steels and Ni-based superalloys. This explains their early success in the aerospace and the...

  3. 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.

  4. 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.

  5. 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

  6. 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 ...

  7. 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 ...

  8. 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 ...

  9. 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

  10. 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 ...

  11. 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).

  12. Caffeine and diphenyl diselenide improve long-term memory impaired in middle-aged rats.

    Science.gov (United States)

    Leite, Marlon R; Marcondes Sari, Marcel Henrique; de Freitas, Mayara L; Oliveira, Lia P; Dalmolin, Laíza; Brandão, Ricardo; Zeni, Gilson

    2014-05-01

    The aim of the present study was to evaluate the effects of diphenyl diselenide (PhSe)2 supplemented diet (10ppm) associated to the administration of caffeine (15mg/kg; i.g.) for 30days on the novel object recognition memory in middle-aged rats. The present findings showed that (PhSe)2-supplemented diet enhanced short-term memory, but not long-term memory, of middle-aged rats in the novel object recognition task. The (PhSe)2 supplemented diet associated with caffeine administration improved long-term memory, but did not alter short-term memory, impaired in middle-aged rats. Daily caffeine administration to middle-aged rats had no effect on the memory tasks. Diet supplemented with (PhSe)2 plus caffeine administration increased the number of crossings and rearings reduced in middle-aged rats. Caffeine administration plus (PhSe)2 diets were effective in increasing the number of rearings and crossings, respectively, in middle-aged rats, [(3)H] glutamate uptake was reduced in hippocampal slices of rats from (PhSe)2 and caffeine plus (PhSe)2 groups. In addition, animals supplemented with (PhSe)2 showed an increase in the pCREB/CREB ratio whereas pAkt/Akt ratio was not modified. These results suggest that the effects of (PhSe)2 on the short-term memory may be related to its ability to decrease the uptake of glutamate, influencing the increase of CREB phosphorylation. (PhSe)2-supplemented diet associated to the administration of caffeine improved long-term memory impaired in middle-aged rats, an effect independent of CREB and Akt phosphorylation. Copyright © 2014 Elsevier Inc. All rights reserved.

  13. New therapeutic approach: diphenyl diselenide reduces mitochondrial dysfunction in acetaminophen-induced acute liver failure.

    Directory of Open Access Journals (Sweden)

    Nélson R Carvalho

    Full Text Available The acute liver failure (ALF induced by acetaminophen (APAP is closely related to oxidative damage and depletion of hepatic glutathione, consequently changes in cell energy metabolism and mitochondrial dysfunction have been observed after APAP overdose. Diphenyl diselenide [(PhSe2], a simple organoselenium compound with antioxidant properties, previously demonstrated to confer hepatoprotection. However, little is known about the protective mechanism on mitochondria. The main objective of this study was to investigate the effects (PhSe2 to reduce mitochondrial dysfunction and, secondly, compare in the liver homogenate the hepatoprotective effects of the (PhSe2 to the N-acetylcysteine (NAC during APAP-induced ALF to validate our model. Mice were injected intraperitoneal with APAP (600 mg/kg, (PhSe2 (15.6 mg/kg, NAC (1200 mg/kg, APAP+(PhSe2 or APAP+NAC, where the (PhSe2 or NAC treatment were given 1 h following APAP. The liver was collected 4 h after overdose. The plasma alanine and aspartate aminotransferase activities increased after APAP administration. APAP caused a remarkable increase of oxidative stress markers (lipid peroxidation, reactive species and protein carbonylation and decrease of the antioxidant defense in the liver homogenate and mitochondria. APAP caused a marked loss in the mitochondrial membrane potential, the mitochondrial ATPase activity, and the rate of mitochondrial oxygen consumption and increased the mitochondrial swelling. All these effects were significantly prevented by (PhSe2. The effectiveness of (PhSe2 was similar at a lower dose than NAC. In summary, (PhSe2 provided a significant improvement to the mitochondrial redox homeostasis and the mitochondrial bioenergetics dysfunction caused by membrane permeability transition in the hepatotoxicity APAP-induced.

  14. Stability of the tungsten diselenide and silicon carbide heterostructure against high energy proton exposure

    Science.gov (United States)

    Walker, Roger C.; Shi, Tan; Jariwala, Bhakti; Jovanovic, Igor; Robinson, Joshua A.

    2017-10-01

    Single layers of tungsten diselenide (WSe2) can be used to construct ultra-thin, high-performance electronics. Additionally, there has been considerable progress in controlled and direct growth of single layers on various substrates. Based on these results, high-quality WSe2-based devices that approach the limit of physical thickness are now possible. Such devices could be useful for space applications, but understanding how high-energy radiation impacts the properties of WSe2 and the WSe2/substrate interface has been lacking. In this work, we compare the stability against high energy proton radiation of WSe2 and silicon carbide (SiC) heterostructures generated by mechanical exfoliation of WSe2 flakes and by direct growth of WSe2 via metal-organic chemical vapor deposition (MOCVD). These two techniques produce WSe2/SiC heterostructures with distinct differences due to interface states generated during the MOCVD growth process. This difference carries over to differences in band alignment from interface states and the ultra-thin nature of the MOCVD-grown material. Both heterostructures are not susceptible to proton-induced charging up to a dose of 1016 protons/cm2, as measured via shifts in the binding energy of core shell electrons and a decrease in the valence band offset. Furthermore, the MOCVD-grown material is less affected by the proton exposure due to its ultra-thin nature and a greater interaction with the substrate. These combined effects show that the directly grown material is suitable for multi-year use in space, provided that high quality devices can be fabricated from it.

  15. Structural, electrical, and optical properties of copper indium diselenide thin film prepared by thermal evaporation method

    Energy Technology Data Exchange (ETDEWEB)

    Shah, N.M.; Ray, J.R.; Patel, K.J.; Kheraj, V.A.; Desai, M.S. [Applied Physics Department, Faculty of Technology and Engineering, M. S. University of Baroda, Vadodara-390001, Gujarat (India); Panchal, C.J., E-mail: cjpanchal_msu@yahoo.co [Applied Physics Department, Faculty of Technology and Engineering, M. S. University of Baroda, Vadodara-390001, Gujarat (India); Rehani, Bharti [Metallurgical Engineering Department, Faculty of Technology and Engineering, M. S. University of Baroda, Vadodara-390001, Gujarat (India)

    2009-05-01

    Stoichiometric compound of copper indium diselenide (CuInSe{sub 2}) was synthesized by direct reaction of high-purity elemental copper, indium and selenium in an evacuated quartz ampoule. The phase structure and composition of the synthesized pulverized material analyzed by X-ray diffraction (XRD) and energy dispersive analysis of X-rays (EDAX) revealed the chalcopyrite structure and stoichiometry of elements. Thin films of CuInSe{sub 2} were deposited onto organically cleaned soda lime glass substrates held at different temperatures (i.e. 300 K to 573 K) using thermal evaporation technique. CuInSe{sub 2} thin films were then thermally annealed in a vacuum chamber at 573 K at a base pressure of 10{sup -2} mbar for 1 h. The effect of substrate temperature (T{sub s}) and thermal annealing (T{sub a}) on structural, compositional, morphological, optical and electrical properties of films were investigated using XRD, transmission electron microscopy, EDAX, atomic force microscopy (AFM), optical transmission measurements and Hall effect techniques. XRD and EDAX studies of CuInSe{sub 2} thin films revealed that the films deposited in the substrate temperature range of 423-573 K have preferred orientation of grains along the (112) plane and near stoichiometric composition. AFM analysis indicates that the grain size increases with increase of T{sub s} and T{sub a}. Optical and electrical characterizations of films suggest that CuInSe{sub 2} thin films have high absorption coefficient (10{sup 4} cm{sup -1}) and resistivity value in the interval 10{sup -2}-10{sup 1} {Omega} cm influenced by T{sub s} and T{sub a}.

  16. Effect of Metal Doping and Vacancies on the Thermal Conductivity of Monolayer Molybdenum Diselenide.

    Science.gov (United States)

    Yarali, Milad; Brahmi, Hatem; Yan, Zhequan; Li, Xufan; Xie, Lixin; Chen, Shuo; Kumar, Satish; Yoon, Mina; Xiao, Kai; Mavrokefalos, Anastassios

    2018-02-07

    It is well understood that defect engineering can give rise to exotic electronic properties in transition-metal dichalcogenides, but to this date, there is no detailed study to illustrate how defects can be engineered to tailor their thermal properties. Here, through combined experimental and theoretical approaches based on the first-principles density functional theory and Boltzmann transport equations, we have explored the effect of lattice vacancies and substitutional tungsten (W) doping on the thermal transport of the suspended molybdenum diselenide (MoSe 2 ) monolayers grown by chemical vapor deposition (CVD). The results show that even though the isoelectronic substitution of the W atoms for Mo atoms in CVD-grown Mo 0.82 W 018 Se 2 monolayers reduces the Se vacancy concentration by 50% compared to that found in the MoSe 2 monolayers, the thermal conductivity remains intact in a wide temperature range. On the other hand, Se vacancies have a detrimental effect for both samples and more so in the Mo 0.82 W 018 Se 2 monolayers, which results in thermal conductivity reduction up to 72% for a vacancy concentration of 4%. This is because the mass of the W atom is larger than that of the Mo atom, and missing a Se atom at a vacancy site results in a larger mass difference and therefore kinetic energy and potential energy difference. Furthermore, the monotonically increasing thermal conductivity with temperature for both systems at low temperatures indicates the importance of boundary scattering over defects and phonon-phonon scattering at these temperatures.

  17. 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.

  18. 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.

  19. 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.

  20. 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 ...

  1. Molecular descriptors calculation as a tool in the analysis of the antileishmanial activity achieved by two series of diselenide derivatives. An insight into its potential action mechanism.

    Science.gov (United States)

    Font, María; Baquedano, Ylenia; Plano, Daniel; Moreno, Esther; Espuelas, Socorro; Sanmartín, Carmen; Palop, Juan Antonio

    2015-07-01

    A molecular modeling study has been carried out on two previously reported series of symmetric diselenide derivatives that show remarkable antileishmanial in vitro activity against Leishmania infantum intracellular amastigotes and in infected macrophages (THP-1 cells), in addition to showing favorable selectivity indices. Series 1 consists of compounds that can be considered as central scaffold constructed with a diaryl/dialkylaryl diselenide central nucleus, decorated with different substituents located on the aryl rings. Series 2 consists of compounds constructed over a diaryl diselenide central nucleus, decorated in 4 and 4' positions with an aryl or heteroaryl sulfonamide fragment, thus forming the diselenosulfonamide derivatives. With regard to the diselenosulfonamide derivatives (2 series), the activity can be related, as a first approximation, with (a) the ability to release bis(4-aminophenyl) diselenide, the common fragment which can be ultimately responsible for the activity of the compounds. (b) the anti-parasitic activity achieved by the sulfonamide pharmacophore present in the analyzed derivatives. The data that support this connection include the topography of the molecules, the conformational behavior of the compounds, which influences the bond order, as well as the accessibility of the hydrolysis point, and possibly the hydrophobicity and polarizability of the compounds. Copyright © 2015 Elsevier Inc. All rights reserved.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. Toxoplasma gondii: Effects of diphenyl diselenide in experimental toxoplasmosis on biomarkers of cardiac function.

    Science.gov (United States)

    Machado, Vanessa S; Bottari, Nathieli B; Baldissera, Matheus D; Isabel de Azevedo, Maria; Rech, Virginia C; Ianiski, Francine R; Vaucher, Rodrigo A; Mendes, Ricardo E; Camillo, Giovana; Vogel, Fernanda F; de la Rue, Mario L; Carmo, Guilherme M; Tonin, Alexandre A; Da Silva, Aleksandro S

    2016-08-01

    This study aimed to investigate the effects of diphenyl diselenide (PhSe)2 to treat mice experimentally infected by Toxoplasma gondii on seric biomarkers of cardiac function (creatine kinase, creatine kinase MB, troponin, and myoglobin), and lactate dehydrogenase, as well as to evaluate the enzymatic activity of creatine kinase (CK) and adenylate kinase (AK) in heart tissue. For the study, 40 female mice were divided into four groups of 10 animals each: the group A (uninfected and untreated), the group B (uninfected and treated), the group C (infected and untreated) and the group D (infected and treated). The inoculation was performed with 50 cysts of T. gondii (ME-49 strain). Mice from groups B and D were treated at days 1 and 20 post-infection (PI) with 5 μmol kg(-1) of (PhSe)2 subcutaneously. On day 30 PI, the mice were anesthetized and euthanized for blood and heart collection. As a result, it was observed a decrease in AK activity (P < 0.01) in the heart samples of groups C and D compared to the group A. Cardiac CK increased in the group C compared to the group A (P < 0.01). CK levels increased in infected mice (the group C) compared to other groups (A and D). Regarding CK-MB level, there was a decrease in the group D compared to the group B, without statistical difference compared to control groups (A and C). It was observed an increase on myoglobin in groups C and D, differently of troponin, which did not show statistical difference (P < 0.05) between groups. Mice from the group C showed an increase in lactate dehydrogenase (LDH) levels compared to other groups (A, B, and D). Histopathological evaluation of heart samples revealed necrosis, hemorrhagic regions and inflammatory infiltrates in mice from the Group C, differently from the group D where animals showed only inflammatory infiltrates. Based on these results we conclude that the (PhSe)2 had a protective effect on the heart in experimental toxoplasmosis by modulating tissue and seric CK

  8. Growth, structural and optical properties of copper indium diselenide thin films deposited by thermal evaporation method

    Energy Technology Data Exchange (ETDEWEB)

    Shah, N.M.; Panchal, C.J.; Kheraj, V.A.; Ray, J.R.; Desai, M.S. [Applied Physics Department, Faculty of Technology and Engineering, M.S. University of Baroda, Vadodara 390001, Gujarat (India)

    2009-05-15

    Copper indium diselenide (CuInSe{sub 2}) compound was synthesized by reacting its constituent's elements copper, indium and selenium in near stoichiometric proportions (i.e. 1:1:2 with 5% excess selenium) in an evacuated quartz ampoule. Synthesized pulverized compound material was used as an evaporant material to deposit thin films of CuInSe{sub 2} onto organically cleaned sodalime glass substrates, held at different temperatures (300-573 K), by means of single source thermal evaporation method. The phase structure and the composition of chemical constituents present in the synthesized compound and thin films have been investigated using X-ray diffraction and energy dispersive X-ray analysis, respectively. The investigations show that CuInSe{sub 2} thin films grown above 423 K are single phase, having preferred orientation of grains along the (112) direction, and having near stoichiometric composition of elements. The surface morphology of CuInSe{sub 2} films, deposited at different substrate temperatures, has been studied using the atomic force microscopy to estimate its surface roughness. An analysis of the transmission spectra of CuInSe{sub 2} films, recorded in the wavelength range of 500-1500 nm, revealed that the optical absorption coefficient and the energy band gap for CuInSe{sub 2} films, deposited at different substrate temperatures, are {proportional_to}10{sup 4} cm{sup -1} and 1.01-1.06 eV, respectively. The transmission spectrum was analyzed using iterative method to calculate the refractive index and the extinction coefficient of CuInSe{sub 2} thin film deposited at 523 K. The Hall effect measurements and the temperature dependence of the electrical conductivity of CuInSe{sub 2} thin films, deposited at different substrate temperatures, revealed that the films had electrical resistivity in the range of 0.15-20 ohm cm, and the activation energy 82-42 meV, both being influenced by the substrate temperature. (author)

  9. 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

  10. 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.

  11. 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.

  12. 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...

  13. 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...

  14. 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.

  15. Preparation of copper-indium-gallium-diselenide precursor films by electrodeposition for fabricating high efficiency solar cells

    Science.gov (United States)

    Bhattacharya, Raghu N.; Hasoon, Falah S.; Wiesner, Holm; Keane, James; Noufi, Rommel; Ramanathan, Kannan

    1999-02-16

    A photovoltaic cell exhibiting an overall conversion efficiency of 13.6% is prepared from a copper-indium-gallium-diselenide precursor thin film. The film is fabricated by first simultaneously electrodepositing copper, indium, gallium, and selenium onto a glass/molybdenum substrate (12/14). The electrodeposition voltage is a high frequency AC voltage superimposed upon a DC voltage to improve the morphology and growth rate of the film. The electrodeposition is followed by physical vapor deposition to adjust the final stoichiometry of the thin film to approximately Cu(In.sub.1-n Ga.sub.x)Se.sub.2, with the ratio of Ga/(In+Ga) being approximately 0.39.

  16. Classification of titanium dioxide

    International Nuclear Information System (INIS)

    Macias B, L.R.; Garcia C, R.M.; Maya M, M.E.; Ita T, A. De; Palacios G, J.

    2002-01-01

    In this work the X-ray diffraction (XRD), Scanning Electron Microscopy (Sem) and the X-ray Dispersive Energy Spectroscopy techniques are used with the purpose to achieve a complete identification of phases and mixture of phases of a crystalline material as titanium dioxide. The problem for solving consists of being able to distinguish a sample of titanium dioxide being different than a titanium dioxide pigment. A standard sample of titanium dioxide with NIST certificate is used, which indicates a purity of 99.74% for the TiO 2 . The following way is recommended to proceed: a)To make an analysis by means of X-ray diffraction technique to the sample of titanium dioxide pigment and on the standard of titanium dioxide waiting not find differences. b) To make a chemical analysis by the X-ray Dispersive Energy Spectroscopy via in a microscope, taking advantage of the high vacuum since it is oxygen which is analysed and if it is concluded that the aluminium oxide appears in a greater proportion to 1% it is established that is a titanium dioxide pigment, but if it is lesser then it will be only titanium dioxide. This type of analysis is an application of the nuclear techniques useful for the tariff classification of merchandise which is considered as of difficult recognition. (Author)

  17. 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.

  18. 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.

  19. Opportunities in the electrowinning of molten titanium from titanium dioxide

    CSIR Research Space (South Africa)

    Van Vuuren, DS

    2005-10-01

    Full Text Available The value chain of titanium products shows that the difference between the cost of titanium ingot and titanium dioxide is about $9/kg titanium. In contrast, the price of aluminum, which is produced in a similar way, is only about $1.7/kg...

  20. 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)

  1. 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.)

  2. Mechanistic insights on one-phase vs. two-phase Brust–Schiffrin method synthesis of Au nanoparticles with dioctyl-diselenides

    Energy Technology Data Exchange (ETDEWEB)

    Zaluzhna, Oksana; Li, Ying; Zangmeister, Chris; Allison, Thomas C.; Tong, YuYe J.

    2012-01-01

    Metal precursors in the one-phase (1p) and two-phase (2p) Brust-Schiffrin method (BSM) synthesis of Au nanoparticles (NPs) using dioctyl-diselenides were identified. A single dominant type of metal precursor was found in the 1p synthesis as compared to multiple ones in the 2p synthesis, which was proposed as the key reason why the former is better than the latter.

  3. Mechanistic insights on one-phase vs. two-phase Brust-Schiffrin method synthesis of Au nanoparticles with dioctyl-diselenides.

    Science.gov (United States)

    Zaluzhna, Oksana; Li, Ying; Zangmeister, Chris; Allison, Thomas C; Tong, YuYe J

    2012-01-11

    Metal precursors in the one-phase (1p) and two-phase (2p) Brust-Schiffrin method (BSM) synthesis of Au nanoparticles (NPs) using dioctyl-diselenides were identified. A single dominant type of metal precursor was found in the 1p synthesis as compared to multiple ones in the 2p synthesis, which was proposed as the key reason why the former is better than the latter. This journal is © The Royal Society of Chemistry 2012

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Machinability of Titanium Alloys

    Science.gov (United States)

    Rahman, Mustafizur; Wong, Yoke San; Zareena, A. Rahmath

    Titanium and its alloys find wide application in many industries because of their excellent and unique combination of high strength-to-weight ratio and high resistance to corrosion. The machinability of titanium and its alloys is impaired by its high chemical reactivity, low modulus of elasticity and low thermal conductivity. A number of literatures on machining of titanium alloys with conventional tools and advanced cutting tool materials is reviewed. The results obtained from the study on high speed machining of Ti-6Al-4V alloys with cubic boron nitride (CBN), binderless cubic boron nitride (BCBN) and polycrystalline diamond (PCD) are also summarized.

  12. Production of titanium tetrachloride

    International Nuclear Information System (INIS)

    Perillo, P.M.; Botbol, O.

    1990-01-01

    This report presents a summary of results from theoperation of a laboratory scale for the production in batches of approximately 100 gs of titanium tetrachloride by chlorination with chloroform and carbon tetrachloride between 340 deg C and 540 deg C. Chlorination agent vapors were passed through a quartz column reacting with titanium oxide powder agglomerated in little spheres. Obtained titanium tetrachloride was condensed in a condenser, taken in a ballon and then purified by fractional distillation. Optimun temperature for chloroform was 400 deg C with 74 % yield and for carbon tetrachloride was 500 deg C with 69 % yield. (Author) [es

  13. 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.

  14. Titanium oxide fever

    International Nuclear Information System (INIS)

    De Jonge, D.; Visser, J.

    2012-01-01

    One measure to improve air quality is to apply photo-catalytic substances that capture NOx onto the road surface or onto baffle boards alongside the roads. The effect of titanium oxide containing clinkers with coating was discussed in the report 'Demonstration project of air-purifying pavement in Hengelo, The Netherlands' that was published in May 2011. This article examines the way in which the effectiveness of this study was determined. Can titanium oxide containing clinkers and coatings indeed capture NOx?. [nl

  15. Machining of titanium alloys

    CERN Document Server

    2014-01-01

    This book presents a collection of examples illustrating the resent research advances in the machining of titanium alloys. These materials have excellent strength and fracture toughness as well as low density and good corrosion resistance; however, machinability is still poor due to their low thermal conductivity and high chemical reactivity with cutting tool materials. This book presents solutions to enhance machinability in titanium-based alloys and serves as a useful reference to professionals and researchers in aerospace, automotive and biomedical fields.

  16. 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.

  17. Titanium allergy: A literature review

    Directory of Open Access Journals (Sweden)

    Manish Goutam

    2014-01-01

    Full Text Available Titanium has gained immense popularity and has successfully established itself as the material of choice for dental implants. In both medical and dental fields, titanium and its alloys have demonstrated success as biomedical devices. Owing to its high resistance to corrosion in a physiological environment and the excellent biocompatibility that gives it a passive, stable oxide film, titanium is considered the material of choice for intraosseous use. There are certain studies which show titanium as an allergen but the resources to diagnose titanium sensivity are very limited. Attention is needed towards the development of new and precise method for early diagnosis of titanium allergy and also to find out the alternative biomaterial which can be used in place of titanium. A review of available articles from the Medline and PubMed database was done to find literature available regarding titanium allergy, its diagnosis and new alternative material for titanium.

  18. Titanium allergy: a literature review.

    Science.gov (United States)

    Goutam, Manish; Giriyapura, Chandu; Mishra, Sunil Kumar; Gupta, Siddharth

    2014-11-01

    Titanium has gained immense popularity and has successfully established itself as the material of choice for dental implants. In both medical and dental fields, titanium and its alloys have demonstrated success as biomedical devices. Owing to its high resistance to corrosion in a physiological environment and the excellent biocompatibility that gives it a passive, stable oxide film, titanium is considered the material of choice for intraosseous use. There are certain studies which show titanium as an allergen but the resources to diagnose titanium sensivity are very limited. Attention is needed towards the development of new and precise method for early diagnosis of titanium allergy and also to find out the alternative biomaterial which can be used in place of titanium. A review of available articles from the Medline and PubMed database was done to find literature available regarding titanium allergy, its diagnosis and new alternative material for titanium.

  19. Titanium by design: TRIP titanium alloy

    Science.gov (United States)

    Tran, Jamie

    Motivated by the prospect of lower cost Ti production processes, new directions in Ti alloy design were explored for naval and automotive applications. Building on the experience of the Steel Research Group at Northwestern University, an analogous design process was taken with titanium. As a new project, essential kinetic databases and models were developed for the design process and used to create a prototype design. Diffusion kinetic models were developed to predict the change in phase compositions and microstructure during heat treatment. Combining a mobility database created in this research with a licensed thermodynamic database, ThermoCalc and DICTRA software was used to model kinetic compositional changes in titanium alloys. Experimental diffusion couples were created and compared to DICTRA simulations to refine mobility parameters in the titanium mobility database. The software and database were able to predict homogenization times and the beta→alpha plate thickening kinetics during cooling in the near-alpha Ti5111 alloy. The results of these models were compared to LEAP microanalysis and found to be in reasonable agreement. Powder metallurgy was explored using SPS at GM R&D to reduce the cost of titanium alloys. Fully dense Ti5111 alloys were produced and achieved similar microstructures to wrought Ti5111. High levels of oxygen in these alloys increased the strength while reducing the ductility. Preliminary Ti5111+Y alloys were created, where yttrium additions successfully gettered excess oxygen to create oxides. However, undesirable large oxides formed, indicating more research is needed into the homogeneous distribution of the yttrium powder to create finer oxides. Principles established in steels were used to optimize the beta phase transformation stability for martensite transformation toughening in titanium alloys. The Olson-Cohen kinetic model is calibrated to shear strains in titanium. A frictional work database is established for common alloying

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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 ...

  5. 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.)

  6. 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.

  7. 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 ...

  8. 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 ...

  9. 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.

  10. 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.)

  11. 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 ...

  12. 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 ...

  13. 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

  14. 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.

  15. Synthesis of Cu-Poor Copper-Indium-Gallium-Diselenide Nanoparticles by Solvothermal Route for Solar Cell Applications

    Directory of Open Access Journals (Sweden)

    Chung Ping Liu

    2014-01-01

    Full Text Available Copper-indium-gallium-diselenide (CIGS thin films were fabricated using precursor nanoparticle ink and sintering technology. The precursor was a Cu-poor quaternary compound with constituent ratios of Cu/(In+Ga=0.603, Ga/(In+Ga=0.674, and Se/(Cu+In+Ga=1.036. Cu-poor CIGS nanoparticles of chalcopyrite for solar cells were successfully synthesized using a relatively simple and convenient elemental solvothermal route. After a fixed reaction time of 36 h at 180°C, CIGS nanocrystals with diameters in the range of 20–70 nm were observed. The nanoparticle ink was fabricated by mixing CIGS nanoparticles, a solvent, and an organic polymer. Analytical results reveal that the Cu-poor CIGS absorption layer prepared from a nanoparticle-ink polymer by sintering has a chalcopyrite structure and a favorable composition. For this kind of sample, its mole ratio of Cu : In : Ga : Se is equal to 0.617 : 0.410 : 0.510 : 2.464 and related ratios of Ga/(In+Ga and Cu/(In+Ga are 0.554 and 0.671, respectively. Under the condition of standard air mass 1.5 global illumination, the conversion efficiency of the solar cell fabricated by this kind of sample is 4.05%.

  16. Electrical Bias as an Alternate Method for Reproducible Measurement of Copper Indium Gallium Diselenide (CIGS) Photovoltaic Modules: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Deline, C.; Stokes, A.; Silverman, T. J.; Rummel, S.; Jordan, D.; Kurtz, S.

    2012-08-01

    Light-to-dark metastable changes in thin-film photovoltaic (PV) modules can introduce uncertainty when measuring module performance on indoor flash testing equipment. This study describes a method to stabilize module performance through forward-bias current injection rather than light exposure. Measurements of five pairs of thin-film copper indium gallium diselenide (CIGS) PV modules indicate that forward-bias exposure maintained the PV modules at a stable condition (within 1%) while the unbiased modules degraded in performance by up to 12%. It was additionally found that modules exposed to forward bias exhibited stable performance within about 3% of their long-term outdoor exposed performance. This carrier-injection method provides a way to reduce uncertainty arising from fast transients in thin-film module performance between the time a module is removed from light exposure and when it is measured indoors, effectively simulating continuous light exposure by injecting minority carriers that behave much as photocarriers do. This investigation also provides insight into the initial light-induced transients of thin-film modules upon outdoor deployment.

  17. Preparation of titanium diboride powders from titanium alkoxide and ...

    Indian Academy of Sciences (India)

    Titanium diboride powders were prepared through a sol–gel and boron carbide reduction route by using TTIP and B4C as titanium and boron sources. The influence of TTIP concentration, reaction temperature and molar ratio of precursors on the synthesis of titanium diboride was investigated. Three different concentrations ...

  18. 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

  19. Performance of titanium dioxide-based cathodes in a lithium polymer electrolyte cell

    Energy Technology Data Exchange (ETDEWEB)

    Macklin, W.J. (Applied Electrochemistry Dept., AEA Industry Technology, Harwell (United Kingdom)); Neat, R.J. (Applied Electrochemistry Dept., AEA Industry Technology, Harwell (United Kingdom))

    Performance data on two polymorphs of titanium dioxide (anatase and rutile) operating in a lithium polymer electrolyte cell at 120 C are presented. On the first discharge lithium ions can be electrochemically inserted into both forms to an approximate composition LiTiO[sub 2]. However, only the rutile material cycles with a significant capacity ([proportional to] 0.5 Li/TiO[sub 2]) with an average cell voltage of 1.73 V corresponding to a theoretical energy density of [proportional to] 290 W h kg[sup -1]. Our results are in contrast to earlier work reported on the intercalation of lithium into these phases at room temperature, where only the anatase form was found to intercalate lithium. X-ray diffraction data indicate that the rutile form undergoes a structural change during the first discharge resulting in the formation of a hexagonal form of LiTiO[sub 2].

  20. 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.

  1. 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.

  2. 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

  3. Titanium metal: extraction to application

    Energy Technology Data Exchange (ETDEWEB)

    Gambogi, Joseph (USGS, Reston, VA); Gerdemann, Stephen J.

    2002-09-01

    In 1998, approximately 57,000 tons of titanium metal was consumed in the form of mill products (1). Only about 5% of the 4 million tons of titanium minerals consumed each year is used to produce titanium metal, with the remainder primarily used to produce titanium dioxide pigment. Titanium metal production is primarily based on the direct chlorination of rutile to produce titanium tetrachloride, which is then reduced to metal using the Kroll magnesium reduction process. The use of titanium is tied to its high strength-to-weight ratio and corrosion resistance. Aerospace is the largest application for titanium. In this paper, we discuss all aspects of the titanium industry from ore deposits through extraction to present and future applications. The methods of both primary (mining of ore, extraction, and purification) and secondary (forming and machining) operations will be analyzed. The chemical and physical properties of titanium metal will be briefly examined. Present and future applications for titanium will be discussed. Finally, the economics of titanium metal production also are analyzed as well as the advantages and disadvantages of various alternative extraction methods.

  4. Industrial experience with titanium

    International Nuclear Information System (INIS)

    Ikeda, B.M.; Shoesmith, D.W.

    1997-09-01

    Titanium is a reference material for the construction of waste containers in the Canadian Nuclear Fuel Waste Management Program. It has been in industrial service for over 30 a, often in severe corrosion environments, but it is still considered a relatively exotic material with limited operating history. This has arisen because of the aerospace applications of this material and the misconception that the high strength-to-weight ratio dominates the choice of this material. In fact, the advantage of titanium lies in its high reliability and excellent corrosion resistance. It has a proven record in seawater heat exchanger service and a demonstrated excellent reliability even in polluted water. For many reasons it is the technically correct choice of material for marine applications. In this report we review the industrial service history of titanium, particularly in hot saline environments, and demonstrate that it is a viable waste container material, based upon this industrial service history and operating experience. (author)

  5. Surface modification of titanium and titanium alloys by ion implantation.

    Science.gov (United States)

    Rautray, Tapash R; Narayanan, R; Kwon, Tae-Yub; Kim, Kyo-Han

    2010-05-01

    Titanium and titanium alloys are widely used in biomedical devices and components, especially as hard tissue replacements as well as in cardiac and cardiovascular applications, because of their desirable properties, such as relatively low modulus, good fatigue strength, formability, machinability, corrosion resistance, and biocompatibility. However, titanium and its alloys cannot meet all of the clinical requirements. Therefore, to improve the biological, chemical, and mechanical properties, surface modification is often performed. In view of this, the current review casts new light on surface modification of titanium and titanium alloys by ion beam implantation. (c) 2010 Wiley Periodicals, Inc.

  6. 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.

  7. Titanium production for aerospace applications

    Directory of Open Access Journals (Sweden)

    Vinicius A. R. Henriques

    2009-01-01

    Full Text Available Titanium parts are ideally suited for advanced aerospace systems because of their unique combination of high specific strength at both room temperature and moderately elevated temperature, in addition to excellent general corrosion resistance. The objective of this work is to present a review of titanium metallurgy focused on aerospace applications, including developments in the Brazilian production of titanium aimed at aerospace applications. The article includes an account of the evolution of titanium research in the Brazilian Institute (IAE/CTA and the current state-of-art of titanium production in Brazil.

  8. Titanium and zirconium alloys

    International Nuclear Information System (INIS)

    Pinard Legry, G.

    1994-01-01

    Titanium and zirconium pure and base alloys are protected by an oxide film with anionic vacancies which gives a very good resistance to corrosion in oxidizing medium, in some ph ranges. Results of pitting and crevice corrosion are given for Cl - , Br - , I - ions concentration with temperature and ph dependence, also with oxygenated ions effect. (A.B.). 32 refs., 6 figs., 3 tabs

  9. 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...

  10. 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.

  11. 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.

  12. 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.

  13. Antinociceptive action of diphenyl diselenide in the nociception induced by neonatal administration of monosodium glutamate in rats.

    Science.gov (United States)

    Rosa, Suzan G; Quines, Caroline B; da Rocha, Juliana T; Bortolatto, Cristiani F; Duarte, Thiago; Nogueira, Cristina W

    2015-07-05

    Monosodium glutamate (MSG) is a neuroexcitatory amino acid commonly used as flavoring of foods. MSG neonatal administration to animals leads to behavioral and physiological disorders in adulthood, including increased pain sensitivity. This study aimed to investigate the effect of diphenyl diselenide (PhSe)2, an organoselenium compound with pharmacological properties already documented, on nociception induced by MSG. Newborn Wistar rats received 10 subcutaneous injections of MSG at a dose of 4.0g/kg or saline (once daily). At the 60th day of life, the rats were daily treated with (PhSe)2 (1mg/kg) or vehicle (canola oil) by the intragastric route for 7 days. The behavioral tests (locomotor activity, hot plate, tail-immersion and mechanical allodynia) were carried out. Ex vivo assays were performed in samples of hippocampus to determine Na(+), K(+)-ATPase and Ca(2+)-ATPase activities, cytokine levels and [(3)H]glutamate uptake. The results demonstrated that MSG increased nociception in the hot plate test and in the mechanical allodynia stimulated by Von-Frey hair but did not alter the tail immersion test. (PhSe)2 reversed all nociceptive behaviors altered by MSG. MSG caused an increase in Na(+),K(+)-ATPase and Ca(2+)-ATPase activities and in pro-inflammatory cytokine levels and a decrease in the anti-inflammatory cytokine and in the [(3)H]glutamate uptake. (PhSe)2 was effective in reversing all alterations caused by MSG. The results indicate that (PhSe)2 had a potential antinociceptive and anti-inflammatory action in the MSG model. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. 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.

  2. Titanium Honeycomb Panel Testing

    Science.gov (United States)

    Richards, W. Lance; Thompson, Randolph C.

    1996-01-01

    Thermal-mechanical tests were performed on a titanium honeycomb sandwich panel to experimentally validate the hypersonic wing panel concept and compare test data with analysis. Details of the test article, test fixture development, instrumentation, and test results are presented. After extensive testing to 900 deg. F, non-destructive evaluation of the panel has not detected any significant structural degradation caused by the applied thermal-mechanical loads.

  3. Advances in titanium alloys

    International Nuclear Information System (INIS)

    Seagle, S.R.; Wood, J.R.

    1993-01-01

    As described above, new developments in the aerospace market are focusing on higher temperature alloys for jet engine components and higher strength/toughness alloys for airframe applications. Conventional alloys for engines have reached their maximum useful temperature of about 1000 F (540 C) because of oxidation resistance requirements. IMI 834 and Ti-1100 advanced alloys show some improvement, however, the major improvement appears to be in gamma titanium aluminides which could extend the maximum usage temperature to about 1500 F (815 C). This puts titanium alloys in a competitive position to replace nickel-base superalloys. Advanced airframe alloys such as Ti-6-22-22S, Beta C TM , Ti-15-333 and Ti-10-2-3 with higher strength than conventional Ti-6-4 are being utilized in significantly greater quantities, both in military and commercial applications. These alloys offer improved strength with little or no sacrifice in toughness and improved formability, in some cases. Advanced industrial alloys are being developed for improved corrosion resistance in more reducing and higher temperature environments such as those encountered in sour gas wells. Efforts are focused on small precious metal additions to optimize corrosion performance for specific applications at a modest increase in cost. As these applications develop, the usage of titanium alloys for industrial markets should steadily increase to approach that for aerospace applications. (orig.)

  4. 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.

  5. 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

  6. 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.

  7. 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...

  8. 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

  9. 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

  10. Titanium fasteners. [for aircraft industry

    Science.gov (United States)

    Phillips, J. L.

    1972-01-01

    Titanium fasteners are used in large quantities throughout the aircraft industry. Most of this usage is in aluminum structure; where titanium structure exists, titanium fasteners are logically used as well. Titanium fasteners offer potential weight savings to the designer at a cost of approximately $30 per pound of weight saved. Proper and least cost usage must take into consideration type of fastener per application, galvanic couples and installation characteristics of protective coatings, cosmetic appearance, paint adhesion, installation forces and methods available and fatigue performance required.

  11. Titanium: light, strong, and white

    Science.gov (United States)

    Woodruff, Laurel; Bedinger, George

    2013-01-01

    Titanium (Ti) is a strong silver-gray metal that is highly resistant to corrosion and is chemically inert. It is as strong as steel but 45 percent lighter, and it is twice as strong as aluminum but only 60 percent heavier. Titanium dioxide (TiO2) has a very high refractive index, which means that it has high light-scattering ability. As a result, TiO2 imparts whiteness, opacity, and brightness to many products. ...Because of the unique physical properties of titanium metal and the whiteness provided by TiO2, titanium is now used widely in modern industrial societies.

  12. Towards a new titanium sector: Aerospace

    CSIR Research Space (South Africa)

    Du Preez, W

    2012-10-01

    Full Text Available Sector: Aerospace 4th Biennial Conference Presented by: Dr Willie du Preez Director: Titanium Centre of Competence Date: 9 October 2012 Outline ? Why Titanium? ? The Opportunity for South Africa ? The SA Titanium Industry Strategy ? Primary...747 B777 A380 A350 B787 Materials used in Modern Aircraft: Composites vs Titanium ? CSIR 2012 Slide 6 Source: Engineering News Online, American Institute of Aeronautics & Astronautics Aluminium Composite Steel Titanium Others Titanium...

  13. Diphenyl diselenide supplementation in infected mice by Toxoplasma gondii: Protective effect on behavior, neuromodulation and oxidative stress caused by disease.

    Science.gov (United States)

    Machado, Vanessa Schopf; Bottari, Nathieli B; Baldissera, Matheus D; Rech, Virginia C; Ianiski, Francine R; Signor, Cristiane; Rubin, Maribel A; Waczuk, Emily P; Schwertz, Claiton I; Mendes, Ricardo E; Camillo, Giovana; Vogel, Fernanda F; de la Rue, Mario L; Morsch, Vera M; Schetinger, Maria Rosa C; Frühauf, Pâmella K S; Da Silva, Aleksandro S

    2016-10-01

    The aim of this study was to evaluate the effect of subcutaneous administration of diphenyl diselenide (PhSe)2 on animal behavior and activities of acetylcholinesterase (AChE), adenylate kinase (AK), and creatine kinase (CK) in the brain of mice infected by Toxoplasma gondii. In addition, thiobarbituric acid reactive species (TBARS) levels and glutathione (GR, GPx and GST) activity were also evaluated. For the study, 40 female mice were divided into four groups of 10 animals each: group A (uninfected and untreated), group B (uninfected and treated with (PhSe)2), group C (infected and untreated) and group D (infected and treated with (PhSe)2). The mice were inoculated with 50 cysts of the ME49 strain of T. gondii. After infection the animals of the groups B and D were treated on days 1 and 20 post-infection (PI) with 5.0 μmol/kg of (PhSe)2 subcutaneously. Behavioral tests were conducted on days 29 PI to assess memory loss (object recognition), anxiety (elevated plus maze), locomotor and exploratory activity (Open Field) and it was found out that infected and untreated animals (group C) had developed anxiety and memory impairment, and the (PhSe)2 treatment did not reverse these behavioral changes on infected animals treated with (PhSe)2 (group D). The results showed an increase on AChE activity (P < 0.01) in the brain of infected and untreated animals (group C) compared to the uninfected and untreated animals (group A). The AK and CK activities decreased in infected and untreated animals (group C) compared to the uninfected and untreated animals (group A) (P < 0.01), however the (PhSe)2 treatment did not reverse these alterations. Infected and untreated animals (group C) showed increased TBARS levels and GR activity, and decreased GPx and GST activities when compared to uninfected and untreated animals (group A). Infected animals treated with (PhSe)2 (group D) decreased TBARS levels and GR activity, while increased GST activity when compared to infected and

  14. Chemical changes of titanium and titanium dioxide under electron bombardment

    Directory of Open Access Journals (Sweden)

    Romins Brasca

    2007-09-01

    Full Text Available The electron induced effect on the first stages of the titanium (Ti0 oxidation and titanium dioxide (Ti4+ chemical reduction processes has been studied by means of Auger electron spectroscopy. Using factor analysis we found that both processes are characterized by the appearance of an intermediate Ti oxidation state, Ti2O3 (Ti3+.

  15. Plasmonic Titanium Nitride Nanostructures via Nitridation of Nanopatterned Titanium Dioxide

    DEFF Research Database (Denmark)

    Guler, Urcan; Zemlyanov, Dmitry; Kim, Jongbum

    2017-01-01

    Plasmonic titanium nitride nanostructures are obtained via nitridation of titanium dioxide. Nanoparticles acquired a cubic shape with sharper edges following the rock-salt crystalline structure of TiN. Lattice constant of the resulting TiN nanoparticles matched well with the tabulated data. Energy...

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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

  10. 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.

  11. 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

  12. 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

  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. Ion Implantation Studies of Titanium Metal Surfaces.

    Science.gov (United States)

    1981-01-01

    this peak for both titanium and vanadium . It cannot be associated with an inter-band excitation of any of the oxygen states since it appears in the...Half inch diameter polycrystalline rods of titanium monoxide (TiO), titanium dioxide (TiO 2 and titanium sesquioxide (Ti2 03 ) were obtained from

  1. 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.

  2. Facile synthesis of pyrite-type binary nickel iron diselenides as efficient electrocatalyst for oxygen evolution reaction

    Energy Technology Data Exchange (ETDEWEB)

    Chi, Jing-Qi; Shang, Xiao [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China); Liang, Fei [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China); College of Science, China University of Petroleum (East China), Qingdao 266580 (China); Dong, Bin, E-mail: dongbin@upc.edu.cn [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China); College of Science, China University of Petroleum (East China), Qingdao 266580 (China); Li, Xiao; Liu, Yan-Ru; Yan, Kai-Li [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China); Gao, Wen-Kun [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China); College of Science, China University of Petroleum (East China), Qingdao 266580 (China); Chai, Yong-Ming [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China); Liu, Chen-Guang, E-mail: cgliu@upc.edu.cn [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China)

    2017-04-15

    Highlights: • Binary pyrite-type Ni{sub 0.5}Fe{sub 0.5}Se{sub 2}/CFC was prepared by a facile two-step process. • The effect of Ni/Fe (Ni{sub x}Fe{sub 1-x}Se{sub 2} x = 0, 0.2, 0.5, 0.8, 1) on OER was investigated. • Ni{sub 0.5}Fe{sub 0.5}Se{sub 2}/CFC (x = 0.5) possesses the better electrocatalytic activity for OER. • The enhanced activity may be attributed to binary Ni{sub 0.5}Fe{sub 0.5}Se{sub 2} and CFC support. - Abstract: Pyrite-type binary nickel iron diselenides (Ni{sub 0.5}Fe{sub 0.5}Se{sub 2}) supported on carbon fiber cloth (CFC) as electrocatalysts for oxygen evolution reaction (OER) have been prepared by a facile two-step process. Firstly, binary Ni{sub 0.5}Fe{sub 0.5} hydroxide nanosheets have been electrodeposited on CFC. Secondly, a solvothermal selenization process has been used to convert Ni{sub 0.5}Fe{sub 0.5}/CFC into Ni{sub 0.5}Fe{sub 0.5}Se{sub 2}/CFC. XRD shows that Ni{sub 0.5}Fe{sub 0.5}Se{sub 2} on CFC has the typically octahedral crystalline. XPS proves the existence and valence of Ni, Fe and Se. SEM images show that Ni{sub 0.5}Fe{sub 0.5}Se{sub 2} has novel pyrite-type octahedral morphology with uniform size and good dispersion on the surface of CFC. SEM elemental mapping images confirm the good distribution of Ni, Fe, Se element on CFC. TEM and SAED provide the clear diffraction rings of octahedral Ni{sub 0.5}Fe{sub 0.5}Se{sub 2}, which is consistent with the results of XRD. Furtherly, the effect of different ratio of Ni/Fe (Ni{sub x}Fe{sub 1-x}Se{sub 2} x = 0, 0.2, 0.5, 0.8, 1) on OER performances has been systematically investigated. The electrochemical measurements results show that Ni{sub 0.5}Fe{sub 0.5}Se{sub 2}/CFC (x = 0.5) possesses the better electrocatalytic activity with the lower overpotential, Tafel slope and long-term stability than other samples. The enhanced activity of Ni{sub 0.5}Fe{sub 0.5}Se{sub 2}/CFC may be attributed to the intrinsic activity of binary Ni{sub 0.5}Fe{sub 0.5}Se{sub 2} and faster electron

  3. 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

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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)

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Low cost titanium--myth or reality

    Energy Technology Data Exchange (ETDEWEB)

    Turner, Paul C.; Hartman, Alan D.; Hansen, Jeffrey S.; Gerdemann, Stephen J.

    2001-01-01

    In 1998, approximately 57,000 tons of titanium metal was consumed in the form of mill products (1). Only about 5% of the 4 million tons of titanium minerals consumed each year is used to produce titanium metal, with the remainder primarily used to produce titanium dioxide pigment. Titanium metal production is primarily based on the direct chlorination of rutile to produce titanium tetrachloride, which is then reduced to metal using the Kroll magnesium reduction process. The use of titanium is tied to its high strength-to-weight ratio and corrosion resistance. Aerospace is the largest application for titanium, and titanium cost has prevented its use in non-aerospace applications including the automotive and heavy vehicle industries.

  19. 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.

  20. 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.

  1. 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.

  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. Titanium nanostructures for biomedical applications

    International Nuclear Information System (INIS)

    Kulkarni, M; Gongadze, E; Perutkova, Š; A Iglič; Mazare, A; Schmuki, P; Kralj-Iglič, V; Milošev, I; Mozetič, M

    2015-01-01

    Titanium and titanium alloys exhibit a unique combination of strength and biocompatibility, which enables their use in medical applications and accounts for their extensive use as implant materials in the last 50 years. Currently, a large amount of research is being carried out in order to determine the optimal surface topography for use in bioapplications, and thus the emphasis is on nanotechnology for biomedical applications. It was recently shown that titanium implants with rough surface topography and free energy increase osteoblast adhesion, maturation and subsequent bone formation. Furthermore, the adhesion of different cell lines to the surface of titanium implants is influenced by the surface characteristics of titanium; namely topography, charge distribution and chemistry. The present review article focuses on the specific nanotopography of titanium, i.e. titanium dioxide (TiO 2 ) nanotubes, using a simple electrochemical anodisation method of the metallic substrate and other processes such as the hydrothermal or sol-gel template. One key advantage of using TiO 2 nanotubes in cell interactions is based on the fact that TiO 2 nanotube morphology is correlated with cell adhesion, spreading, growth and differentiation of mesenchymal stem cells, which were shown to be maximally induced on smaller diameter nanotubes (15 nm), but hindered on larger diameter (100 nm) tubes, leading to cell death and apoptosis. Research has supported the significance of nanotopography (TiO 2 nanotube diameter) in cell adhesion and cell growth, and suggests that the mechanics of focal adhesion formation are similar among different cell types. As such, the present review will focus on perhaps the most spectacular and surprising one-dimensional structures and their unique biomedical applications for increased osseointegration, protein interaction and antibacterial properties. (topical review)

  4. Titanium nanostructures for biomedical applications

    Science.gov (United States)

    Kulkarni, M.; Mazare, A.; Gongadze, E.; Perutkova, Š.; Kralj-Iglič, V.; Milošev, I.; Schmuki, P.; Iglič, A.; Mozetič, M.

    2015-02-01

    Titanium and titanium alloys exhibit a unique combination of strength and biocompatibility, which enables their use in medical applications and accounts for their extensive use as implant materials in the last 50 years. Currently, a large amount of research is being carried out in order to determine the optimal surface topography for use in bioapplications, and thus the emphasis is on nanotechnology for biomedical applications. It was recently shown that titanium implants with rough surface topography and free energy increase osteoblast adhesion, maturation and subsequent bone formation. Furthermore, the adhesion of different cell lines to the surface of titanium implants is influenced by the surface characteristics of titanium; namely topography, charge distribution and chemistry. The present review article focuses on the specific nanotopography of titanium, i.e. titanium dioxide (TiO2) nanotubes, using a simple electrochemical anodisation method of the metallic substrate and other processes such as the hydrothermal or sol-gel template. One key advantage of using TiO2 nanotubes in cell interactions is based on the fact that TiO2 nanotube morphology is correlated with cell adhesion, spreading, growth and differentiation of mesenchymal stem cells, which were shown to be maximally induced on smaller diameter nanotubes (15 nm), but hindered on larger diameter (100 nm) tubes, leading to cell death and apoptosis. Research has supported the significance of nanotopography (TiO2 nanotube diameter) in cell adhesion and cell growth, and suggests that the mechanics of focal adhesion formation are similar among different cell types. As such, the present review will focus on perhaps the most spectacular and surprising one-dimensional structures and their unique biomedical applications for increased osseointegration, protein interaction and antibacterial properties.

  5. 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

  6. 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...

  7. 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.

  8. 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

  9. 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...

  10. 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

  11. 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

  12. 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

  13. 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.

  14. 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...

  15. 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

  16. Plasmonic titanium nitride nanostructures for perfect absorbers

    DEFF Research Database (Denmark)

    Guler, Urcan; Li, Wen-Wei; Kinsey, Nathaniel

    2013-01-01

    We propose a metamaterial based perfect absorber in the visible region, and investigate the performance of titanium nitride as an alternative plasmonic material. Numerical and experimental results reveal that titanium nitride performs better than gold as a plasmonic absorbing material...

  17. 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.

  18. 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.

  19. 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.).

  20. 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.

  1. 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

  2. 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

  3. 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.

  4. 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.

  5. 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.

  6. Printing of Titanium implant prototype

    International Nuclear Information System (INIS)

    Wiria, Florencia Edith; Shyan, John Yong Ming; Lim, Poon Nian; Wen, Francis Goh Chung; Yeo, Jin Fei; Cao, Tong

    2010-01-01

    Dental implant plays an important role as a conduit of force and stress to flow from the tooth to the related bone. In the load sharing between an implant and its related bone, the amount of stress carried by each of them directly related to their stiffness or modulus. Hence, it is a crucial issue for the implant to have matching mechanical properties, in particular modulus, between the implant and its related bone. Titanium is a metallic material that has good biocompatibility and corrosion resistance. Whilst the modulus of the bulk material is still higher than that of bone, it is the lowest among all other commonly used metallic implant materials, such as stainless steel or cobalt alloy. Hence it is potential to further reduce the modulus of pure Titanium by engineering its processing method to obtain porous structure. In this project, porous Titanium implant prototype is fabricated using 3-dimensional printing. This technique allows the flexibility of design customization, which is beneficial for implant fabrication as tailoring of implant size and shape helps to ensure the implant would fit nicely to the patient. The fabricated Titanium prototype had a modulus of 4.8-13.2 GPa, which is in the range of natural bone modulus. The compressive strength achieved was between 167 to 455 MPa. Subsequent cell culture study indicated that the porous Titanium prototype had good biocompatibility and is suitable for bone cell attachment and proliferation.

  7. Anodic growth of titanium dioxide nanostructures

    DEFF Research Database (Denmark)

    2010-01-01

    Disclosed is a method of producing nanostructures of titanium dioxide (TiO 2 ) by anodisation of titanium (Ti) in an electrochemical cell, comprising the steps of: immersing a non-conducting substrate coated with a layer of titanium, defined as the anode, in an electrolyte solution...... an electrical contact to the layer of titanium on the anode, where the electrical contact is made in the electrolyte solution...

  8. 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.

  9. 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.

  10. 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.

  11. Uranium fluorides analysis. Titanium spectrophotometric determination

    International Nuclear Information System (INIS)

    Anon.

    Titanium determination in uranium hexafluoride in the range 0.7 to 100 microgrammes after transformation of uranium fluoride in sulfate. Titanium is separated by extraction with N-benzoylphenylhydroxylamine, reextracted by hydrochloric-hydrofluoric acid. The complex titanium-N-benzoylphenylhydroxylamine is extracted by chloroform. Spectrophotometric determination at 400 nm [fr

  12. 21 CFR 73.1575 - Titanium dioxide.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Titanium dioxide. 73.1575 Section 73.1575 Food and... ADDITIVES EXEMPT FROM CERTIFICATION Drugs § 73.1575 Titanium dioxide. (a) Identity and specifications. (1) The color additive titanium dioxide shall conform in identity and specifications to the requirements...

  13. 40 CFR 180.1195 - Titanium dioxide.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Titanium dioxide. 180.1195 Section 180.1195 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS... Titanium dioxide. Titanium dioxide is exempted from the requirement of a tolerance for residues in or on...

  14. 21 CFR 73.2575 - Titanium dioxide.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Titanium dioxide. 73.2575 Section 73.2575 Food and... ADDITIVES EXEMPT FROM CERTIFICATION Cosmetics § 73.2575 Titanium dioxide. (a) Identity and specifications. The color additive titanium dioxide shall conform in identity and specifications to the requirements...

  15. 21 CFR 73.575 - Titanium dioxide.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Titanium dioxide. 73.575 Section 73.575 Food and... ADDITIVES EXEMPT FROM CERTIFICATION Foods § 73.575 Titanium dioxide. (a) Identity. (1) The color additive titanium dioxide is synthetically prepared TiO2, free from admixture with other substances. (2) Color...

  16. 21 CFR 73.3126 - Titanium dioxide.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Titanium dioxide. 73.3126 Section 73.3126 Food and... ADDITIVES EXEMPT FROM CERTIFICATION Medical Devices § 73.3126 Titanium dioxide. (a) Identity and specifications. The color additive titanium dioxide (CAS Reg. No. 13463-67-7), Color Index No. 77891, shall...

  17. Adaptive mesh refinement in titanium

    Energy Technology Data Exchange (ETDEWEB)

    Colella, Phillip; Wen, Tong

    2005-01-21

    In this paper, we evaluate Titanium's usability as a high-level parallel programming language through a case study, where we implement a subset of Chombo's functionality in Titanium. Chombo is a software package applying the Adaptive Mesh Refinement methodology to numerical Partial Differential Equations at the production level. In Chombo, the library approach is used to parallel programming (C++ and Fortran, with MPI), whereas Titanium is a Java dialect designed for high-performance scientific computing. The performance of our implementation is studied and compared with that of Chombo in solving Poisson's equation based on two grid configurations from a real application. Also provided are the counts of lines of code from both sides.

  18. Confinement - assisted shock-wave-induced thin-film delamination (SWIFD) of copper indium gallium diselenide (CIGS) on a flexible substrate

    Science.gov (United States)

    Lorenz, Pierre; Zagoranskiy, Igor; Ehrhardt, Martin; Han, Bing; Bayer, Lukas; Zimmer, Klaus

    2017-12-01

    The laser structuring of CIGS (copper indium gallium (di)selenide) solar cell material without influence and damaging the functionality of the active layer is a challenge for laser methods The shock-wave-induced thin-film delamination (SWIFD) process allows structuring without thermal modifications due to a spatial separation of the laser absorption from the functional layer removal process. In the present study, SWIFD structuring of CIGS solar cell stacks was investigated. The rear side of the polyimide was irradiated with a KrF-Excimer laser. The laser-induced ablation process generates a traverse shock wave, and the interaction of the shock wave with the layer-substrate interface results in a delamination process. The effect of a water confinement on the SWIFD process was studied where the rear side of the substrate was covered with a ∼2 mm thick water layer. The resultant surface morphology was analysed and discussed. At a sufficient number of laser pulses N and laser fluences Φ, the CIGS layer can be selectively removed from the Mo back contact. The water confinement, as well as the increasing laser beam size A0 and N, results in the reduction of the necessary minimal laser fluence Φth. Further, the delaminated CIGS area increased with increasing Φ, N, and A0.

  19. Structural, optical, electrochemical and photovoltaic studies of spider web like Silver Indium Diselenide Quantum dots synthesized by ligand mediated colloidal sol-gel approach

    Science.gov (United States)

    Adhikari, Tham; Pathak, Dinesh; Wagner, Tomas; Jambor, Roman; Jabeen, Uzma; Aamir, Muhammad; Nunzi, Jean-Michel

    2017-11-01

    Silver indium diselenide quantum dots were successively synthesized by colloidal sol-gel method by chelating with organic ligand oleylamine (OLA). The particle size was studied by transmission electron microscopy (TEM) and the size was found about 10 nm. X-ray diffraction (XRD) was used to study crystalline structure of the nanocrystals. The grain size and morphology were further studied by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The elemental composition was studied by X-ray photon electron spectroscopy (XPS) and energy dispersive x-ray spectroscopy (EDAX). The capping property of OLA in nanocrystal was also demonstrated by Fourier Transform Infrared spectroscopy (FTIR). The band gap was calculated from both cyclic voltammetry and optical absorption and suggest quantum confinement. The solution processed bilayer thin film solar cells were fabricated with n-type Zinc oxide using doctor blading/spin coating method and their photovoltaic performance was studied. The best device sintered at 450 °C showed an efficiency 0.75% with current density of 4.54 mAcm-2, open-circuit voltage 0.44 V and fill factor 39.4%.

  20. Bis(phenylimidazoselenazolyl) diselenide elicits antinociceptive effect by modulating myeloperoxidase activity, NOx and NFkB levels in the collagen-induced arthritis mouse model.

    Science.gov (United States)

    Chagas, Pietro M; Fulco, Bruna C W; Sari, Marcel H M; Roehrs, Juliano A; Nogueira, Cristina W

    2017-08-01

    Bis(phenylimidazoselenazolyl) diselenide (BPIS) is an organoselenium with acute antinociceptive and antioxidant properties. The aim of this study was to investigate BPIS effect on a collagen-induced arthritis (CIA) model in mice. Protocol of exposure consisted in arthritis induction by chicken collagen type II on day 0 with booster injection on day 21. On day 60 after collagen injection, incidence of mechanic allodynia (Von Frey test) or thermal hyperalgesia (hot plate test) was evaluated. During following 5 days, mice were treated with BPIS (0.1-1 mg/kg; p.o.; daily) or vehicle. On day 65, mice were killed, and paws and spinal cord were removed for analyses. Mice submitted to CIA model developed both mechanical allodynia and thermal hyperalgesia, which were reversed by BPIS at the highest dose. In paw, BPIS reversed the increase in myeloperoxidase activity in the CIA group. In the spinal cord, BPIS decreased NOx and NFkB levels increased in the CIA group. BPIS-treated animals had lower cyclooxygenase-2 levels in the spinal cord. The myeloperoxidase activity in paw and NOx and NFkB levels in spinal cord are related to antinociceptive properties of BPIS in CIA model. © 2017 Royal Pharmaceutical Society.

  1. Impact of SIN-1-derived peroxynitrite flux on endothelial cell redox homeostasis and bioenergetics: protective role of diphenyl diselenide via induction of peroxiredoxins.

    Science.gov (United States)

    Fiuza, B; Subelzú, N; Calcerrada, P; Straliotto, M R; Piacenza, L; Cassina, A; Rocha, J B T; Radi, R; de Bem, A F; Peluffo, G

    2015-02-01

    Increased production of reactive nitrogen (RNS) and oxygen (ROS) species and its detrimental effect to mitochondria are associated with endothelial dysfunction. This study was designed to determine the effect of a peroxynitrite flux, promoted by 1,3-morpholinosydnonimine (SIN-1), in mitochondrial function and some redox homeostasis parameters in bovine aortic endothelial cells (BAEC). Moreover, the effect of diphenyl diselenide (PhSe)2, a simple organic selenium compound, in preventing peroxynitrite-mediated cytotoxicity was also investigated. Our results showed that overnight exposure to SIN-1 (250 μM) caused a profound impairment of oxygen consumption, energy generation and reserve capacity in mitochondria of BAEC. Mitochondrial dysfunction resulted in an additional intracellular production of peroxynitrite, amplifying the phenomenon and leading to changes in redox homeostasis. Moreover, we observed an extensive decline in mitochondrial membrane potential (ΔΨm) induced by peroxynitrite and this event was associated with apoptotic-type cell death. Alternatively, the pretreatment of BAEC with (PhSe)2, hindered peroxynitrite-mediated cell damage by preserving mitochondrial and endothelial function and consequently preventing apoptosis. The protective effect of (PhSe)2 was related to its ability to improve the intracellular redox state by increasing the expression of different isoforms of peroxiredoxins (Prx-1-3), efficient enzymes in peroxynitrite detoxification.

  2. 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.

  3. 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

  4. 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''

  5. 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

  6. Lactobacillusassisted synthesis of titanium nanoparticles

    Directory of Open Access Journals (Sweden)

    Jha Anal

    2007-01-01

    Full Text Available AbstractAn eco-friendlylactobacillussp. (microbe assisted synthesis of titanium nanoparticles is reported. The synthesis is performed at room temperature. X-ray and transmission electron microscopy analyses are performed to ascertain the formation of Ti nanoparticles. Individual nanoparticles as well as a number of aggregates almost spherical in shape having a size of 40–60 nm are found.

  7. 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.

  8. 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.

  9. 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.

  10. 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.'

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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)

  3. 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

  4. 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.

  5. 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

  6. 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.

  7. The cation-deficient Ruddlesden-Popper oxysulfide Y2Ti2O5S2 as a layered sulfide: topotactic potassium intercalation to form KY2Ti2O5S2.

    Science.gov (United States)

    Rutt, Oliver J; Hill, Timothy L; Gál, Zoltán A; Hayward, Michael A; Clarke, Simon J

    2003-12-01

    Potassium intercalation into the cation-deficient n = 2 Ruddlesden-Popper oxysulfide Y(2)Ti(2)O(5)S(2) to form KY(2)Ti(2)O(5)S(2) has been carried out by reaction of the oxysulfide with potassium vapor in sealed metal tubes at 400 degrees C, potassium naphthalide in THF at 50 degrees C, or potassium in liquid ammonia at temperatures as low as -78 degrees C. Insertion of potassium is topotactic, and although a site 12-coordinate by oxide ions is vacant in the perovskite-type oxide slabs of the structure, potassium is too large to enter this site via the 4-coordinate window, and instead enters the rock-salt-type sulfide layers of the structure which necessitates a 30% increase in the lattice parameter c normal to the layers. In contrast with one of the sodium intercalates of Y(2)Ti(2)O(5)S(2) (beta-NaY(2)Ti(2)O(5)S(2)) in which sodium occupies a tetrahedral site in the sulfide layers, potassium favors an 8-coordinate site which necessitates a relative translation of adjacent oxide slabs. KY(2)Ti(2)O(5)S(2) is tetragonal: P4/mmm, a = 3.71563(4) A, c = 14.8682(2) A (at 298 K), Z = 1. Although the resistivity (3.4(1) x 10(3) Omega cm) is larger than would be expected for a metal, temperature independent paramagnetism dominates the magnetic susceptibility, and the material is electronically very similar to the analogous sodium intercalate beta-NaY(2)Ti(2)O(5)S(2) which features reduced-titanium-containing oxide layers of very similar geometry and electron count.

  8. Antimicrobial titanium/silver PVD coatings on titanium

    Directory of Open Access Journals (Sweden)

    Thull Roger

    2006-03-01

    Full Text Available Abstract Background Biofilm formation and deep infection of endoprostheses is a recurrent complication in implant surgery. Post-operative infections may be overcome by adjusting antimicrobial properties of the implant surface prior to implantation. In this work we described the development of an antimicrobial titanium/silver hard coating via the physical vapor deposition (PVD process. Methods Coatings with a thickness of approximately 2 μm were deposited on titanium surfaces by simultaneous vaporisation of both metals in an inert argon atmosphere with a silver content of approximately 0.7 – 9% as indicated by energy dispersive X-ray analysis. On these surfaces microorganisms and eukaryotic culture cells were grown. Results The coatings released sufficient silver ions (0.5–2.3 ppb when immersed in PBS and showed significant antimicrobial potency against Staphylococcus epidermis and Klebsiella pneumoniae strains. At the same time, no cytotoxic effects of the coatings on osteoblast and epithelial cells were found. Conclusion Due to similar mechanical performance when compared to pure titanium, the TiAg coatings should be suitable to provide antimicrobial activity on load-bearing implant surfaces.

  9. 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.

  10. 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.)

  11. 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.

  12. 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

  13. Bisphenol A impairs the memory function and glutamatergic homeostasis in a sex-dependent manner in mice: Beneficial effects of diphenyl diselenide.

    Science.gov (United States)

    Jardim, Natália S; Sartori, Glaúbia; Sari, Marcel H M; Müller, Sabrina G; Nogueira, Cristina W

    2017-08-15

    Bisphenol A (BPA) is a compound integrated in commodities, which consequently increases the human exposure to this toxicant. The deleterious effects of BPA exposure during periods of brain development have been documented mainly concerning the impairment in memory functions. Diphenyl diselenide (PhSe) 2 , an organoselenium compound, shows protective/restorative effects against memory deficits in experimental models. Thus, this study investigated the effects of (PhSe) 2 on the memory impairments induced by BPA exposure to male and female mice and the possible involvement of glutamatergic system in these effects. Three-week-old male and female Swiss mice received BPA (5mg/kg), intragastrically, from 21st to 60th postnatal day. After, the animals were intragastrically treated with (PhSe) 2 (1mg/kg) during seven days. The mice performed the behavioral memory tests and the [ 3 H] glutamate uptake and NMDA receptor subunits (2A and 2B) analyses were carried out in the hippocampus and cerebral cortex of mice. The results demonstrated that the BPA exposure induced impairment of object recognition memory in both sexes. However, it caused impairments in spatial memory in female and in the passive avoidance memory in male mice. Besides, BPA caused a decrease in the [ 3 H] glutamate uptake and NMDA receptor subunit levels in the cortical and hippocampal regions depending on the sex. Treatment with (PhSe) 2 reversed in a sex-independent manner the behavioral impairments and molecular alterations. In conclusion, BPA had a negative effect in different memory types as well as in the glutamatergic parameters in a sex-dependent manner and (PhSe) 2 treatment was effective against these alterations. Copyright © 2017 Elsevier Inc. All rights reserved.

  14. Homeostatic effect of p-chloro-diphenyl diselenide on glucose metabolism and mitochondrial function alterations induced by monosodium glutamate administration to rats.

    Science.gov (United States)

    Quines, Caroline B; Rosa, Suzan G; Chagas, Pietro M; da Rocha, Juliana T; Dobrachinski, Fernando; Carvalho, Nélson R; Soares, Félix A; da Luz, Sônia C Almeida; Nogueira, Cristina W

    2016-01-01

    The metabolic syndrome is a group of metabolic alterations considered a worldwide public health problem. Organic selenium compounds have been reported to have many different pharmacological actions, such as anti-hypercholesterolemic and anti-hyperglycemic. The aim of this study was to evaluate the effect of p-chloro-diphenyl diselenide (p-ClPhSe)2, an organic selenium compound, in a model of obesity induced by monosodium glutamate (MSG) administration in rats. The rats were treated during the first ten postnatal days with MSG and received (p-ClPhSe)2 (10 mg/kg, intragastrically) from 45th to 51 th postnatal day. Glucose, lipid and lactate levels were determined in plasma of rats. Glycogen levels and activities of tyrosine aminotransferase, hexokinase, citrate synthase and glucose-6-phosphatase (G-6-Pase) were determined in livers of rats. Renal G-6-Pase activity was also determined. The purine content [Adenosine triphosphate (ATP), adenosine diphosphate (ADP) and adenosine monophosphate] and mitochondrial functionality in the liver were also investigated. p-(ClPhSe)2 did not alter the reduction in growth performance and in the body weight caused by MSG but reduced epididymal fat deposition of rats. p-(ClPhSe)2 restored glycemia, triglycerides, cholesterol and lactate levels as well as the glucose metabolism altered in rats treated with MSG. p-(ClPhSe)2 restored hepatic mitochondrial dysfunction and the decrease in citrate synthase activity and ATP and ADP levels caused by MSG in rats. In summary, (p-ClPhSe)2 had homeostatic effects on glucose metabolism and mitochondrial function alterations induced by MSG administration to rats.

  15. Diphenyl diselenide ameliorates monosodium glutamate induced anxiety-like behavior in rats by modulating hippocampal BDNF-Akt pathway and uptake of GABA and serotonin neurotransmitters.

    Science.gov (United States)

    Rosa, Suzan Gonçalves; Quines, Caroline Brandão; Stangherlin, Eluza Curte; Nogueira, Cristina Wayne

    2016-03-01

    Monosodium glutamate (MSG), a flavor enhancer used in food, administered to neonatal rats causes neuronal lesions and leads to anxiety when adulthood. We investigated the anxiolytic-like effect of diphenyl diselenide (PhSe)2 and its mechanisms on anxiety induced by MSG. Neonatal male and female Wistar rats received a subcutaneous injection of saline (0.9%) or MSG (4 g/kg/day) from the 1st to 10th postnatal day. At 60 days of life, the rats received (PhSe)2 (1mg/kg/day) or vehicle by the intragastric route for 7 days. The spontaneous locomotor activity (LAM), elevated plus maze test (EPM) and contextual fear conditioning test (CFC) as well as neurochemical ([(3)H]GABA and [(3)H]5-HT uptake) and molecular analyses (Akt and p-Akt and BDNF levels) were carried out after treatment with (PhSe)2. Neonatal exposure to MSG increased all anxiogenic parameters in LAM, EPM and CFC tests. MSG increased GABA and 5-HT uptake in hippocampus of rats, without changing uptake in cerebral cortex. The levels of BDNF and p-Akt were reduced in hippocampus of rats treated with MSG. The administration of (PhSe)2 to rats reversed all behavioral anxiogenic parameters altered by MSG. The increase in hippocampal GABA and 5-HT uptake induced by MSG was reversed by (PhSe)2. (PhSe)2 reversed the reduction in hippocampal BDNF and p-Akt levels induced by MSG. In conclusion, the anxiolytic-like action of (PhSe)2 in rats exposed to MSG during their neonatal period is related to its modulation of hippocampal GABA and 5-HT uptake as well as the BDNF-Akt pathway. Copyright © 2015 Elsevier Inc. All rights reserved.

  16. Diphenyl diselenide elicits antidepressant-like activity in rats exposed to monosodium glutamate: A contribution of serotonin uptake and Na(+), K(+)-ATPase activity.

    Science.gov (United States)

    Quines, Caroline B; Rosa, Suzan G; Velasquez, Daniela; Da Rocha, Juliana T; Neto, José S S; Nogueira, Cristina W

    2016-03-15

    Depression is a disorder with symptoms manifested at the psychological, behavioral and physiological levels. Monosodium glutamate (MSG) is the most widely used additive in the food industry; however, some adverse effects induced by this additive have been demonstrated in experimental animals and humans, including functional and behavioral alterations. The aim of this study was to investigate the possible antidepressant-like effect of diphenyl diselenide (PhSe)2, an organoselenium compound with pharmacological properties already documented, in the depressive-like behavior induced by MSG in rats. Male and female newborn Wistar rats were divided in control and MSG groups, which received, respectively, a daily subcutaneous injection of saline (0.9%) or MSG (4g/kg/day) from the 1st to 5th postnatal day. At 60th day of life, animals received (PhSe)2 (10mg/kg, intragastrically) 25min before spontaneous locomotor and forced swimming tests (FST). The cerebral cortices of rats were removed to determine [(3)H] serotonin (5-HT) uptake and Na(+), K(+)-ATPase activity. A single administration of (PhSe)2 was effective against locomotor hyperactivity caused by MSG in rats. (PhSe)2 treatment protected against the increase in the immobility time and a decrease in the latency for the first episode of immobility in the FST induced by MSG. Furthermore, (PhSe)2 reduced the [(3)H] 5-HT uptake and restored Na(+), K(+)-ATPase activity altered by MSG. In the present study a single administration of (PhSe)2 elicited an antidepressant-like effect and decrease the synaptosomal [(3)H] 5-HT uptake and an increase in the Na(+), K(+)-ATPase activity in MSG-treated rats. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. 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.

  18. 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.

  19. Titanium: the innovators metal. Historical case studies tracing titanium process and product innovation [Conference paper

    CSIR Research Space (South Africa)

    Oosthuizen, SJ

    2010-10-01

    Full Text Available at the development of a proprietary low cost titanium metal production process, and the continued development and commercialisation of technologies to compete cost effectively in international titanium markets4. Considering that the national strategy... of primary importance in the establishment of markets for titanium? c) Can it be reasoned that South African strategy for titanium beneficiation should include efforts to develop and support innovation and entrepreneurship in this field? Findings...

  20. Titanium - ceramic restoration: How to improve the binding between titanium and ceramic

    Directory of Open Access Journals (Sweden)

    Harry Laksono

    2011-03-01

    Full Text Available Background: Titanium alloys has been used as an alternative to nickel-chromium alloys for metal-ceramic restorations because of its good biocompatibility and mechanical properties. This indicated that it was possible to design coping according to standards established for metal-ceramics. However, titanium is chemically reacting strongly with gaseous elements which causes problems when ceramics are fused to titanium. Purpose: To provide information about improving the bonding between titanium and ceramic. Review: Titanium has two crystal modifications, the close-packed hexagonal (α structure, up to 880° C, and above this temperature the bodycentered cubic (β structure. The principal problems is the extensive dissolution of oxygen resulting in thick, oxygen-rich titanium layers called α-case that harms the bonding of ceramic to titanium and the great mismatch in the coefficient of thermal expansion of conventional ultra-low fusing ceramic. Methods have been developed for fusing ceramic to titanium like processing methods, the used of ultra-low fusing titanium ceramic, bonding agent, and protocol for ceramic bonding to titanium. Conclusion: Titanium and titanium alloys, based on their physical and chemical properties suitable for titanium-ceramic restorations, but careful selection of processing methods, ceramic materials, laboratory skill and strict protocol for ceramic bonding to titanium are necessary to improve the bonding between titanium and ceramic.Latar Belakang: Logam campur titanium telah dipakai sebagai salah satu bahan alternatif untuk logam nikel-krom pada pembuatan restorasi keramik taut logam karena mempunyai biokompatibilitas dan sifat mekanik yang baik. Hal ini menunjukkan bahwa logam titanium dapat dipakai untuk pembuatan koping logam berdasarkan standar yang dipakai untuk pembuatan restorasi keramik taut logam. Meskipun, secara kimiawi logam titanium bereaksi dengan elemen-elemen gas yang menyebabkan masalah pada perlekatan

  1. Selective recovery of titanium dioxide from low grade sources

    CSIR Research Space (South Africa)

    Van Vuuren, DS

    2006-09-01

    Full Text Available There are a number of readily available, large reserves of titanium dioxide bearing minerals from which the titanium dioxide cannot currently be economically recovered via current commercial recovery processes due to: The grade of titanium dioxide...

  2. Clinical bending of nickel titanium wires

    OpenAIRE

    Stephen Chain; Priyank Seth; Namrata Rastogi; Kenneth Tan; Mayank Gupta; Richa Singh

    2015-01-01

    Since the evolution and the involvement of Nickel Titanium wires in the field of Orthodontics. The treatment plan has evolved with the use of low force Nickel Titanium wires. Because of their high springback, low stiffness, they are the key initial wires in leveling and alignment but have poor formability. Since poor formability limits its ability to create variable arch forms thus; limits the form of treatment. We have devised a method to bend the Nickel Titanium wires to help in our invento...

  3. Production of titanium from ilmenite: a review

    Energy Technology Data Exchange (ETDEWEB)

    Kohli, R.

    1981-12-01

    The general principles for beneficiation of titanium ores are reviewed and the specific processes used in individual units in various countries are discussed. This is followed by a critical evaluation of various current and potential reduction methods for the production of titanium metal from the processed concentrates. Finally, the report outlines a research program for the development of a commercially viable alternative method for the production of titanium metal.

  4. Titanium metal obtention by fused salts electrolysis

    International Nuclear Information System (INIS)

    Perillo, P.M.; Ares, Osvaldo; Botbol, Jose.

    1989-01-01

    Potassium fluorotitanate dissolved in fused sodium chloride or potassium chloride may be electrolyzed under an inert gas atmosphere. Solid electrolysis products are formed on the cathode which contains titanium metal, sodium chloride, lower fluorotitanates and small quantities of alkali metal fluorotitanate. The extraction of titanium from the electrolysis products may be carried out by aqueous leaching (removal of chloride salts of alkali metals and a certain amount of fluorotitanates). Titanium metal obtained is relatively pure. (Author)

  5. Machinability evaluation of titanium alloys.

    Science.gov (United States)

    Kikuchi, Masafumi; Okuno, Osamu

    2004-03-01

    In the present study, the machinability of titanium, Ti-6Al-4V, Ti-6A1-7Nb, and free-cutting brass was evaluated using a milling machine. The metals were slotted with square end mills under four cutting conditions. The cutting force and the rotational speed of the spindle were measured. The cutting forces for Ti-6Al-4V and Ti-6Al-7Nb were higher and that for brass was lower than that for titanium. The rotational speed of the spindle was barely affected by cutting. The cross sections of the Ti-6Al-4V and Ti-6Al-7Nb chips were more clearly serrated than those of titanium, which is an indication of difficult-to-cut metals. There was no marked difference in the surface roughness of the cut surfaces among the metals. Cutting force and the appearance of the metal chips were found to be useful as indices of machinability and will aid in the development of new alloys for dental CAD/CAM and the selection of suitable machining conditions.

  6. Cranioplasty with individual titanium implants

    Science.gov (United States)

    Mishinov, S.; Stupak, V.; Sadovoy, M.; Mamonova, E.; Koporushko, N.; Larkin, V.; Novokshonov, A.; Dolzhenko, D.; Panchenko, A.; Desyatykh, I.; Krasovsky, I.

    2017-09-01

    Cranioplasty is the second procedure in the history of neurosurgery after trepanation, and it is still relevant despite the development of civilization and progress in medicine. Each cranioplasty operation is unique because there are no two patients with identical defects of the skull bones. The development of Direct Metal Laser Sintering (DMLS) technique opened up the possibility of direct implant printing of titanium, a biocompatible metal used in medicine. This eliminates the need for producing any intermediate products to create the desired implant. We have produced 8 patient-specific titanium implants using this technique for patients who underwent different decompressive cranioectomies associated with bone tumors. Follow-up duration ranged from 6 to 12 months. We observed no implant-related reactions or complications. In all cases of reconstructive neurosurgery we achieved good clinical and aesthetic results. The analysis of the literature and our own experience in three-dimensional modeling, prototyping, and printing suggests that direct laser sintering of titanium is the optimal method to produce biocompatible surgical implants.

  7. Method for producing titanium aluminide weld rod

    Science.gov (United States)

    Hansen, Jeffrey S.; Turner, Paul C.; Argetsinger, Edward R.

    1995-01-01

    A process for producing titanium aluminide weld rod comprising: attaching one end of a metal tube to a vacuum line; placing a means between said vacuum line and a junction of the metal tube to prevent powder from entering the vacuum line; inducing a vacuum within the tube; placing a mixture of titanium and aluminum powder in the tube and employing means to impact the powder in the tube to a filled tube; heating the tube in the vacuum at a temperature sufficient to initiate a high-temperature synthesis (SHS) reaction between the titanium and aluminum; and lowering the temperature to ambient temperature to obtain a intermetallic titanium aluminide alloy weld rod.

  8. Titanium alloys Russian aircraft and aerospace applications

    CERN Document Server

    Moiseyev, Valentin N

    2005-01-01

    This text offers previously elusive information on state-of-the-art Russian metallurgic technology of titanium alloys. It details their physical, mechanical, and technological properties, as well as treatments and applications in various branches of modern industry, particularly aircraft and aerospace construction. Titanium Alloys: Russian Aircraft and Aerospace Applications addresses all facets of titanium alloys in aerospace and aviation technology, including specific applications, fundamentals, composition, and properties of commercial alloys. It is useful for all students and researchers interested in the investigation and applications of titanium.

  9. Appcelerator Titanium patterns and best practices

    CERN Document Server

    Pollentine, Boydlee

    2013-01-01

    The book takes a step-by-step approach to help you understand CommonJS and Titanium architecture patterns, with easy to follow samples and plenty of in-depth explanations If you're an existing Titanium developer or perhaps a new developer looking to start off your Titanium applications "the right way", then this book is for you. With easy to follow examples and a full step-by-step account of architecting a sample application using CommonJS and MVC, along with chapters on new features such as ACS, you'll be implementing enterprise grade Titanium solutions in no time. You should have some JavaSc

  10. Titanium Matrix Composite Pressure Vessel, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — For over 15 years, FMW Composite Systems has developed Metal Matrix Composite manufacturing methodologies for fabricating silicon-carbide-fiber-reinforced titanium...

  11. Titanium Matrix Composite Pressure Vessel Project

    Data.gov (United States)

    National Aeronautics and Space Administration — For over 15 years, FMW Composite Systems has developed Metal Matrix Composite manufacturing methodologies for fabricating silicon-carbide-fiber-reinforced titanium...

  12. 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

  13. 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.

  14. 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

  15. 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.

  16. 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, ...

  17. 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.

  18. 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.

  19. 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 ...

  20. 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)

  1. 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.

  2. 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.

  3. 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...

  4. 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 ...

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. 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

  14. 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

  15. 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.))

  16. 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.

  17. 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

  18. 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.

  19. 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

  20. 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

  1. 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.

  2. Low temperature study of nonstoichiometric titanium carbide

    International Nuclear Information System (INIS)

    Tashmetov, M.Yu.

    2005-05-01

    By low temperature neutron diffraction method was studied structure in nonstoichiometric titanium carbide from room temperature up to 12K. It is found of low temperature phase in titanium carbide- TiC 0.71 . It is established region and borders of this phase. It is determined change of unit cell parameter. (author)

  3. Corrosion comparisons between zirconium and titanium

    International Nuclear Information System (INIS)

    Yau Telin

    1992-01-01

    Zirconium and titanium are regarded as sister metals with excellent resistance to many corrosives. While these metals exhibit some similar corrosion properties, this paper discusses several major differences. The differences are found in chloride-free acids, acidic chloride solutions, salt solutions, alkaline solutions and organics. They are caused by the differences between the protective oxide films of zirconium and titanium. (orig.) [de

  4. Mineral resource of the month: titanium

    Science.gov (United States)

    Gambogi, Joseph

    2011-01-01

    Titanium is hip - at least when it comes to airplanes and jewelry. Known for its high strength-to weight ratio and its resistance to corrosion, titanium and its alloys can also be found in everything from knee replacements to eyeglass frames to baseball bats to fighter planes.

  5. Thermoexpanded graphite modification by titanium dioxide

    International Nuclear Information System (INIS)

    Semko, L.S.; Gorbik, P.P.; Chujko, O.O.; Kruchek, Ya.Yi.; Dzyubenko, L.S.; Orans'ka, O.Yi.

    2006-01-01

    A method of the synthesis of thermoexpanded graphite (TEG) powders coated by titanium dioxide is developed. The conversion of n-buthylorthotitanate into TiO 2 on the TEG surface is investigated. The optimal parameters of the synthesis and the structure of titanium dioxide clusters on the TEG surface are determined

  6. Appcelerator Titanium business application development cookbook

    CERN Document Server

    Bahrenberg, Benjamin

    2013-01-01

    Presented in easy to follow, step by step recipes, this guide is designed to lead you through the most important aspects of application design.Titanium developers who already have a basic knowledge of working with Appcelerator Titanium but want to further develop their knowledge for use with business applications

  7. 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.

  8. 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)

  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. Mechanical properties of biomedical titanium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Niinomi, M. [Toyohashi Univ. of Technol. (Japan). Sch. of Production Syst. Eng.

    1998-03-15

    Titanium alloys are expected to be much more widely used for implant materials in the medical and dental fields because of their superior biocompatibility, bioaffinity, corrosion resistance and specific strength compared with other metallic implant materials. Pure titanium and Ti-6Al-4V, in particular, Ti-6Al-4V ELI have been, however, mainly used for implant materials among various titanium alloys to date. V free alloys like Ti-6Al-7Nb and Ti-5Al-2.5Fe have been recently developed for biomedical use. More recently V and Al free alloys have been developed. Titanium alloys composed of non-toxic elements like Nb, Ta, Zr and so on with lower modulus have been started to be developed mainly in the USA. The {beta} type alloys are now the main target for medical materials. The mechanical properties of the titanium alloys developed for implant materials to date are described in this paper. (orig.) 17 refs.

  12. Welding and Joining of Titanium Aluminides

    Science.gov (United States)

    Cao, Jian; Qi, Junlei; Song, Xiaoguo; Feng, Jicai

    2014-01-01

    Welding and joining of titanium aluminides is the key to making them more attractive in industrial fields. The purpose of this review is to provide a comprehensive overview of recent progress in welding and joining of titanium aluminides, as well as to introduce current research and application. The possible methods available for titanium aluminides involve brazing, diffusion bonding, fusion welding, friction welding and reactive joining. Of the numerous methods, solid-state diffusion bonding and vacuum brazing have been most heavily investigated for producing reliable joints. The current state of understanding and development of every welding and joining method for titanium aluminides is addressed respectively. The focus is on the fundamental understanding of microstructure characteristics and processing–microstructure–property relationships in the welding and joining of titanium aluminides to themselves and to other materials. PMID:28788113

  13. Stress-corrosion cracking of titanium alloys.

    Science.gov (United States)

    Blackburn, M. J.; Feeney, J. A.; Beck, T. R.

    1973-01-01

    In the light of research material published up to May 1970, the current understanding of the experimental variables involved in the stress-corrosion cracking (SCC) behavior of titanium and its alloys is reviewed. Following a brief summary of the metallurgy and electrochemistry of titanium alloys, the mechanical, electrochemical, and metallurgical parameters influencing SCC behavior are explored with emphasis on crack growth kinetics. Macro- and microfeatures of fractures are examined, and it is shown that many transgranular SCC failures exhibit morphological and crystallographic features similar to mechanical cleavage failures. Current SCC models are reviewed with respect to their ability to explain the observed SCC behavior of titanium and its alloys. Possible methods for eliminating or minimizing stress corrosion hazards in titanium or titanium alloy components are described.

  14. The present status of dental titanium casting

    Science.gov (United States)

    Okabe, Toru; Ohkubo, Chikahiro; Watanabe, Ikuya; Okuno, Osamu; Takada, Yukyo

    1998-09-01

    Experimentation in all aspects of titanium casting at universities and industries throughout the world for the last 20 years has made titanium and titanium-alloy casting nearly feasible for fabricating sound cast dental prostheses, including crowns, inlays, and partial and complete dentures. Titanium casting in dentistry has now almost reached the stage where it can seriously be considered as a new method to compete with dental casting using conventional noble and base-metal alloys. More than anything else, the strength of titanium’s appeal lies in its excellent biocompatibility, coupled with its comparatively low price and abundant supply. Research efforts to overcome some problems associated with this method, including studies on the development of new titanium alloys suitable for dental use, will continue at many research sites internationally.

  15. Welding and Joining of Titanium Aluminides

    Directory of Open Access Journals (Sweden)

    Jian Cao

    2014-06-01

    Full Text Available Welding and joining of titanium aluminides is the key to making them more attractive in industrial fields. The purpose of this review is to provide a comprehensive overview of recent progress in welding and joining of titanium aluminides, as well as to introduce current research and application. The possible methods available for titanium aluminides involve brazing, diffusion bonding, fusion welding, friction welding and reactive joining. Of the numerous methods, solid-state diffusion bonding and vacuum brazing have been most heavily investigated for producing reliable joints. The current state of understanding and development of every welding and joining method for titanium aluminides is addressed respectively. The focus is on the fundamental understanding of microstructure characteristics and processing–microstructure–property relationships in the welding and joining of titanium aluminides to themselves and to other materials.

  16. 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.

  17. 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.

  18. Adsorption of hydrogen in titanium

    International Nuclear Information System (INIS)

    Martinez R, T.

    1995-01-01

    In this work the absorption of hydrogen in titanium plates using a constant volume system has been realized. The changes of temperature and pressure were used to monitor the progress of the absorption. A stainless steel vacuum chamber with volume of 4,333 cm 3 was used. A titanium sample of 45 x 5.4 x 0.3 cm was located in the center of the chamber. The sample was heated by an electrical source connected to the system. The sample was preconditioned with a vacuum-thermal treatment at 10 -6 mbar and 800 Centigrade degrees for several days. Absorption was observed at room temperature and also at higher temperatures. The room temperature absorption was in the pressure range of 1.0 x 10 3 to 2.5 x 10 3 mbar, and other absorptions were from 180 to 630 Centigrade degrees at 3.5 x 10 -1 to 1.3 x 10 3 mbar. It was found that the gas absorbed was function of the vacuum-thermal pre-conditioned treatment, pressure and temperature. When the first absorption was developed, additional absorptions were realized in short time. We measured the electrical resistivity of the sample in the experiments but we could not see important changes due to the absorption. (Author)

  19. 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.

  20. Isothermal deformation of gamma titanium aluminide

    International Nuclear Information System (INIS)

    Srinivasan, R.; Singh, J.P.; Tuval, E.; Weiss, I.

    1996-01-01

    Gamma titanium aluminide has received considerable attention in recent years from the automotive industry as a potential material for making rotating and reciprocating components to produce a quieter and more efficient engine. The objectives of this study were to identify processing routes for the manufacture of automobile valves from gamma titanium aluminide. The issues considered were microstructure and composition of the material, and processing parameters such as deformation rates, temperatures, and total deformation. This paper examines isothermal deformation of gamma titanium aluminide in order to develop a processing window for this type of material

  1. Clinical bending of nickel titanium wires

    Directory of Open Access Journals (Sweden)

    Stephen Chain

    2015-01-01

    Full Text Available Since the evolution and the involvement of Nickel Titanium wires in the field of Orthodontics. The treatment plan has evolved with the use of low force Nickel Titanium wires. Because of their high springback, low stiffness, they are the key initial wires in leveling and alignment but have poor formability. Since poor formability limits its ability to create variable arch forms thus; limits the form of treatment. We have devised a method to bend the Nickel Titanium wires to help in our inventory but also customized the wire according to the treatment.

  2. Titanium exposure and yellow nail syndrome

    Directory of Open Access Journals (Sweden)

    Ali Ataya

    2015-01-01

    Full Text Available Yellow nail syndrome is a rare disease of unclear etiology. We describe a patient who develops yellow nail syndrome, with primary nail and sinus manifestations, shortly after amalgam dental implants. A study of the patient's nail shedding showed elevated nail titanium levels. The patient had her dental implants removed and had complete resolution of her sinus symptoms with no change in her nail findings. Since the patient's nail findings did not resolve we do not believe titanium exposure is a cause of her yellow nail syndrome but perhaps a possible relationship exists between titanium exposure and yellow nail syndrome that requires further studies.

  3. Current assisted superplastic forming of titanium alloy

    Directory of Open Access Journals (Sweden)

    Wang Guofeng

    2015-01-01

    Full Text Available Current assisted superplastic forming combines electric heating technology and superplastic forming technology, and can overcome some shortcomings of traditional superplastic forming effectively, such as slow heating rate, large energy loss, low production efficiency, etc. Since formability of titanium alloy at room temperature is poor, current assisted superplastic forming is suitable for titanium alloy. This paper mainly introduces the application of current assisted superplastic forming in the field of titanium alloy, including forming technology of double-hemisphere structure and bellows.

  4. Stress corrosion cracking of titanium alloys

    Science.gov (United States)

    Statler, G. R.; Spretnak, J. W.; Beck, F. H.; Fontana, M. G.

    1974-01-01

    The effect of hydrogen on the properties of metals, including titanium and its alloys, was investigated. The basic theories of stress corrosion of titanium alloys are reviewed along with the literature concerned with the effect of absorbed hydrogen on the mechanical properties of metals. Finally, the basic modes of metal fracture and their importance to this study is considered. The experimental work was designed to determine the effects of hydrogen concentration on the critical strain at which plastic instability along pure shear directions occurs. The materials used were titanium alloys Ti-8Al-lMo-lV and Ti-5Al-2.5Sn.

  5. Titanium

    DEFF Research Database (Denmark)

    Fage, Simon W; Muris, Joris; Jakobsen, Stig S

    2016-01-01

    most of the studies reviewed have important limitations, Ti seems not to penetrate a competent skin barrier, either as pure Ti, alloy, or as Ti oxide NPs. However, there are some indications of Ti penetration through the oral mucosa. We conclude that patch testing with the available Ti preparations...... evaluation. Reports on clinical allergy and adverse events have rarely been published. Whether this is because of unawareness of possible adverse reactions to this specific metal, difficulties in detection methods, or the metal actually being relatively safe to use, is still unresolved....

  6. 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.

  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. 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...

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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)].

  17. 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

  18. 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.

  19. Low-valent pentafulvene titanium dinitrogen complex as a precursor for cationic titanium complexes

    NARCIS (Netherlands)

    Scherer, Axel; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Meetsma, Auke; Bouwkamp, Marco W.; Beckhaus, Rüdiger

    2009-01-01

    Treatment of titanium dinitrogen complex [Cp*(eta(6)-C(5)H(4)=C(10)H(14))Ti](2)(mu-N(2)) (1) with ferrocenium borate, [Cp(2)Fe][BPh(4)], in THF results in oxidation of the titanium center, affording the titanium(IV) pentafulvene compound [Cp*(eta(6)-C(5)H(4)=C(10)H(14))Ti(THF)][BPh(4)] (2).

  20. Gentamicin-Eluting Titanium Dioxide Nanotubes Grown on the Ultrafine-Grained Titanium.

    Science.gov (United States)

    Nemati, Sima Hashemi; Hadjizadeh, Afra

    2017-08-01

    Titanium (Ti)-based materials is the most appropriate choices for the applications as orthopedic and dental implants. In this regard, ultrafine-grained (UFG) titanium with an enhanced mechanical properties and surface energy has attracted more attention. Titanium dioxide (TiO 2 ) nanotubes grown on the titanium could enhance bone bonding, cellular response and are good reservoirs for loading drugs and antibacterial agents. This article investigates gentamicin loading into and release from the TiO 2 nanotubes, grown on the UFG compared to coarse-grained (CG) titanium substrate surfaces. Equal Channel Angular Pressing (ECAP) was employed to produce the UFG structure titanium. TiO 2 nanotubes were grown by the anodizing technique on both UFG and CG titanium substrate surfaces. Scanning electron microscopy (SEM) imaging confirmed TiO 2 nanotube growth on the surface. The UV-vis spectroscopy analysis results show that the amount of gentamicin load-release in the anodized UFG titanium sample is higher than that of CG one which can be explained in terms of thicker TiO 2 nanotube arrays layer formed on UFG sample. Moreover, the anodized UFG titanium samples released the drug in a longer time than CG (1 day for the UFG titanium vs. 3 h for the CG one). Regarding wettability analysis, anodized UFG titanium sample showed more enhanced hydrophilicity than CG counterpart. Therefore, the significantly smaller grain size of pure titanium provided by the ECAP technique coupled with appropriate subsequent anodization treatment not only offers a good combination of biocompatibility and adequate mechanical properties but also it provides a delayed release condition for gentamicin.

  1. 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)

  2. 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.

  3. 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.

  4. 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. ...

  5. 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.

  6. 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].

  7. 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.

  8. 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...

  9. 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...

  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. 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.

  12. 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.

  13. 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).

  14. 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) ...

  15. 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.

  16. Synthesis of Titanium Oxycarbide from Titanium Slag by Methane-Containing Gas

    Science.gov (United States)

    Dang, Jie; Fatollahi-Fard, Farzin; Pistorius, Petrus Christiaan; Chou, Kuo-Chih

    2018-02-01

    In this study, reaction steps of a process for synthesis of titanium oxycarbide from titanium slag were demonstrated. This process involves the reduction of titanium slag by a methane-hydrogen-argon mixture at 1473 K (1200 °C) and the leaching of the reduced products by hydrofluoric acid near room temperature to remove the main impurity (Fe3Si). Some iron was formed by disproportionation of the main M3O5 phase before gaseous reduction started. Upon reduction, more iron formed first, followed by reduction of titanium dioxide to suboxides and eventually oxycarbide.

  17. Effect of plasma nitriding and titanium nitride coating on the corrosion resistance of titanium.

    Science.gov (United States)

    Wang, Xianli; Bai, Shizhu; Li, Fang; Li, Dongmei; Zhang, Jing; Tian, Min; Zhang, Qian; Tong, Yu; Zhang, Zichuan; Wang, Guowei; Guo, Tianwen; Ma, Chufan

    2016-09-01

    The passive film on the surface of titanium can be destroyed by immersion in a fluoridated acidic medium. Coating with titanium nitride (TiN) may improve the corrosion resistance of titanium. The purpose of this in vitro study was to investigate the effect of duplex treatment with plasma nitriding and TiN coating on the corrosion resistance of cast titanium. Cast titanium was treated with plasma nitriding and TiN coating. The corrosion resistance of the duplex-treated titanium in fluoride-containing artificial saliva was then investigated through electrochemical and immersion tests. The corroded surface was characterized by scanning electron microscopy (SEM) with energy-dispersive spectroscopy surface scan analysis. The data were analyzed using ANOVA (α=.05) RESULTS: Duplex treatment generated a dense and uniform TiN film with a thickness of 4.5 μm. Compared with untreated titanium, the duplex-treated titanium displayed higher corrosion potential (Ecorr) values (Pcorrosion current density (Icorr) values (Pcorrosion resistance of cast titanium in a fluoride-containing environment. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

  18. 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

  19. Titanium Aluminide Casting Technology Development

    Science.gov (United States)

    Bünck, Matthias; Stoyanov, Todor; Schievenbusch, Jan; Michels, Heiner; Gußfeld, Alexander

    2017-12-01

    Titanium aluminide alloys have been successfully introduced into civil aircraft engine technology in recent years, and a significant order volume increase is expected in the near future. Due to its beneficial buy-to-fly ratio, investment casting bears the highest potential for cost reduction of all competing production technologies for TiAl-LPTB. However, highest mechanical properties can be achieved by TiAl forging. In view of this, Access e.V. has developed technologies for the production of TiAl investment cast parts and TiAl die cast billets for forging purposes. While these parts meet the highest requirements, establishing series production and further optimizing resource and economic efficiency are present challenges. In order to meet these goals, Access has recently been certified according to aircraft standards, aiming at qualifying parts for production on technology readiness level 6. The present work gives an overview of the phases of development and certification.

  20. Neutron scattering and models: Titanium

    Energy Technology Data Exchange (ETDEWEB)

    Smith, A.B.

    1997-07-01

    Differential neutron elastic-scattering cross sections of elemental titanium were measured from 4.5 {r_arrow} 10.0 MeV in incident energy increments of {approx} 0.5 MeV. At each energy the measurements were made at forty or more scattering angles distributed between {approx} 17 and 160{degree}. Concurrently, differential neutron inelastic-scattering cross sections were measured for observed excitations of 0.975 {+-} 0.034, 1.497 {+-} 0.033, 2.322 {+-} 0.058, 3.252 {+-} 0.043, 3.700 {+-} 0.093, 4.317 {+-} 0.075 and 4.795 {+-} 0.100 MeV. All of the observed inelastically-scattered neutron groups were composites of contributions from several isotopes and/or levels. The experimental results were used to develop energy-average optical, statistical and coupled-channels models.

  1. Erbium diffusion in titanium dioxide

    Directory of Open Access Journals (Sweden)

    Louise Basse

    2017-04-01

    Full Text Available The diffusivity of erbium in the anatase phase of titanium dioxide (TiO2 has been studied for various temperatures ranging from 800 °C to 1, 000 °C. Samples of TiO2, with a 10 nm thick buried layer containing 0.5 at% erbium, were fabricated by radio-frequency magnetron sputtering and subsequently heat treated. The erbium concentration profiles were measured by secondary ion mass spectrometry, allowing for determination of the temperature-dependent diffusion coefficients. These were found to follow an Arrhenius law with an activation energy of ( 2.1 ± 0.2 eV. X-ray diffraction revealed that the TiO2 films consisted of polycrystalline grains of size ≈ 100 nm.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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)

  8. 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.

  9. 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.

  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. Titanium Heat Pipe Thermal Plane, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Thermacore Inc. proposes an innovative titanium heat pipe thermal plane for passive thermal control of individual cells within a fuel cell stack. The proposed...

  18. Corrosion resistance of titanium alloys for dentistry

    International Nuclear Information System (INIS)

    Laskawiec, J.; Michalik, R.

    2001-01-01

    Titanium and its alloys belong to biomaterials which the application scope in medicine increases. Some properties of the alloys, such as high mechanical strength, low density, low Young's modulus, high corrosion resistance and good biotolerance decide about it. The main areas of the application of titanium and its alloys are: orthopedics and traumatology, cardiosurgery, faciomaxillary surgery and dentistry. The results of investigations concerning the corrosion resistance of the technical titanium and Ti6Al14V alloy and comparatively a cobalt alloy of the Vitallium type in the artificial saliva is presented in the work. Significantly better corrosion resistance of titanium and the Ti6Al14V than the Co-Cr-Mo alloy was found. (author)

  19. Titanium nitride nanoparticles for therapeutic applications

    DEFF Research Database (Denmark)

    Guler, Urcan; Kildishev, Alexander V.; Boltasseva, Alexandra

    2014-01-01

    Titanium nitride nanoparticles exhibit plasmonic resonances in the biological transparency window where high absorption efficiencies can be obtained with small dimensions. Both lithographic and colloidal samples are examined from the perspective of nanoparticle thermal therapy. © 2014 OSA....

  20. Titanium Nanocomposite: Lightweight Multifunction Structural Material

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose to research and develop lightweight metal matrix nanocomposites (MMnC) using a Titanium (Ti) metal matrix. Ti MMnC will crosscut the advancement of both...

  1. Titanium Heat Pipe Thermal Plane, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The objective of the Phase II program is to complete the development of the titanium heat pipe thermal plane and establish all necessary steps for production of this...

  2. Titanium Brazing for Structures and Survivability

    National Research Council Canada - National Science Library

    Doherty, Kevin J; Tice, Jason R; Szewczyk, Steven T; Glide, Gary A

    2007-01-01

    Titanium is a candidate as a structural material for all new tactical and armored ground vehicles, because of its high strength-to-weight ratio, excellent corrosion resistance, and inherent ballistic resistance...

  3. Interfacial reactions between titanium and borate glass

    Energy Technology Data Exchange (ETDEWEB)

    Brow, R.K. [Sandia National Labs., Albuquerque, NM (United States); Saha, S.K.; Goldstein, J.I. [Lehigh Univ., Bethlehem, PA (United States). Dept. of Materials Science

    1992-12-31

    Interfacial reactions between melts of several borate glasses and titanium have been investigated by analytical scanning electron microscopy (SEM) and x-ray photoelectron spectroscopy (XPS). A thin titanium boride interfacial layer is detected by XPS after short (30 minutes) thermal treatments. ASEM analyses after longer thermal treatments (8--120 hours) reveal boron-rich interfacial layers and boride precipitates in the Ti side of the interface.

  4. Free Form Low Cost Fabrication Using Titanium

    Science.gov (United States)

    2007-06-29

    better than that of austenitic or ferritic stainless. Alloys can have ultimate strengths comparable to iron base superalloys , such as A286, or cobalt ...nickel-base superalloys . "* The tensile strength as an alloy of titanium can be comparable to that of lower-strength marterisitic stainless and is...approximately four times that of stainless steel, is comparable to that of superalloys . "* Titanium is exceptionally corrosion resistant. It often exceeds the

  5. Progress in Titanium Metal Powder Injection Molding

    OpenAIRE

    German, Randall M.

    2013-01-01

    Metal powder injection molding is a shaping technology that has achieved solid scientific underpinnings. It is from this science base that recent progress has occurred in titanium powder injection molding. Much of the progress awaited development of the required particles with specific characteristics of particle size, particle shape, and purity. The production of titanium components by injection molding is stabilized by a good understanding of how each process variable impacts density and im...

  6. PRODUCTION OF WELDMENTS FROM SINTERED TITANIUM ALLOYS

    Directory of Open Access Journals (Sweden)

    A. YE. Kapustyan

    2014-04-01

    Full Text Available Purpose. Limited application of details from powder titanium alloys is connected with the difficulties in obtaining of long-length blanks, details of complex shape and large size. We can solve these problems by applying the welding production technology. For this it is necessary to conduct a research of the structure and mechanical properties of welded joints of sintered titanium alloys produced by flash welding. Methodology. Titanium industrial powders, type PT5-1 were used as original substance. Forming of blanks, whose chemical composition corresponded to BT1-0 alloy, was carried out using the powder metallurgy method. Compounds were obtained by flash welding without preheating. Microstructural investigations and mechanical tests were carried out. To compare the results investigations of BT1-0 cast alloy were conducted. Findings. Samples of welded joints of sintered titanium blanks from VT1-0 alloy using the flash butt welding method were obtained. During welding the microstructure of basic metal consisting of grains of an a-phase, with sizes 40...70 mkm, is transformed for the seam weld and HAZ into the lamellar structure of an a-phase. The remaining pores in seam weld were practically absent; in the HAZ their size was up to 2 mkm, with 30 mkm in the basic metal. Attainable level of mechanical properties of the welded joint in sintered titanium alloys is comparable to the basic metal. Originality. Structure qualitative changes and attainable property complex of compounds of sintered titanium alloys, formed as a result of flash butt welding were found out. Practical value. The principal possibility of high-quality compounds obtaining of sintered titanium alloys by flash welding is shown. This gives a basis for wider application of sintered titanium alloys due to long-length blanks production that are correspond to deformable strand semi finished product.

  7. Amorphouslike diffraction pattern in solid metallic titanium

    DEFF Research Database (Denmark)

    Wang, Y.; Fang, Y.Z.; Kikegawa, T.

    2005-01-01

    Amorphouslike diffraction patterns of solid elemental titanium have been detected under high pressure and high temperature using in situ energy-dispersive x-ray diffraction and a multianvil press. The onset pressure and the temperature of formation of amorphous titanium is found to be close...... for preparing single-element bulk amorphous metals. The results reported may open a new way to preparing single-element bulk amorphous metals with a high thermal stability....

  8. Backscatter radiation at tissue-titanium interfaces

    International Nuclear Information System (INIS)

    Rosengren, B.; Wulff, L.; Carlsson, E.; Carlsson, J.; Strid, K.G.; Montelius, A.

    1993-01-01

    The induced secondary electrons from a metal surface by diagnostic X-rays are thought to contribute to cell damage near the tissue-metal boundaries of metal implants. Titanium implants are becoming increasingly more popular for tissue reconstructions and it is rather often desirable to take radiographs of the operated area. In this study we compared the biological effects of radiation on cultured mammalian test cells grown on titanium plates with the radiation effects on cells that were grown on plastic control plates. In order to study the acute radiation effects on cell growth it was necessary to work with rather high radiation doses (0.7-5 Gy). Photon energies, suitable for diagnostic radiography in odontology, 65 kV, were applied. We found that the cells grown on titanium plates were, in terms of the applied dose in the surrounding culture medium, more sensitive to the irradiations than the cells growing on plastic plates. The survival curve for the cells on titanium had a steeper slope, showed no shoulder in the low-dose region and looked like curves normally obtained for high LET radiation. It was not possible to resolve to what degree the titanium-dependent changes were due to an increased dose near the titanium surface or to a change in the radiobiological effectiveness. Although there was a significant decrease in cellular survival near the metal, postoperative intraoral radiography after titanium implantations need not be excluded. The maximal doses given in odontological X-ray examinations are less than 1 mGy and, if the results in this study are applied, the biological effects near the titanium implant will correspond to biological effects in soft tissue of doses less than 20 mGy which is lower than the doses that give acute effects. The risk of acute healing disturbances are significant only at much higher radiation doses. (orig.)

  9. Hydrocarbon Deposition Attenuates Osteoblast Activity on Titanium

    Science.gov (United States)

    Hayashi, R.; Ueno, T.; Migita, S.; Tsutsumi, Y.; Doi, H.; Ogawa, T.; Hanawa, T.; Wakabayashi, N.

    2014-01-01

    Although the reported percentage of bone-implant contact is far lower than 100%, the cause of such low levels of bone formation has rarely been investigated. This study tested the negative biological effect of hydrocarbon deposition onto titanium surfaces, which has been reported to be inevitable. Osteogenic MC3T3-E1 cells were cultured on titanium disks on which the carbon concentration was experimentally regulated to achieve carbon/titanium (C/Ti) ratios of 0.3, 0.7, and 1.0. Initial cellular activities such as cell attachment and cell spreading were concentration-dependently suppressed by the amount of carbon on the titanium surface. The osteoblastic functions of alkaline phosphatase activity and calcium mineralization were also reduced by more than 40% on the C/Ti (1.0) surface. These results indicate that osteoblast activity is influenced by the degree of hydrocarbon contamination on titanium implants and suggest that hydrocarbon decomposition before implant placement may increase the biocompatibility of titanium. PMID:24868012

  10. The effect of titanium surface treatment on the interfacial strength of titanium – Thermoplastic composite joints

    NARCIS (Netherlands)

    Su, Yibo; de Rooij, Matthijn; Grouve, Wouter; Akkerman, Remko

    2017-01-01

    Co-consolidated titanium – carbon fibre reinforced thermoplastic composite hybrid joints show potential for application in aerospace structures. The strength of the interface between the titanium and the thermoplastic composite is crucial for the strength of the entire hybrid joint. Application of a

  11. Artefacts in multimodal imaging of titanium, zirconium and binary titanium-zirconium alloy dental implants: an in vitro study.

    Science.gov (United States)

    Smeets, Ralf; Schöllchen, Maximilian; Gauer, Tobias; Aarabi, Ghazal; Assaf, Alexandre T; Rendenbach, Carsten; Beck-Broichsitter, Benedicta; Semmusch, Jan; Sedlacik, Jan; Heiland, Max; Fiehler, Jens; Siemonsen, Susanne

    2017-02-01

    To analyze and evaluate imaging artefacts induced by zirconium, titanium and titanium-zirconium alloy dental implants. Zirconium, titanium and titanium-zirconium alloy implants were embedded in gelatin and MRI, CT and CBCT were performed. Standard protocols were used for each modality. For MRI, line-distance profiles were plotted to quantify the accuracy of size determination. For CT and CBCT, six shells surrounding the implant were defined every 0.5 cm from the implant surface and histogram parameters were determined for each shell. While titanium and titanium-zirconium alloy induced extensive signal voids in MRI owing to strong susceptibility, zirconium implants were clearly definable with only minor distortion artefacts. For titanium and titanium-zirconium alloy, the MR signal was attenuated up to 14.1 mm from the implant. In CT, titanium and titanium-zirconium alloy resulted in less streak artefacts in comparison with zirconium. In CBCT, titanium-zirconium alloy induced more severe artefacts than zirconium and titanium. MRI allows for an excellent image contrast and limited artefacts in patients with zirconium implants. CT and CBCT examinations are less affected by artefacts from titanium and titanium-zirconium alloy implants compared with MRI. The knowledge about differences of artefacts through different implant materials and image modalities might help support clinical decisions for the choice of implant material or imaging device in the clinical setting.

  12. Will nonaerospace applications for titanium ever grow?

    Science.gov (United States)

    Katrak, Firoze E.; Servi, I. S.; Agarwal, J. C.

    1991-07-01

    Confronted with the currently attractive aerospace markets, titanium producers could choose to minimize their promotional effort in the nonaerospace sector. In such a case, primary producers would continue to give some support to a few nonaerospace market segments but would minimize product and market development in most other areas. Such a modus operandi is quite likely, in which case the 1990s may turn out to be as disappointing for the industrial application of titanium as were the 1980s. Such a trend is not desirable for titanium producers for two reasons: the military aerospace market is likely to shrink in the future,8 and the titanium content of commercial jet engines will decline.9 Thus, titanium producers need to adopt a strategy to increase nonaerospace applications. Such a strategy must accomplish at least the following: • Commit to reducing titanium mill product costs. • Convince potential users that titanium (sponge and) mill products will be available at a sustained cost much below the current cost. No radically new technologies are necessaryzzto meet the target sponge costs (i.e., the current processes can meet cost targets with plant and practice changes). • Begin developing new alloys specifically tailored to nonaerospace applications and lower-cost mill products. If and when new alloys become available, the potential growth in nonaerospace uses would be greater than the 1-10-100 rule, which applies to existing commercially pure titanium. • Work toward reducing value-added component costs by achieving cost reductions in secondary fabrication for selected niche applications. • Offer application engineering and technical support services, including the establishment of training centers (e.g., for field welding). • Develop estimates of cost effectiveness in target applications that will convince the users. If a strategy incorporating these elements is not adopted by titanium producers because of the short-term strength of aerospace demand

  13. 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.

  14. The Equilibrium Between Titanium Ions and Titanium Metal in NaCl-KCl Equimolar Molten Salt

    Science.gov (United States)

    Wang, Qiuyu; Song, Jianxun; Hu, Guojing; Zhu, Xiaobo; Hou, Jungang; Jiao, Shuqiang; Zhu, Hongmin

    2013-08-01

    The equilibrium between metallic titanium and titanium ions, 3Ti2+ ⇌ 2Ti3+ + Ti, in NaCl-KCl equimolar molten salt was reevaluated. At a fixed temperature and an initial concentration of titanium chloride, the equilibrium was achieved by adding an excess amount of sponge titanium in assistant with bubbling of argon into the molten salt. The significance of this work is that the accurate concentrations of titanium ions have been obtained based on a reliable approach for taking samples. Furthermore, the equilibrium constant {{K}}_{{C}} = (x_{{{{Ti}}^{{ 3 { + }}} }}^{{eql}} )3 /(x_{{{{Ti}}^{{ 2 { + }}} }}^{{eql}} )2 was calculated through the best-fitting method under the consideration of the TiOCl dissolution. Indeed, the final results have disclosed that the stable value of KC could be achieved based on all modifications.

  15. 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.

  16. Creating nanoshell on the surface of titanium hydride bead

    Directory of Open Access Journals (Sweden)

    PAVLENKO Vyacheslav Ivanovich

    2016-12-01

    Full Text Available The article presents data on the modification of titanium hydride bead by creating titanium nanoshell on its surface by ion-plasma vacuum magnetron sputtering. To apply titanium nanoshell on the titanium hydride bead vacuum coating plant of multifunctional nanocomposite coatings QVADRA 500 located in the center of high technology was used. Analysis of the micrographs of the original surface of titanium hydride bead showed that the microstructure of the surface is flat, smooth, in addition the analysis of the microstructure of material surface showed the presence of small porosity, roughness, mainly cavities, as well as shallow longitudinal cracks. The presence of oxide film in titanium hydride prevents the free release of hydrogen and fills some micro-cracks on the surface. Differential thermal analysis of both samples was conducted to determine the thermal stability of the initial titanium hydride bead and bead with applied titanium nanoshell. Hydrogen thermal desorption spectra of the samples of the initial titanium hydride bead and bead with applied titanium nanoshell show different thermal stability of compared materials in the temperature range from 550 to 860о C. Titanium nanoshells applied in this way allows increasing the heat resistance of titanium hydride bead – the temperature of starting decomposition is 695о C and temperature when decomposition finishes is more than 1000о C. Modified in this way titanium hydride bead can be used as a filler in the radiation protective materials used in the construction or upgrading biological protection of nuclear power plants.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. Fatigue Behavior of a Functionally-Graded Titanium Matrix Composite

    National Research Council Canada - National Science Library

    Cunningham, Scott R

    2005-01-01

    Functionally-graded Titanium Matrix Composites are an attempt to utilize the high-strength properties of a titanium matrix composite with a monolithic alloy having the more practical machining qualities...

  3. Contact Stress Design Parameters for Titanium Bearings, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — In response to NASA 2015 SBIR Topic H4.02, Air-Lock proposes to define the maximum allowable contact stress for Titanium bearings. The modulus of Titanium is lower...

  4. Handbook of International Alloy Compositions and Designations. Volume 1. Titanium

    Science.gov (United States)

    1976-11-01

    Institute Nacional de Tecnica Aeroespacial , Madrid, Spain, plus the proposed Spanish designations for titanium alloys. Swedish References 31. Titanium...JISC, JIS: Japanese Industria Standards Committee, Agency of Industiial Science and Technology, Ministry of international Trade and Industry, 3

  5. Enhanced Performance Near Net Shape Titanium Alloys by Thermohydrogen Processing

    National Research Council Canada - National Science Library

    Froes, F

    2001-01-01

    ...), powder metallurgy and cast titanium alloys. Fundamental results have been obtained which can now be used to develop optimum THP steps to refine the microstructure and improve the mechanical properties of titanium alloys...

  6. Lifetime of titanium filament at constant current

    International Nuclear Information System (INIS)

    Chou, T.S.; Lanni, C.

    1981-01-01

    Titanium Sublimation Pump (TSP) represents the most efficient and the least expensive method to produce Ultra High Vacuum (UHV) in storage rings. In ISABELLE, a proton storage accelerator under construction at Brookhaven National Laboratory, for example, TSP provides a pumping speed for hydrogen of > 2 x 10 6 l/s. Due to the finite life of titanium filaments, new filaments have to be switched in before the end of filament burn out, to ensure smooth operation of the accelerator. Therefore, several operational modes that can be used to activate the TSP were studied. The constant current mode is a convenient way of maintaining constant evaporating rate by increasing the power input while the filament diameter decreases as titanium evaporates. The filaments used in this experiment were standard Varian 916-0024 filaments made of Ti 85%, Mo 15% alloy. During their lifetime at a constant current of 48 amperes, the evaporation rate rose to a maximum at about 10% of their life and then flattened out to a constant value, 0.25 g/hr. The maximum evaporation rate occurs coincidently with the recrystallization of 74% Ti 26% Mo 2 from microstructure crystalline at higher titanium concentration to macrostructure crystalline at lower titanium concentration. As the macrocrystal grows, the slip plane develops at the grain boundary resulting in high resistance at the slip plane which will eventually cause the filament burn out due to local heating

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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)

  12. 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.

  13. 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.

  14. 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.

  15. 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...

  16. 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...

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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...

  3. 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.

  4. 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

  5. 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)

  6. 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...

  7. 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...

  8. 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.

  9. The Use of Titanium in the Friction of Artificial Joints

    Directory of Open Access Journals (Sweden)

    Sheykin, S.Ye.

    2015-05-01

    Full Text Available The possibility of using titanium in the friction of artificial joints is studying. Tribological characteristics of the friction pair titanium-hirulen is researching. The technology of diamond-abrasive machining, polishing and gas thermal nitridation spherical heads of pure titanium implants for hip person are developed. It is proved the increases of titanium head hardness achieved by pre-grinding the surface layer structure after cold plastic deformation.

  10. Synthesis and characterization of nano silicon and titanium nitride ...

    Indian Academy of Sciences (India)

    Synthesis and characterization of nano silicon and titanium nitride powders using atmospheric microwave plasma technique ... nucleation of silicon vapour produced by the radial injection of silicon tetrachloride vapour and nano titanium nitride was synthesized by using liquid titanium tetrachloride as the precursor.

  11. Colloidal Plasmonic Titanium Nitride Nanoparticles: Properties and Applications

    DEFF Research Database (Denmark)

    Guler, Urcan; Suslov, Sergey; Kildishev, Alexander V.

    2015-01-01

    Optical properties of colloidal plasmonic titanium nitride nanoparticles are examined with an eye on their photothermal and photocatalytic applications via transmission electron microscopy and optical transmittance measurements. Single crystal titanium nitride cubic nanoparticles with an average...... degree of freedom for surface functionalization. The titanium oxide shell surrounding the plasmonic core can create new opportunities for photocatalytic applications....

  12. Applications of Titanium Dioxide Photocatalysis to Construction Materials

    CERN Document Server

    Ohama, Yoshihiko

    2011-01-01

    Titanium dioxide photocatalysis is based on the semiconducting nature of its anatase crystal type. Construction materials with titanium photocatalyst show performances of air purification, self-cleaning, water purification, antibacterial action. This book describes principles of titanium dioxide photocatalysis, its applications to cementitious and noncementitious materials, as well as an overview of standardization of testing methods.

  13. Synthesis and characterization of nano silicon and titanium nitride ...

    Indian Academy of Sciences (India)

    ... nano titanium nitride was synthesized by using liquid titanium tetrachloride as the precursor. The synthesized nano silicon and titanium nitride powders were characterized by XRD, XPS, TEM, SEM and BET. The characterization techniques indicated that the synthesized powders were indeed crystalline nanomaterials.

  14. Effects of thickness on electronic structure of titanium thin films

    Indian Academy of Sciences (India)

    Effects of thickness on the electronic structure of e-beam evaporated thin titanium films were studied using near-edge X-ray absorption fine structure (NEXAFS) technique at titanium 2,3 edge in total electron yield (TEY) mode and transmission yield mode. Thickness dependence of 2,3 branching ratio (BR) of titanium was ...

  15. 40 CFR 721.10021 - Magnesium potassium titanium oxide.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Magnesium potassium titanium oxide... Specific Chemical Substances § 721.10021 Magnesium potassium titanium oxide. (a) Chemical substance and... titanium oxide (PMN P-01-764; CAS No. 39290-90-9) is subject to reporting under this section for the...

  16. 40 CFR 721.10031 - Lithium potassium titanium oxide.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Lithium potassium titanium oxide. 721... Substances § 721.10031 Lithium potassium titanium oxide. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as lithium potassium titanium oxide (PMN P-02...

  17. Method for synthesis of titanium dioxide nanotubes using ionic liquids

    Science.gov (United States)

    Qu, Jun; Luo, Huimin; Dai, Sheng

    2013-11-19

    The invention is directed to a method for producing titanium dioxide nanotubes, the method comprising anodizing titanium metal in contact with an electrolytic medium containing an ionic liquid. The invention is also directed to the resulting titanium dioxide nanotubes, as well as devices incorporating the nanotubes, such as photovoltaic devices, hydrogen generation devices, and hydrogen detection devices.

  18. Array of titanium dioxide nanostructures for solar energy utilization

    Science.gov (United States)

    Qiu, Xiaofeng; Parans Paranthaman, Mariappan; Chi, Miaofang; Ivanov, Ilia N; Zhang, Zhenyu

    2014-12-30

    An array of titanium dioxide nanostructures for solar energy utilization includes a plurality of nanotubes, each nanotube including an outer layer coaxial with an inner layer, where the inner layer comprises p-type titanium dioxide and the outer layer comprises n-type titanium dioxide. An interface between the inner layer and the outer layer defines a p-n junction.

  19. Development and application of titanium alloy casting technology in China

    Directory of Open Access Journals (Sweden)

    HAN Hai

    2005-11-01

    Full Text Available The development and research of casting titanium alloy and its casting technology, especially its application in aeronautical industry in China are presented. The technology of moulding, melting and casting of titanium alloy, casting quality control are introduced. The existing problem and development trend in titanium alloy casting technology are also discussed.

  20. Enhancing osseointegration using surface-modified titanium implants

    Science.gov (United States)

    Yang, Y.; Oh, N.; Liu, Y.; Chen, W.; Oh, S.; Appleford, M.; Kim, S.; Kim, K.; Park, S.; Bumgardner, J.; Haggard, W.; Ong, J.

    2006-07-01

    Osseointegrated dental implants are used to replace missing teeth. The success of implants is due to osseointegration or the direct contact of the implant surface and bone without a fibrous connective tissue interface. This review discusses the enhancement of osseointegration by means of anodized microporous titanium surfaces, functionally macroporous graded titanium coatings, nanoscale titanium surfaces, and different bioactive factors.

  1. Reaction of titanium polonides with carbon dioxide

    International Nuclear Information System (INIS)

    Abakumov, A.S.; Malyshev, M.L.; Reznikova, N.F.

    1987-01-01

    It has been ascertained that heating titanium and tantalum in carbon dioxide to temperatures of 500 or 800 0 C alters the composition of the gas phase, causing the advent of carbon monoxide and lowering the oxygen content. Investigation of the thermal stability of titanium polonides in a carbon dioxide medium has shown that titanium mono- and hemipolonides are decomposed at temperatures below 350 0 C. The temperature dependence of the vapor pressure of polonium produced in the decomposition of these polonides in a carbon dioxide medium have been determined by a radiotensimetric method. The enthalpy of the process, calculated from this relationship, is close to the enthalpy of vaporization of elementary polonium in vacuo

  2. Surface treatment for inducing nanotopography on titanium

    International Nuclear Information System (INIS)

    Oliveira, S.V. de; Ribeiro, A.A.; Oliveira, M.V. de

    2014-01-01

    The titanium implant surface plays extremely important role in the biological response. Therefore, the objective of this research was to study the titanium surface nanotopography modified by chemical treatment, in order to improve its bioactivity. Commercially pure titanium samples, ASTM F67 grade 2, were immersed in H 2 SO 4 /H 2 O 2 solution for 2 or 4 hours. The samples were characterized by Scanning Electron Microscopy, Scanning Confocal Optical Microscopy, X-ray Photoelectron Spectroscopy and Diffuse Reflectance Infrared Fourier Transform Spectroscopy. The results revealed nanostructured surfaces with TiO 2 layer, average roughness of 0.86 ± 0.06 μm and 1.07 ± 0.05 μm for 2 or 4 hours, respectively and nanopores with 18 ± 6.82 nm average diameter. (author)

  3. Stainless Steel to Titanium Bimetallic Transitions

    Energy Technology Data Exchange (ETDEWEB)

    Kaluzny, J. A. [Fermilab; Grimm, C. [Fermilab; Passarelli, D. [Fermilab

    2015-01-01

    In order to use stainless steel piping in an LCLS-II (Linac Coherent Light Source Upgrade) cryomodule, stainless steel to titanium bimetallic transitions are needed to connect the stainless steel piping to the titanium cavity helium vessel. Explosion bonded stainless steel to titanium transition pieces and bimetallic transition material samples have been tested. A sample transition tube was subjected to tests and x-ray examinations between tests. Samples of the bonded joint material were impact and tensile tested at room temperature as well as liquid helium temperature. The joint has been used successfully in horizontal tests of LCLS-II cavity helium vessels and is planned to be used in LCLS-II cryomodules. Results of material sample and transition tube tests will be presented.

  4. 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.

  5. 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.

  6. 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)

  7. 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.

  8. 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.

  9. Laser induced single spot oxidation of titanium

    Energy Technology Data Exchange (ETDEWEB)

    Jwad, Tahseen, E-mail: taj355@bham.ac.uk; Deng, Sunan; Butt, Haider; Dimov, S.

    2016-11-30

    Highlights: • A new high resolution laser induced oxidation (colouring) method is proposed (single spot oxidation). • The method is applied to control oxide films thicknesses and hence colours on titanium substrates in micro-scale. • The method enable imprinting high resolution coloured image on Ti substrate. • Optical and morphological periodic surface structures are also produced by an array of oxide spots using the proposed method. • Colour coding of two colours into one field is presented. - Abstract: Titanium oxides have a wide range of applications in industry, and they can be formed on pure titanium using different methods. Laser-induced oxidation is one of the most reliable methods due to its controllability and selectivity. Colour marking is one of the main applications of the oxidation process. However, the colourizing process based on laser scanning strategies is limited by the relative large processing area in comparison to the beam size. Single spot oxidation of titanium substrates is proposed in this research in order to increase the resolution of the processed area and also to address the requirements of potential new applications. The method is applied to produce oxide films with different thicknesses and hence colours on titanium substrates. High resolution colour image is imprinted on a sheet of pure titanium by converting its pixels’ colours into laser parameter settings. Optical and morphological periodic surface structures are also produced by an array of oxide spots and then analysed. Two colours have been coded into one field and the dependencies of the reflected colours on incident and azimuthal angles of the light are discussed. The findings are of interest to a range of application areas, as they can be used to imprint optical devices such as diffusers and Fresnel lenses on metallic surfaces as well as for colour marking.

  10. Laser induced single spot oxidation of titanium

    International Nuclear Information System (INIS)

    Jwad, Tahseen; Deng, Sunan; Butt, Haider; Dimov, S.

    2016-01-01

    Highlights: • A new high resolution laser induced oxidation (colouring) method is proposed (single spot oxidation). • The method is applied to control oxide films thicknesses and hence colours on titanium substrates in micro-scale. • The method enable imprinting high resolution coloured image on Ti substrate. • Optical and morphological periodic surface structures are also produced by an array of oxide spots using the proposed method. • Colour coding of two colours into one field is presented. - Abstract: Titanium oxides have a wide range of applications in industry, and they can be formed on pure titanium using different methods. Laser-induced oxidation is one of the most reliable methods due to its controllability and selectivity. Colour marking is one of the main applications of the oxidation process. However, the colourizing process based on laser scanning strategies is limited by the relative large processing area in comparison to the beam size. Single spot oxidation of titanium substrates is proposed in this research in order to increase the resolution of the processed area and also to address the requirements of potential new applications. The method is applied to produce oxide films with different thicknesses and hence colours on titanium substrates. High resolution colour image is imprinted on a sheet of pure titanium by converting its pixels’ colours into laser parameter settings. Optical and morphological periodic surface structures are also produced by an array of oxide spots and then analysed. Two colours have been coded into one field and the dependencies of the reflected colours on incident and azimuthal angles of the light are discussed. The findings are of interest to a range of application areas, as they can be used to imprint optical devices such as diffusers and Fresnel lenses on metallic surfaces as well as for colour marking.

  11. Creating mobile apps with Appcelerator Titanium

    CERN Document Server

    Brousseau, Christian

    2013-01-01

    Creating Mobile Apps with Appcelerator Titanium provides a hands-on approach and working examples on creating apps and games as well as embedding them onto a social networking website. Developers can then move on from there to develop their own applications based on the ones they have developed throughout the course of this book.""Creating Mobile Apps with Appcelerator Titanium"" is for developers who have experience with modern languages and development environments. Also, if you are familiar with the concepts of Object-oriented Programming (OOP), reusable components, AJAX closures, and so on

  12. Local heating with titanium nitride nanoparticles

    DEFF Research Database (Denmark)

    Guler, Urcan; Ndukaife, Justus C.; Naik, Gururaj V.

    2013-01-01

    We investigate the feasibility of titanium nitride (TiN) nanoparticles as local heat sources in the near infrared region, focusing on biological window. Experiments and simulations provide promising results for TiN, which is known to be bio-compatible.......We investigate the feasibility of titanium nitride (TiN) nanoparticles as local heat sources in the near infrared region, focusing on biological window. Experiments and simulations provide promising results for TiN, which is known to be bio-compatible....

  13. Titanium plate fixation of flail chest

    OpenAIRE

    Muhammad Nadeem; Hibbut-ur-Rauf Naseem; William F. Stendardi; Kathryn D. Bass

    2018-01-01

    Introduction: We present short and long term outcomes of titanium rib plating in two pediatric patients with traumatic flail chest. Cases: Patient 1 is a 12 year old male ATV driver with left thorax handlebar impalement with a flail segment of ribs 4–8. He was unable to wean from the ventilator by hospital day (HD) 4 and had titanium plating of ribs 4–7. He was extubated on postoperative day (POD) 1 and discharged home on POD 5. He returned to contact sports at 6 months. Patient 2 is a 13 ...

  14. Titanium catalyzed silicon nanowires and nanoplatelets

    Directory of Open Access Journals (Sweden)

    Mohammad A. U. Usman

    2013-03-01

    Full Text Available Silicon nanowires, nanoplatelets, and other morphologies resulted from silicon growth catalyzed by thin titanium layers. The nanowires have diameters down to 5 nm and lengths to tens of micrometers. The two-dimensional platelets, in some instances with filigreed, snow flake-like shapes, had thicknesses down to the 10 nm scale and spans to several micrometers. These platelets grew in a narrow temperature range around 900 celsius, apparently representing a new silicon crystallite morphology at this length scale. We surmise that the platelets grow with a faceted dendritic mechanism known for larger crystals nucleated by titanium silicide catalyst islands.

  15. Nickel and titanium nanoboride composite coating

    International Nuclear Information System (INIS)

    Efimova, K A; Galevsky, G V; Rudneva, V V; Kozyrev, N A; Orshanskaya, E G

    2015-01-01

    Electrodeposition conditions, structural-physical and mechanical properties (microhardness, cohesion with a base, wear resistance, corrosion currents) of electroplated composite coatings on the base of nickel with nano and micro-powders of titanium boride are investigated. It has been found out that electro-crystallization of nickel with boride nanoparticles is the cause of coating formation with structural fragments of small sizes, low porosity and improved physical and mechanical properties. Titanium nano-boride is a component of composite coating, as well as an effective modifier of nickel matrix. Nano-boride of the electrolyte improves efficiency of the latter due to increased permissible upper limit of the cathodic current density. (paper)

  16. The Properties of Titanium and Its Alloys

    OpenAIRE

    BIŠĆAN, VLATKA; LUETIĆ, VIKTORIJA

    2012-01-01

    Titanium metal is silver-grey color and high gloss, the ninth element of the abundance in the Earth’s crust, and can be found in meteorites. It has a low electrical conductivity and low coefficient of thermal expansion. Since titanium has a great passivity, its physical property is a high level of corrosion resistance to most mineral acids and chlorides. It has mechanical properties such as steel, has a high melting temperature and is light. Since it is highly resistant to corrosion it is app...

  17. 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.

  18. 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

  19. 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.

  20. 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.