WorldWideScience

Sample records for surface silanol groups

  1. Effect of surface silanol groups on the deposition of apatite onto silica surfaces: a computer simulation study

    CSIR Research Space (South Africa)

    Mkhonto, D

    2008-01-01

    Full Text Available . The researchers’ simulations support the suggestion, that in vivo surface hydroxy groups are first condensed to form O–Si–O bridges before deposition and growth of apatite...

  2. Stability of silanols and grafted alkylsilane monolayers on plasma-activated mica surfaces.

    Science.gov (United States)

    Liberelle, Benoît; Banquy, Xavier; Giasson, Suzanne

    2008-04-01

    We investigated the effect of physical and chemical modifications of mica surfaces induced by water vapor-based plasma treatments on the stability of silanols and grafted alkylsilane monolayers. The plasma-activated substrates were characterized using XPS, TOF-SIMS, and contact angle measurements. They revealed a large surface coverage of silanol groups (Si-OH) and a loss of aluminum atoms compared to freshly cleaved mica surfaces. The stability of plasma-induced silanol groups was investigated by contact angle measurements using ethylene glycol as a probe liquid. The Si-OH surface coverage decreased rapidly under vacuum or thermal treatment to give rise to hydrophobic dehydrated surfaces. The stability of end-grafted monofunctionalized n-alkylsilanes was investigated in different solvents and at different pH using water contact angle measurements. The degrafting of alkylsilanes from the activated mica was promoted in acidic aqueous solutions. This detachment was associated with the hydrolysis of covalent bonds between the alkylsilanes and the mica surface. The monolayer stability was enhanced by increasing the length of the alkyl chains that probably act as a hydrophobic protective layer against hydrolysis reactions. Stable alkylsilane monolayers in water with pH greater than 5.5 were obtained on mica surfaces activated at low plasma pressure. We attributed this stability to the loss of surface Al atoms induced by the plasma treatment.

  3. The Silica-Water Interface: How the Silanols Determine the Surface Acidity and Modulate the Water Properties.

    Science.gov (United States)

    Sulpizi, Marialore; Gaigeot, Marie-Pierre; Sprik, Michiel

    2012-03-13

    Silica is the most abundant metal oxide and the main component of the Earth's crust. Its behavior in contact with water plays a critical role in a variety of geochemical and environmental processes. Despite its key role, the details of the aqueous silica interface at the microscopic molecular level are still elusive. Here we provide such a detailed understanding of the molecular behavior of the silica-water interface, using density functional theory based molecular dynamics (DFTMD) simulations, where a consistent treatment of the electronic structure of solvent and surface is provided. We have calculated the acidity of the silanol groups at the interface directly from the DFTMD simulations, without any fitting of parameters to the experimental data. We find two types of silanol groups at the surface of quartz: out-of-plane silanols with a strong acidic character (pKa = 5.6), which consequently results in the formation of strong and short hydrogen bonds with water molecules at the interface, and in-plane silanols with a pKa of 8.5, forming weak hydrogen bonds with the interfacial water molecules. Our estimate of the quartz point of zero charge (1.0) is found in good agreement with the experimental value of 1.9. We have also shown how the silanols orientation and their hydrogen bond properties are responsible for an amphoteric behavior of the surface. A detailed analysis has identified two species of adsorbed water molecules at the solid-liquid interface, which using the language of vibrational spectroscopy can be identified as "liquid-like" and "ice-like" water or, in other words, water molecules forming respectively weak and strong H-bonds with the oxide surface. These two populations of water are in turn responsible for two distinct peaks in the infrared spectrum of interfacial water and thus provide a molecular explanation of the experimental sum frequency generation spectrum recorded in the literature. In the specific case of quartz, we show that the liquid

  4. Vibrational properties of silanol group: from alkylsilanol to small silica cluster. Effects of silicon substituents.

    Science.gov (United States)

    Carteret, Cédric

    2006-06-01

    Structural and vibrational features of silanol group are investigated in detail by quantum calculations and normal mode analysis. The structural parameters, charge distributions, force fields, vibrational wavenumbers, potential energy distributions of normal modes and derivatives of the electric dipole moment are analyzed in relation to the nature of the substituents adjacent to the silanol group. The calculations results are discussed in light of available experimental data. Although the OH stretching mode has already been well localized in various silanols, both the Si-(OH) stretching and SiOH bending vibrations have not been yet finely analyzed leading to some discrepancies reported in literature. Clarified assignments of these vibrations are proposed on the basis of normal mode analysis and of SiOH-->SiOD isotopic exchange. The following spectral ranges are determined: 790-1030 cm-1 for nuSi-(OH), 790-1010 cm-1 for nuSi-(OD), 790-900 cm-1 for deltaOH and 580-640 cm-1 for deltaOD. The nuSi-(OH)/nuSi-(OD) wavenumbers are highly dependent on silicon substituents: electron-withdrawing groups induce shifts to higher wavenumbers while electron-releasing groups induce shifts to lower wavenumbers. In alkylsilanols, the SiOH bending is observed at higher wavenumber than the stretching vibration. Analysis of infrared intensities and dipole derivatives in internal coordinates gives explanations to spectral "anomalies" observed in experimental measurements such as well defined and intense nuSi-(OD) absorption in contrast with very low intensity for nuSi-(OH). Numerous empirical correlations are established allowing reconstruction of both SiOH force field and SiOH structural parameters with knowledge of few experimental data.

  5. Facile preparation of superparamagnetic Fe3O4/poly(St-co-MPS)/SiO2 composite particles with high magnetization by introduction of silanol groups.

    Science.gov (United States)

    Yan, Feng; Li, Jun; Fu, Rong; Lu, Ziyang; Yang, Wensheng

    2009-10-01

    Fe3O4/poly(St-co-MPS) particles were prepared by encapsulation of Fe3O4 nanoparticles into copolymers of styrene (St) and 3-trimethoxysilylpropylmethacrylate (MPS) (poly(St-co-MPS)) prepared by miniemulsion copolymerization. It is found that the structure of the Fe3O4/poly(St-co-MPS)/SiO2 composite particles prepared by direct silica deposition on surface of the Fe3O4/poly(St-co-MPS) particles is dependent on the volume fraction of MPS used in the copolymerization. It is identified that the surface of the Fe3O4/poly(St-co-MPS) particles becomes more negatively charged with increased volume fraction of MPS used in the copolymerization, attributed to the increased amount of the silanol groups on the particles surface. Introduction of silanol groups on the particle surface is effective to improve the dispersibility of the Fe3O4/poly(St-co-MPS) particles and their compatibility with silica, allowing the facile preparation of Fe3O4/poly(St-co-MPS)/SiO2 composite particles with defined core-shell structure. The as-prepared Fe3O4/poly(St-co-MPS)/SiO2 composite particles show high magnetization, for example, saturation magnetization of the particles with average size of 140 nm and 6 nm silica shell is as high as 45 emu/g at 300 K.

  6. Enhanced Retention of Chelating Reagents in Octadecylsilyl Silica Phase by Interaction with Residual Silanol Groups in Solid Phase Extraction of Divalent Metal Ions.

    Science.gov (United States)

    Ohmuro, Satoshi; Fujii, Kan; Yasui, Takashi; Takada, Kazutake; Yuchi, Akio; Kokusen, Hisao

    2016-01-01

    Solid-phase extraction (SPE) of divalent metal ions with a lipophilic and potentially divalent hexadentate chelating reagent (H2L), with which octadecylsilyl silica (ODS), was impregnated with was studied to gain more insight into and develop the potential of this methodology. This is the first time to demonstrate that this reagent as well as other common nitrogen-containing reagents were retained both by adsorption due to hydrogen bonding between nitrogen atoms of the reagent and residual silanol groups in the ODS phase and by simple distribution into the hydrophobic space. An appreciably large amount of this reagent could be retained by the adsorption mechanism even with a relatively thin loading solution. The divalent metal ions of Mn(2+), Co(2+) and Zn(2+) were extracted as 1:1 neutral complexes ([ML]), while Ni(2+) and Cu(2+) as ion-pairs of 1:1 cationic complex ([MHL](+)) with anion in SPE with H2L. The extractability and selectivity were substantially the same as that in liquid-liquid extraction.

  7. Efecto de la temperatura de calcinación sobre la concentración de grupos silanoles en superficies de SiO2 (SBA–15

    Directory of Open Access Journals (Sweden)

    Reyna Ojeda-López

    2014-06-01

    Full Text Available The preparation of SBA-15 materials involves both, calcination and activation processes. The effects of the temperatures of these stages on the silanol superficial concentration are studied experimentally. The characterization techniques employed were: nitrogen adsorption, infrared spectroscopy, nuclear magnetic resonance, and X-ray diffraction. To improve the concentration of silanols groups on the solid surface, the obtained results indicate that the best temperatures of calcination and activation are 623K and 373K, respectively.

  8. One-pot synthesis of silanol-free nanosized MFI zeolite

    Science.gov (United States)

    Grand, Julien; Talapaneni, Siddulu Naidu; Vicente, Aurélie; Fernandez, Christian; Dib, Eddy; Aleksandrov, Hristiyan A.; Vayssilov, Georgi N.; Retoux, Richard; Boullay, Philippe; Gilson, Jean-Pierre; Valtchev, Valentin; Mintova, Svetlana

    2017-10-01

    The synthesis of nanostructured zeolites enables modification of catalytically relevant properties such as effective surface area and diffusion path length. Nanostructured zeolites may be synthesized either in alkaline media, and so contain significant numbers of hydrophilic silanol groups, or in expensive and harmful fluoride-containing media. Here, we report and characterize, using a combination of experimental and theoretical techniques, the one-pot synthesis of silanol-free nanosized MFI-type zeolites by introducing atomically dispersed tungsten; this prevents silanol group occurrence by forming flexible W-O-Si bridges. These W-O-Si bonds are more stable than Si-O-Si in the all-silica MFI zeolite. Tungsten incorporation in nanosized MFI crystals also modifies other properties such as structural features, hydrophobicity and Lewis acidity. The effect of these is illustrated on the catalytic epoxidation of styrene and separation of CO2 and NO2. Silanol-free nanosized W-MFI zeolites open new perspectives for catalytic and separation applications.

  9. Effect of the residual silanol group protection on the liquid chromatographic resolution of racemic primary amino compounds on a chiral stationary phase based on optically active (3,3'-diphenyl-1,1'-binaphthyl)-20-crown-6.

    Science.gov (United States)

    Hyun, Myung Ho; Han, Sang Cheol; Choi, Hee Jung; Kang, Bu Sung; Ha, Hyun Ju

    2007-01-05

    A liquid chromatographic chiral stationary phase (CSP) based on (3,3'-diphenyl-1,1'-binaphthyl)-20-crown-6, which has been utilized in the resolution of alpha-amino acids, amines and amino alcohols, was treated with excess of n-octyltriethoxysilane to prepare a new improved CSP. The residual silanol groups of the original CSP were protected by n-octyl groups in the new CSP. The chiral recognition ability of the new CSP was superior to that of the original CSP in the resolution of alpha-amino acids, amines and amino alcohols. Retention factors (k1) for the resolution of alpha-amino acids were lower on the new CSP than on the original CSP while those for the resolution of amines and amino alcohols were higher on the new CSP than on the original CSP. The improved chiral recognition ability of the new CSP and the retention behaviors of the two enantiomers on the new CSP have been rationalized to stem from the removal of the non-enantioselective interactions between the analytes and the residual silanol groups of the original CSP and the improved lipophilicity of the CSP.

  10. Liquid chromatographic direct resolution of aryl alpha-amino ketones on a residual silanol group-protecting chiral stationary phase based on optically active (3,3'-diphenyl-1,1'-binaphthyl)-20-crown-6.

    Science.gov (United States)

    Choi, Hee Jung; Jin, Jong Sung; Hyun, Myung Ho

    2008-11-01

    A residual silanol group-protecting chiral stationary phase (CSP) based on optically active (3,3'-diphenyl-1,1'-binaphthyl)-20-crown-6 was successfully applied to the resolution of racemic cathinone and it analogue aryl alpha-amino ketones. The separation factors (alpha) and the resolutions (Rs) for 12 analytes were in the ranges of 2.85-16.12 and 6.49-19.64, respectively. The chromatographic resolution behaviors were investigated as a function of the content and type of organic and acidic modifiers and the ammonium acetate concentration in aqueous mobile phase. The practical usefulness of the CSP in the determination of the enantiomeric purity of optically active cathinone and in the preparative resolution of racemic cathinone was demonstrated.

  11. Water Contact Angle Dependence with Hydroxyl Functional Groups on Silica Surfaces under CO2 Sequestration Conditions.

    Science.gov (United States)

    Chen, Cong; Zhang, Ning; Li, Weizhong; Song, Yongchen

    2015-12-15

    Functional groups on silica surfaces under CO2 sequestration conditions are complex due to reactions among supercritical CO2, brine and silica. Molecular dynamics simulations have been performed to investigate the effects of hydroxyl functional groups on wettability. It has been found that wettability shows a strong dependence on functional groups on silica surfaces: silanol number density, space distribution, and deprotonation/protonation degree. For neutral silica surfaces with crystalline structure (Q(3), Q(3)/Q(4), Q(4)), as silanol number density decreases, contact angle increases from 33.5° to 146.7° at 10.5 MPa and 318 K. When Q(3) surface changes to an amorphous structure, water contact angle increases 20°. Water contact angle decreases about 12° when 9% of silanol groups on Q(3) surface are deprotonated. When the deprotonation degree increases to 50%, water contact angle decreases to 0. The dependence of wettability on silica surface functional groups was used to analyze contact angle measurement ambiguity in literature. The composition of silica surfaces is complicated under CO2 sequestration conditions, the results found in this study may help to better understand wettability of CO2/brine/silica system.

  12. Performance of amines as silanol suppressors in reversed-phase liquid chromatography.

    Science.gov (United States)

    Calabuig-Hernández, S; García-Alvarez-Coque, M C; Ruiz-Angel, M J

    2016-09-23

    In reversed-phase liquid chromatography, cationic basic compounds yield broad and asymmetrical peaks, as a result of their ionic interaction with the anionic free silanol groups present in the silica-based stationary phases (commonly derivatised with C18 groups). A simple way to improve the peak shape is the addition to the hydro-organic mobile phase of a reagent (usually called additive) with cationic character. This associates with the stationary phase to prevent the access of analytes to the free silanol groups. Cationic additives may interact electrostatically with the anionic silanols. The hydrophobic region of the additive may also associate with the alkyl chains bound to the stationary phase, with the positive charge oriented towards the mobile phase. The access to the silanol groups is thus blocked, but in turn, the stationary phase is positively charged and will repel the protonated basic compounds, which unless their polarity is sufficiently low, will elute at very short times. In this work, a comparative study of the performance of a group of amines (butylamine, pentylamine, hexylamine, cyclopentylamine, cycloheptylamine, N,N-dimethyloctylamine and tributylmethylammonium chloride), as modifiers of the chromatographic behaviour of basic compounds, is carried out. The behaviour is compared with that obtained with the ionic liquids 1-butyl-3-methylimidazolium chloride and 1-hexyl-3-methylimidazolium chloride, used as additives. The study revealed that the performance of the cationic additives to block the silanol activity is mainly explained by the additive size and its ability to be adsorbed onto the stationary phase.

  13. An improved process for the surface modification of SiO2 nanoparticles

    KAUST Repository

    Livi, Sébastien

    2012-01-01

    A phosphonium ionic liquid is used as an activator of silanol groups to improve the surface functionalization of silica nanoparticles with fluorosilanes in supercritical CO 2. © 2012 The Royal Society of Chemistry.

  14. The use of a well-defined surface organometallic complex as a probe molecule: [(SiO)TaVCl2Me2] shows different isolated silanol sites on the silica surface

    KAUST Repository

    Chen, Yin

    2014-01-01

    TaVCl2Me3 reacts with silica(700) and produces two different [(SiO)TaVCl2Me2] surface organometallic species, suggesting a heterogeneity of the highly dehydroxylated silica surface, which was studied with a combined experimental and theoretical approach. This journal is © the Partner Organisations 2014.

  15. Optimizing acid-base bifunctional mesoporous catalysts for the henry reaction: effects of the surface density and site isolation of functional groups.

    Science.gov (United States)

    Sharma, Krishna K; Buckley, Robert P; Asefa, Tewodros

    2008-12-16

    We report on the effects of the surface density and the spacing between grafted organoamines (and residual ungrafted silanols) of amine-functionalized mesoporous materials on their (cooperative) catalytic activity in the Henry reaction. The spacing between the bifunctional groups (amines and silanols), their site isolation, and their surface density were controlled by one-step or two-step grafting of a series of organosilanes containing linear alkylamine, alkyldiamine, alkyltriamine, and meta- and para-substituted aromatic amines onto mesoporous silica in ethanol and/or toluene. The grafting in ethanol produced site-isolated, flexible alkylamines, alkyldiamines, and alkyltriamines of different tether lengths and rigid meta- and para-substituted aromatic amines and high surface area materials, whereas the grafting in toluene resulted in closely spaced organoamines and materials with lower surface areas. The spacing between the organoamine groups was probed by complexing cupric ions with the amines and by measuring the electronic spectra of the complexes. The materials' catalytic activities were dependent not only on the degree of site isolation of the amine groups and the surface areas of the materials, but also on the relative spacing between the functional groups and their surface density. Samples grafted with monoamine groups in ethanol and samples grafted with diamine or triamine groups in toluene for 5 h gave approximately 100% conversion in 16 min of the Henry reaction between p-hydroxybenzaldehyde and nitromethane. However, the corresponding monoamine-grafted sample in toluene and diamine- and triamine-grafted samples in ethanol gave approximately 100% conversion after 1 h. On the basis of turnover number (TON) and TON per surface area, the samples containing optimum concentrations of approximately 0.8 - 1.5 mmol of grafted organoamines/g, which we dubbed as the critical density of organic grafted groups, gave the highest catalytic efficiencies. These samples

  16. Graphs, groups and surfaces

    CERN Document Server

    White, AT

    1985-01-01

    The field of topological graph theory has expanded greatly in the ten years since the first edition of this book appeared. The original nine chapters of this classic work have therefore been revised and updated. Six new chapters have been added, dealing with: voltage graphs, non-orientable imbeddings, block designs associated with graph imbeddings, hypergraph imbeddings, map automorphism groups and change ringing.Thirty-two new problems have been added to this new edition, so that there are now 181 in all; 22 of these have been designated as ``difficult'''' and 9 as ``unsolved''''. Three of the four unsolved problems from the first edition have been solved in the ten years between editions; they are now marked as ``difficult''''.

  17. Surface chemistry of boron-doped SiO{sub 2} CVD: Enhanced uptake of tetraethyl orthosilicate by hydroxyl groups bonded to boron

    Energy Technology Data Exchange (ETDEWEB)

    Bartram, M.E.; Moffat, H.K.

    1993-12-31

    Insight into how dopants can enhance deposition rates has been obtained by comparing reactivities of tetraethyl orthosilicate (TEOS, Si(OCH{sub 2}CH{sub 3}){sub 4}) with silanol and boranol groups on SiO{sub 2}. This comparison is relevant for boron-doped SiO{sub 2} film growth from TEOS and trimethyl borate (TMB, B(OCH{sub 3}){sub 3}) sources since boranols and silanols are expected to be present on surface during the (CVD). A silica substrate having coadsorbed deuterated silanols (SIOD) and boranols (BOD) was reacted with TEOS in a cold-wall reactor in the mTorr pressure regime at 1000K. Reactions were followed with Fourier transform infrared spectroscopy. Use of deuterated hydroxyls allowed consumption of hydroxyls by TEOS chemisorption to be distinguished from concurrent formation of SIOH and BOH that results from TEOS decomposition. It was found that TEOS reacts with BOD at twice the rate observed for SIOD demonstrating that hydroxyl groups bonded to boron increase the rate of TEOS chemisorption. Surface ethoxy groups produced by chemisorption of TEOS decompose at a slower rate in the presence of TMB decomposition products. Possible dependencies on reactor geometries and other deposition conditions may determine which of these two competing effects will control deposition rates. This may explain (in part) why the rate enhancement effect is not always observed in boron-doped SiO{sub 2} CVD processes.

  18. Beauville Surfaces and Groups 2012

    CERN Document Server

    Garion, Shelly; Vdovina, Alina; Springer Proceedings in Mathematics & Statistics : Volume 123

    2015-01-01

    This collection of surveys and research articles explores a fascinating class of varieties: Beauville surfaces. It is the first time that these objects are discussed from the points of view of algebraic geometry as well as group theory. The book also includes various open problems and conjectures related to these surfaces. Beauville surfaces are a class of rigid regular surfaces of general type, which can be described in a purely algebraic combinatoric way. They play an important role in different fields of mathematics like algebraic geometry, group theory and number theory. The notion of Beauville surface was introduced by Fabrizio Catanese in 2000 and, after the first systematic study of these surfaces by Ingrid Bauer, Fabrizio Catanese and Fritz Grunewald, there has been an increasing interest in the subject. These proceedings reflect the topics of the lectures presented during the workshop ‘Beauville Surfaces and Groups 2012’, held at Newcastle University, UK in June 2012. This conference brought toge...

  19. Controlled chemical modification of the internal surface of photonic crystal fibers for application as biosensitive elements

    Science.gov (United States)

    Pidenko, Sergey A.; Burmistrova, Natalia A.; Pidenko, Pavel S.; Shuvalov, Andrey A.; Chibrova, Anastasiya A.; Skibina, Yulia S.; Goryacheva, Irina Y.

    2016-10-01

    Photonic crystal fibers (PCF) are one of the most promising materials for creation of constructive elements for bio-, drug and contaminant sensing based on unique optical properties of the PCF as effective nanosized optical signal collectors. In order to provide efficient and controllable binding of biomolecules, the internal surface of glass hollow core photonic crystal fibers (HC-PCF) has been chemically modified with silanol groups and functionalized with (3-aminopropyl) triethoxysilane (APTES). The shift of local maxima in the HC-PCF transmission spectrum has been selected as a signal for estimating the amount of silanol groups on the HC-PCF inner surface. The relationship between amount of silanol groups on the HC-PCF inner surface and efficiency of following APTES functionalization has been evaluated. Covalent binding of horseradish peroxidase (chosen as a model protein) on functionalized PCF inner surface has been performed successively, thus verifying the possibility of creating a biosensitive element.

  20. Altered activity profile of a tertiary silanol analog of multi-targeting nuclear receptor modulator T0901317.

    Science.gov (United States)

    Toyama, Hirozumi; Sato, Shoko; Shirakawa, Hitoshi; Komai, Michio; Hashimoto, Yuichi; Fujii, Shinya

    2016-04-01

    We report the design, synthesis, and physicochemical/biological evaluation of novel silanol derivative 6 (sila-T) as a silanol analog of multi-target nuclear receptor modulator T0901317 (5). Compound 6 showed intermediate hydrophobicity between the corresponding alcohol 13 and perfluoroalcohol 5. While 5 exhibited potent activities toward liver X receptor α and β, farnesoid X receptor, pregnane X receptor (PXR) and retinoic acid receptor-related orphan receptor (ROR)γ, silanol 6 exhibited activity only toward PXR and RORs. Incorporation of silanol instead of perfluoroalcohol is a promising option for developing novel target-selective, biologically active compounds.

  1. Constant Angle Surfaces in the Heisenberg Group

    Institute of Scientific and Technical Information of China (English)

    Johan FASTENAKELS; Marian Ioan MUNTEANU; Joeri VAN DER VEKEN

    2011-01-01

    In this article we extend the notion of constant angle surfaces in S2 × R and H2 × R to general Bianchi-Cartan-Vranceanu spaces. We show that these surfaces have constant Gaussian curvature and we give a complete local classification in the Heisenberg group.

  2. DSSC anchoring groups: a surface dependent decision.

    Science.gov (United States)

    O'Rourke, C; Bowler, D R

    2014-05-14

    Electrodes in dye sensitised solar cells are typically nanocrystalline anatase TiO2 with a majority (1 0 1) surface exposed. Generally the sensitising dye employs a carboxylic anchoring moiety through which it adheres to the TiO₂ surface. Recent interest in exploiting the properties of differing TiO₂ electrode morphologies, such as rutile nanorods exposing the (1 1 0) surface and anatase electrodes with high percentages of the (0 0 1) surface exposed, begs the question of whether this anchoring strategy is best, irrespective of the majority surface exposed. Here we address this question by presenting density functional theory calculations contrasting the binding properties of two promising anchoring groups, phosphonic acid and boronic acid, to that of carboxylic acid. Anchor-electrode interactions are studied for the prototypical anatase (1 0 1) surface, along with the anatase (0 0 1) and rutile (1 1 0) surfaces. Finally the effect of using these alternative anchoring groups to bind a typical coumarin dye (NKX-2311) to these TiO₂ substrates is examined. Significant differences in the binding properties are found depending on both the anchor and surface, illustrating that the choice of anchor is necessarily dependent upon the surface exposed in the electrode. In particular the boronic acid is found to show the potential to be an excellent anchor choice for electrodes exposing the anatase (0 0 1) surface.

  3. Beauville surfaces with abelian Beauville group

    CERN Document Server

    González-Diez, Gabino; Torres-Teigell, David

    2011-01-01

    A Beauville surface is a rigid surface of general type arising as a quotient of a product of curves $C_{1}$, $C_{2}$ of genera $g_{1},g_{2}\\ge 2$ by the free action of a finite group $G$. In this paper we study those Beauville surfaces for which $G$ is abelian (so that $G\\cong \\mathbb{Z}_{n}^{2}$ with $\\gcd(n,6)=1$ by a result of Catanese). For each such $n$ we are able to describe all such surfaces, give a formula for the number of their isomorphism classes and identify their possible automorphism groups. This explicit description also allows us to observe that such surfaces are all defined over $\\mathbb{Q}$.

  4. Halloysite nanotube supported Ag nanoparticles heteroarchitectures as catalysts for polymerization of alkylsilanes to superhydrophobic silanol/siloxane composite microspheres.

    Science.gov (United States)

    Li, Cuiping; Li, Xueyuan; Duan, Xuelan; Li, Guangjie; Wang, Jiaqiang

    2014-12-15

    Halloysite nanotube supported Ag nanoparticles heteroarchitectures have been prepared through a very simple electroless plating method. Robust Ag nanocrystals can be reproducibly fabricated by soaking halloysite nanotubes in ethanolic solutions of AgNO3 and butylamine. By simply adjusting the molar ratio of AgNO3 and butylamine, Ag nanoparticles with tunable size and quantity on halloysite nanotube are achieved. It reveals that the Ag nanoparticles are well-dispersed on the surface of halloysite nanotubes. The halloysite nanotube supported Ag nanoparticles heteroarchitectures can serve as active catalysts for the polymerization of an alkylsilane C18H37SiH3 with water to form silanol/siloxane composite microspheres and exhibit interesting superhydrophobicity ascribed to the micro/nanobinary structure.

  5. Uniformly Exponential Growth and Mapping Class Groups of Surfaces

    OpenAIRE

    Anderson, J. W.; Aramayona, J.; Shackleton, K.J.

    2005-01-01

    We show that the mapping class group (as well as closely related groups) of an orientable surface with finitely generated fundamental group has uniformly exponential growth. We further demonstrate the uniformly non-amenability of many of these groups.

  6. Studies on the Surface Properties of MCM-41

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    MCM-41 materials with a well-ordered long-range structure, a large pore size and a high surface area have been synthesized. Their surface properties including the number and the nature of the surface hydroxyl groups and surface hydrophobicity/hydrophilicity have been investigated by means of 29Si MAS NMR and FT-IR spectra and TPD of probe molecules. The results clearly show that the surface of MCM-41 has an abundance of acidic silanol groups, and that the hydrophobicity/hydrophilicity can be modified by the introduction of Al and transition metals Ti, Cr, Ni and Fe into it.

  7. Surface defects and elliptic quantum groups

    Science.gov (United States)

    Yagi, Junya

    2017-06-01

    A brane construction of an integrable lattice model is proposed. The model is composed of Belavin's R-matrix, Felder's dynamical R-matrix, the Bazhanov-Sergeev-Derkachov-Spiridonov R-operator and some intertwining operators. This construction implies that a family of surface defects act on supersymmetric indices of four-dimensional \\mathcal{N} = 1supersymmetricfieldtheoriesastransfermatricesrelatedtoellipticquantumgroups.

  8. Structure-Antimicrobial Activity Relationship for a New Class of Antimicrobials, Silanols, in Comparison to Alcohols and Phenols

    Science.gov (United States)

    2006-08-01

    1 and the free OH peak at 3610cm-1 while 3-chlorophenol displayed H-boned OH at 3287cm-1 and free OH at 3606cm-1. 2- phenylphenol exhibited its H...2.16 318 2- phenylphenol 3.28 252 2.4 Conclusions The silanols were prepared through the hydrolysis of chlorine derivative silanes. The

  9. Surface properties of a single perfluoroalkyl group on water surfaces studied by surface potential measurements.

    Science.gov (United States)

    Shimoaka, Takafumi; Tanaka, Yuki; Shioya, Nobutaka; Morita, Kohei; Sonoyama, Masashi; Amii, Hideki; Takagi, Toshiyuki; Kanamori, Toshiyuki; Hasegawa, Takeshi

    2016-12-01

    A discriminative study of a single perfluoroalkyl (Rf) group from a bulk material is recently recognized to be necessary toward the total understanding of Rf compounds based on a primary chemical structure. The single molecule and the bulk matter have an interrelationship via an intrinsic two-dimensional (2D) aggregation property of an Rf group, which is theorized by the stratified dipole-arrays (SDA) theory. Since an Rf group has dipole moments along many C-F bonds, a single Rf group would possess a hydrophilic-like character on the surface. To reveal the hydration character of a single Rf group, in the present study, surface potential (ΔV) measurements are performed for Langmuir monolayers of Rf-containing compounds. From a comparative study with a monolayer of a normal hydrocarbon compound, the hydration/dehydration dynamics of a lying Rf group on water has first been monitored by ΔV measurements, through which a single Rf group has been revealed to have a unique "dipole-interactive" character, which enables the Rf group interacted with the water 'surface.' In addition, the SDA theory proves to be useful to predict the 2D aggregation property across the phase transition temperature of 19°C by use of the ΔV measurements.

  10. Water Organization and Dynamics on Mineral Surfaces Interrogated by Graph Theoretical Analyses of Intermolecular Chemical Networks

    Directory of Open Access Journals (Sweden)

    Abdullah Ozkanlar

    2014-03-01

    Full Text Available Intermolecular chemical networks defined by the hydrogen bonds formed at the α-quartz|water interface have been data-mined using graph theoretical methods so as to identify and quantify structural patterns and dynamic behavior. Using molecular-dynamics simulations data, the hydrogen bond (H-bond distributions for the water-water and water-silanol H-bond networks have been determined followed by the calculation of the persistence of the H-bond, the dipole-angle oscillations that water makes with the surface silanol groups over time, and the contiguous H-bonded chains formed at the interface. Changes in these properties have been monitored as a function of surface coverage. Using the H-bond distribution between water and the surface silanol groups, the actual number of waters adsorbed to the surface is found to be 0.6 H2O/10 Å2, irrespective of the total concentration of waters within the system. The unbroken H-bond network of interfacial waters extends farther than in the bulk liquid; however, it is more fluxional at low surface coverages (i.e., the H-bond persistence in a monolayer of water is shorter than in the bulk Concentrations of H2O at previously determined water adsorption sites have also been quantified. This work demonstrates the complementary information that can be obtained through graph theoretical analysis of the intermolecular H-bond networks relative to standard analyses of molecular simulation data.

  11. Deforming super Riemann surfaces with gravitinos and super Schottky groups

    Energy Technology Data Exchange (ETDEWEB)

    Playle, Sam [Dipartimento di Fisica, Università di Torino and INFN, Sezione di Torino,Via P. Giuria 1, I-10125 Torino (Italy)

    2016-12-12

    The (super) Schottky uniformization of compact (super) Riemann surfaces is briefly reviewed. Deformations of super Riemann surface by gravitinos and Beltrami parameters are recast in terms of super Schottky group cohomology. It is checked that the super Schottky group formula for the period matrix of a non-split surface matches its expression in terms of a gravitino and Beltrami parameter on a split surface. The relationship between (super) Schottky groups and the construction of surfaces by gluing pairs of punctures is discussed in an appendix.

  12. Surface chemistry of group 11 atomic layer deposition precursors on silica using solid-state nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Pallister, Peter J.; Barry, Seán T.

    2017-02-01

    The use of chemical vapour deposition (CVD) and atomic layer deposition (ALD) as thin film deposition techniques has had a major impact on a number of fields. The deposition of pure, uniform, conformal thin films requires very specific vapour-solid reactivity that is largely unknown for the majority of ALD and CVD precursors. This work examines the initial chemisorption of several thin film vapour deposition precursors on high surface area silica (HSAS) using 13C, 31P, and quantitative 29Si nuclear magnetic resonance spectroscopy (NMR). Two copper metal precursors, 1,3-diisopropyl-imidazolin-2-ylidene copper (I) hexamethyldisilazide (1) and 1,3-diethyl-imidazolin-2-ylidene copper(I) hexamethyldisilazide (2), and one gold metal precursor, trimethylphosphine gold(III) trimethyl (3), are examined. Compounds 1 and 2 were found to chemisorb at the hydroxyl surface-reactive sites to form a ||-O-Cu-NHC surface species and fully methylated silicon (||-SiMe3, due to reactivity of the hexamethyldisilazane (HMDS) ligand on the precursor) at 150 °C and 250 °C. From quantitative 29Si solid-state NMR (SS-NMR) spectroscopy measurements, it was found that HMDS preferentially reacts at geminal disilanol surface sites while the copper surface species preferentially chemisorbed to lone silanol surface species. Additionally, the overall coverage was strongly dependent on temperature, with higher overall coverage of 1 at higher temperature but lower overall coverage of 2 at higher temperature. The chemisorption of 3 was found to produce a number of interesting surface species on HSAS. Gold(III) trimethylphosphine, reduced gold phosphine, methylated phosphoxides, and graphitic carbon were all observed as surface species. The overall coverage of 3 on HSAS was only about 10% at 100 °C and, like the copper compounds, had a preference for lone silanol surface reactive sites. The overall coverage and chemisorbed surface species have implications to the overall growth rate and purity of

  13. A silanol-based nanocomposite coating for protection of AA-2024 aluminium alloy

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, E.; Pavez, J.; Azocar, I.; Zagal, J.H. [Departamento de Quimica de los Materiales, Facultad de Quimica y Biologia, Universidad de Santiago de Chile, Avenida Bernardo O' Higgins 3363, Casilla 40, Correo 33, Santiago (Chile); Zhou, X. [Corrosion and Protection Centre, School of Materials, University of Manchester, Manchester M13 9PL (United Kingdom); Melo, F. [Departamento de Fisica, Facultad de Ciencias, Universidad de Santiago de Santiago de Chile, Avenida Bernardo O' Higgins 3363, Santiago (Chile); Thompson, G.E. [Corrosion and Protection Centre, School of Materials, University of Manchester, Manchester M13 9PL (United Kingdom); Paez, M.A., E-mail: maritza.paez@usach.cl [Departamento de Quimica de los Materiales, Facultad de Quimica y Biologia, Universidad de Santiago de Chile, Avenida Bernardo O' Higgins 3363, Casilla 40, Correo 33, Santiago (Chile)

    2011-09-01

    Highlights: {center_dot} A new silanol-based hybrid coating has been synthesized. {center_dot} The incorporation of CeO{sub 2} and ZrO{sub 2} nanoparticles into the coating greatly improves the corrosion resistance of the coated aluminium alloy. {center_dot} The effectiveness of the coating is increasingly evident for long term exposure to the sodium chloride solution. {center_dot} The silanol-based nanocomposite coatings have self-healing ability. - Abstract: A new hybrid sol-gel type film, composed of tetraethylorthosilicate (TEOS) and tetraocthylorthosilicate (TEOCS), and modified with different nanoparticle systems, has been investigated as a coating for protection of AA-2024-T3 aluminium alloy. The nanoparticle systems considered were either ZrO{sub 2} or CeO{sub 2} or their combination{sub .} The zirconia nanoparticles were prepared from a Zr (IV) propoxide sol (TPOZ), using an organic stabilizer, and the CeO{sub 2} nanoparticles were developed spontaneously after adding cerium nitrate solution to the hybrid sol. The chemical composition and the structure of the hybrid sol-gel films were examined by X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and atomic force microscopy (AFM). The corrosion resistance of the coated AA-2024 alloy was examined by potentiodynamic polarization. The results revealed that, for short exposure times in the electrolyte, incorporation of ZrO{sub 2} or CeO{sub 2} nanoparticles in the hybrid film does not provide an increase in the corrosion resistance of the coated AA-2024 alloy. Further, the resistance was significantly reduced by increasing the nanoparticle content. Conversely, by incorporating both nanoparticles (ZrO{sub 2} and CeO{sub 2}), the corrosion resistance of the resulting hybrid films increased slightly. The behavior changed significantly when the coated alloy was exposed to the electrolyte for 5 days. The corrosion resistance of the coatings, unmodified and modified with CeO{sub 2} or Zr

  14. A REVIEW OF OXYGEN-CONTAINING SURFACE GROUPS AND SURFACE MODIFICATION OF ACTIVATED CARBON

    Institute of Scientific and Technical Information of China (English)

    WU Yongwen; LI Zhong; XI Hongxia; XIA Qibin

    2004-01-01

    This review focused on the recent reports related to the function, characterization and modification of oxygen-containing surface groups of activated carbon (AC). The Oxygen-containing surface groups were briefly described, and the most frequently used techniques for characterization of the oxygen-containing surface groups on ACs were also briefly stated. A detailed discussion of the effects of the oxygen-containing surface groups on the adsorptive capacity of AC was given. The recent progresses in modification of the oxygen-containing surface groups of AC were also reviewed.

  15. On fundamental groups related to the Hirzebruch surface F1

    Institute of Scientific and Technical Information of China (English)

    Michael; FRIEDMAN; Mina; TEICHER

    2008-01-01

    Given a projective surface and a generic projection to the plane,the braid monodromy factorization(and thus,the braid monodromy type)of the complement of its branch curve is one of the most important topological invariants,stable on deformations.From this factorization,one can compute the fundamental group of the complement of the branch curve,either in C2 or in CP2.In this article,we show that these groups,for the Hirzebruch surface F1,(a,b),are almost-solvable.That is, they are an extension of a solvable group,which strengthen the conjecture on degeneratable surfaces.

  16. On fundamental groups related to the Hirzebruch surface F1

    Institute of Scientific and Technical Information of China (English)

    Michael FRIEDMAN; Mina TEICHER

    2008-01-01

    Given a.projective surface and a generic projection to the plane,the braid monodromy factorization (and thus,the braid monodromy type) of the complement of its branch curve is one of the most important topological invariants,stable on deformations.From this factorization,one can compute the fundamental group of the complement of the branch curve,either in C2 or in CP2.In this article,we show that these groups,for the Hirzebruch surface F1,(a,b),are almost-solvable.That is,they are an extension of a solvable group,which strengthen the conjecture on degeneratable surfaces.

  17. Sur les Automorphismes de Groupes Libres et de Groupes de Surface

    CERN Document Server

    Paulin, Frédéric

    2011-01-01

    The special linear groups, the mapping class groups of surfaces, the outer autormorphism groups of free groups appear in numerous domains. Their analogies, developped in particular in K. Vogtmann's work, have been written about a lot. In this report, we concentrate on the contractible spaces on which these groups act in an analogous way, on the common properties of their subgroups, and on the similar (or conjecturally similar) properties of their asymptotic geometry.

  18. B-tubular surfaces in Lorentzian Heisenberg Group H3

    Directory of Open Access Journals (Sweden)

    Talat Körpınar

    2015-01-01

    Full Text Available In this paper, B-tubular surfaces in terms of biharmonic spacelike new type B-slant helices according to Bishop frame in the Lorentzian Heisenberg group H3 are studied. The Necessary and sufficient conditions for new type B-slant helices to be biharmonic are obtained. B-tubular surfaces in the cLorentzian Heisenberg group H3 are characterized. Additionally, main results in Figures 1, 2, 3 and 4 are illustrated.

  19. Junctions of surface operators and categorification of quantum groups

    CERN Document Server

    Chun, Sungbong; Roggenkamp, Daniel

    2015-01-01

    We show how networks of Wilson lines realize quantum groups U_q(sl(m)), for arbitrary m, in 3d SU(N) Chern-Simons theory. Lifting this construction to foams of surface operators in 4d theory we find that rich structure of junctions is encoded in combinatorics of planar diagrams. For a particular choice of surface operators we reproduce known mathematical constructions of categorical representations and categorified quantum groups.

  20. Combinatorial materials research applied to the development of new surface coatings XV: an investigation of polysiloxane anti-fouling/fouling-release coatings containing tethered quaternary ammonium salt groups.

    Science.gov (United States)

    Majumdar, Partha; Crowley, Elizabeth; Htet, Maung; Stafslien, Shane J; Daniels, Justin; VanderWal, Lyndsi; Chisholm, Bret J

    2011-05-09

    As part of ongoing efforts aimed at the development of extensive structure−property relationships for moisture-curable polysiloxane coatings containing tethered quaternary ammonium salt (QAS) moieties for potential application as environmental friendly coatings to combat marine biofouling, a combinatorial/high-throughput (C/HT) study was conducted that was focused on four different compositional variables. The coatings that were investigated were derived from solution blends of a silanol-terminated polydimethylsiloxane (HO-PDMS-OH), QAS-functional alkoxysilane, and methyltriacetoxysilane. The compositional variables investigated were alkoxysilane functionality of the QAS-functional silane, chain length of the monovalent alkyl group attached to the QAS nitrogen atom, concentration of the QAS-functional alkoxysilane, and molecular weight of the HO-PDMS-OH. Of these variables, the composition of the alkoxysilane functionality of the QAS-functional silane was a unique variable that had not been previously investigated. The antifouling (AF) and fouling-release (FR) characteristics of the 24 unique coating compositions were characterized using HT assays based on three different marine microorganisms, namely, the two bacteria, Cellulophaga lytica and Halomonas pacifica, and the diatom, Navicula incerta. Coatings surfaces were characterized by surface energy, water contact angle hysteresis, and atomic force microscopy (AFM). A wide variety of responses were obtained over the compositional space investigated. ANOVA analysis showed that the compositional variables and their interactions significantly influenced AF/FR behaviors toward individual marine microorganisms. It was also found that utilization of the ethoxysilane-functional QASs provided enhanced AF character compared to coatings based on methoxysilane-functional analogues. This was attributed to enhanced surface segregation of QAS groups at the coating-air interface and confirmed by phase images using AFM.

  1. Fluorescent quantification of amino groups on silica nanoparticle surfaces.

    Science.gov (United States)

    Chen, Yang; Zhang, Yanqin

    2011-03-01

    Functionalization of the surfaces of silica particles is often the first step in their various applications. An improved heterogeneous Fmoc-Cl fluorescent assay using an aqueous solution was developed to detect the number of amino groups on solid-phase supports. The fluorescent Fmoc-Cl method is 50-fold more sensitive than the current UV assay using an organic solvent. This method, together with the homogeneous fluorescamine and OPA assays, is used to detect amino groups on the silica particle surface. The accuracy and effect factors of these methods were examined and the assays were optimized. The results showed that the amine groups on silica particles can produce stronger fluorescence than small amine molecules in solution, because the porous structure of the particle surface is a more hydrophobic environment. The number of active amino groups that can be conjugated with biomolecules is much less than the total number of amino groups on the silica particle. Compared with physical methods, chemical assays involving direct reaction with amino groups would furnish the closest result to the number of active amino groups on the particle surface.

  2. Kinetics of TEOS surface reactions on SiO{sub 2} between 765 K and 1200 K studied with FTIR

    Energy Technology Data Exchange (ETDEWEB)

    Bartram, M.E.; Moffat, H.K.

    1993-12-31

    To improve process reliability and methods for deposition, it is important to understand the rate-limiting step in TEOS-based (tetraethyl orthosilicate) SiO{sub 2} CVD and its dependence on process conditions. We have used FTIR and isotopically labeled silanols to measure intrinsic kinetics of TEOS reactions on SiO{sub 2}. These measurements were carried out in a cold-wall research reactor under controlled conditions that pertain to TEOS-based CVD processes (10 to 100 mTorr between 765 and 1200 K). We have determined that the E{sub a} for the initial chemisorption step is only 6 kcal/mol between 900 and 1200 K. The initial chemisorption probability is 3 {times} 10{sup {minus}3} and decreases to lower values as the reaction proceeds. In addition, there is a continuous build-up of ethoxy, groups on the surface. This shows that the rate of ethoxy decomposition to SiO{sub 2} and silanols can not keep up with the rate of TEOS chemisorption. It follows that the ethoxy build-up may be responsible for the observed decrease in the TEOS chemisorption probability. If so, this would indicate that ethoxy decomposition is the overall rate-limiting step in SiO{sub 2} CVD. Results also show that silanols are consumed by TEOS surface reactions at CVD temperatures and yet their concentration remains nearly constant as a result of ethoxy decomposition. Therefore, ethoxy decomposition is a key step in TEOS-based SiO{sub 2} CVD since surface ethoxy groups limit the chemisorption probability and also yield the silanols necessary for further TEOS chemisorption. This suggests CVD conditions that alter the ethoxy decomposition rate or decomposition pathway win have an adverse effect on the deposition of conformal films.

  3. Photo-induced free radicals on a simulated Martian surface

    Science.gov (United States)

    Tseng, S.-S.; Chang, S.

    1974-01-01

    Results of an electron spin resonance study of free radicals in the ultraviolet irradiation of a simulated Martian surface suggest that the ultraviolet photolysis of CO or CO2, or a mixture of both, adsorbed on silica gel at minus 170 C involves the formation of OH radicals and possibly of H atoms as the primary process, followed by the formation of CO2H radicals. It is concluded that the photochemical synthesis of organic compounds could occur on Mars if the siliceous surface dust contains enough silanol groups and/or adsorbed H2O in the form of bound water.

  4. Direct quantification of negatively charged functional groups on membrane surfaces

    KAUST Repository

    Tiraferri, Alberto

    2012-02-01

    Surface charge plays an important role in membrane-based separations of particulates, macromolecules, and dissolved ionic species. In this study, we present two experimental methods to determine the concentration of negatively charged functional groups at the surface of dense polymeric membranes. Both techniques consist of associating the membrane surface moieties with chemical probes, followed by quantification of the bound probes. Uranyl acetate and toluidine blue O dye, which interact with the membrane functional groups via complexation and electrostatic interaction, respectively, were used as probes. The amount of associated probes was quantified using liquid scintillation counting for uranium atoms and visible light spectroscopy for the toluidine blue dye. The techniques were validated using self-assembled monolayers of alkanethiols with known amounts of charged moieties. The surface density of negatively charged functional groups of hand-cast thin-film composite polyamide membranes, as well as commercial cellulose triacetate and polyamide membranes, was quantified under various conditions. Using both techniques, we measured a negatively charged functional group density of 20-30nm -2 for the hand-cast thin-film composite membranes. The ionization behavior of the membrane functional groups, determined from measurements with toluidine blue at varying pH, was consistent with published data for thin-film composite polyamide membranes. Similarly, the measured charge densities on commercial membranes were in general agreement with previous investigations. The relative simplicity of the two methods makes them a useful tool for quantifying the surface charge concentration of a variety of surfaces, including separation membranes. © 2011 Elsevier B.V.

  5. Extent of the influence of phosphate buffer and ionic liquids on the reduction of the silanol effect in a C18 stationary phase.

    Science.gov (United States)

    Carda-Broch, S; García-Alvarez-Coque, M C; Ruiz-Angel, M J

    2017-06-01

    The presence of anionic free silanols in the silica-based stationary phases gives rise to broad and asymmetrical peaks when cationic basic compounds are chromatographed using hydro-organic mobile phases. The addition to the mobile phase of a reagent with ionic character prevents the access of analytes to the free silanols, improving the peak shape. The silanol activity can be affected by the buffer concentration and mobile phase pH, factors that are not always considered sufficiently in the literature. In this work, the chromatographic behaviour of three basic β-adrenoceptor antagonists (acebutolol, nadolol and timolol), using mobile phases containing acetonitrile, was examined at different phosphate buffer concentrations (5-50mM) and mobile phase pH (2-8), in the absence and presence of three imidazolium-based ionic liquids (1-ethyl-, 1-butyl- and 1-hexyl-3-methylimidazolium chloride). All factors were evaluated through both the retention and peak shape. The imidazolium cations can block the access of cationic analytes through electrostatic interaction with the anionic silanols, or association with the alkyl chains bound to the stationary phase. In previous reports, the protection mechanism was demonstrated to be directly related to the cation size. The studies in this work reveal that the effectiveness of the mobile phase additive as silanol blocker also depends on the concentration of the buffer anion and the protonation degree of the silanols on the stationary phase. Increasing amounts of phosphate at low pH give rise to increasing retention times. Also, the peak shape is improved, which indicates the influence of phosphate on blocking the activity of free silanols. However, the benefits obtained by the combined effect of buffering the mobile phase at low pH and the use of a bulky additive are lost at pH>6. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Sunspot Groups as Tracers of Sub-Surface Processes

    Indian Academy of Sciences (India)

    Μ. Η. Gokhale

    2000-09-01

    Data on sunspot groups have been quite useful for obtaining clues to several processes on global and local scales within the sun which lead to emergence of toroidal magnetic flux above the sun's surface. I present here a report on such studies carried out at Indian Institute of Astrophysics during the last decade or so.

  7. Surface functional groups and redox property of modified activated carbons

    Institute of Scientific and Technical Information of China (English)

    Zhang Xianglan; Deng Shengfu; Liu Qiong; Zhang Yan; Cheng Lei

    2011-01-01

    A series of activated carbons (ACs) were prepared using HNO3, H2O2 and steam as activation agents with the aim to introduce functional groups to carbon surface in the ACs preparation process. The effects of concentration of activation agent, activation time on the surface functional groups and redox property of ACs were characterized by Temperature Program Desorption (TPD) and Cyclic Voitammetry (CV). Results showed that lactone groups of ACs activated by HNO3 increase with activation time, and the carboxyl groups increase with the concentration of HNO3. Carbonyl/quinine groups of ACs activated by H2O2 increase with the activation time and the concentration of H2O2, although the acidic groups decrease with the concentration of H2O2. The redox property reflected by CV at 0 and 0.5 V is different with any kinds of oxygen functional groups characterized by TPD, but it is consistent with the SO2 catalytic oxidization/oxidation properties indicated by TPR.

  8. Electrical transport properties of graphene on SiO2 with specific surface structures

    OpenAIRE

    Nagashio, K.; Yamashita, T; Nishimura, T.; K. Kita; Toriumi, A.

    2011-01-01

    The mobility of graphene transferred on a SiO2/Si substrate is limited to ~10,000 cm2/Vs. Without understanding the graphene/SiO2 interaction, it is difficult to improve the electrical transport properties. Although surface structures on SiO2 such as silanol and siloxane groups are recognized, the relation between the surface treatment of SiO2 and graphene characteristics has not yet been elucidated. This paper discusses the electrical transport properties of graphene on specific surface stru...

  9. Potential Energy Surfaces Using Algebraic Methods Based on Unitary Groups

    Directory of Open Access Journals (Sweden)

    Renato Lemus

    2011-01-01

    Full Text Available This contribution reviews the recent advances to estimate the potential energy surfaces through algebraic methods based on the unitary groups used to describe the molecular vibrational degrees of freedom. The basic idea is to introduce the unitary group approach in the context of the traditional approach, where the Hamiltonian is expanded in terms of coordinates and momenta. In the presentation of this paper, several representative molecular systems that permit to illustrate both the different algebraic approaches as well as the usual problems encountered in the vibrational description in terms of internal coordinates are presented. Methods based on coherent states are also discussed.

  10. The Surface Groups and Active Site of Fibrous Mineral Materials

    Institute of Scientific and Technical Information of China (English)

    DONG Fa-qin; WAN Pu; FENG Qi-ming; SONG Gong-bao; PENG Tong-jiang; LI Ping; LI Guo-wu

    2004-01-01

    The exposed and transformed groups of fibrous brucite,wollastonite,chrysotile asbestos,sepiolite,palygorskite,clinoptilolite,crocidolite and diatomaceous earth mineral materials are analyzed by IR spectra after acid and alikali etching,strong mechanical and polarity molecular interaction.The results show the active sites concentrate on the ends in stick mineral materials and on the defect or hole edge in pipe mineral materials.The inside active site of mineral materials plays a main role in small molecular substance.The shape of minerals influence their distribution and density of active site.The strong mechanical impulsion and weak chemical force change the active site feature of minerals,the powder process enables minerals exposed more surface group and more combined types.The surface processing with the small polarity molecular or the brand of middle molecular may produce ionation and new coordinate bond,and change the active properties and level of original mineral materials.

  11. Quantum traces for representations of surface groups in SL_2

    CERN Document Server

    Bonahon, Francis

    2010-01-01

    We consider two different quantizations of the character variety consisting of all representations of surface groups in SL_2. One is the skein algebra considered by Przytycki-Sikora and Turaev. The other is the quantum Teichmuller space introduced by Chekhov-Fock and Kashaev. We construct a homomorphism from the skein algebra to the quantum Teichmuller space which, when restricted the classical case, corresponds to the equivalence between these two algebras through trace functions.

  12. Structural, electronic and mechanical properties of inner surface modified imogolite nanotubes

    Directory of Open Access Journals (Sweden)

    Maurício Chagas Da Silva

    2015-03-01

    Full Text Available The electronic, structural and mechanical properties of the modified imogolites have been investigated using self consistent charge-density functional-tight binding method with a posteriori treatment of the dispersion interaction (SCC-DFTB-D. The zigzag (12,0 imogolite has been used as the initial structure for the calculations. The functionalization of the interior (12,0 imogolite nanotubes by organosilanes and by heat treatment leading to the dehydroxylation of the silanols were investigated. The reaction of the silanols with the trimethylmethoxysilanes is favored and the arrangement of the different substitutions that leads to the most symmetrical structures are preferred. The Young moduli and band gaps are slightly decreased. However, the dehydroxylation of the silanol groups in the inner surface of the imogolite leads to the increase of the Young moduli and a drastic decrease of the band gap of about 4.4 eV. It has been shown that the degree of the dehydroxylation can be controlled by heat treatment and tune the band gap, eventually, leading to a semiconductor material with well defined nanotube structure.

  13. New low surface brightness dwarf galaxies in the Centaurus group

    CERN Document Server

    Müller, Oliver; Binggeli, Bruno

    2016-01-01

    We conducted an extensive CCD search for faint, unresolved dwarf galaxies of very low surface brightness in the whole Centaurus group region encompassing the Cen A and M 83 subgroups lying at a distance of roughly 4 and 5 Mpc, respectively. The aim is to significantly increase the sample of known Centaurus group members down to a fainter level of completeness, serving as a basis for future studies of the 3D structure of the group. Following our previous survey of 60 square degrees covering the M 83 subgroup, we extended and completed our survey of the Centaurus group region by imaging another 500 square degrees area in the g and r bands with the wide-field Dark Energy Survey Camera at the 4m Blanco telescope at CTIO. The limiting central surface brightness reached for suspected Centaurus members is $\\mu_r \\approx 29$ mag arcsec$^{-2}$, corresponding to an absolute magnitude $M_r \\approx -9.5$. The images were enhanced using different filtering techniques. We found 41 new dwarf galaxy candidates, which togethe...

  14. Charged group surface accessibility determines micelleplexes formation and cellular interaction

    Science.gov (United States)

    Zhang, Yu; Liu, Yang; Sen, Soumyo; Král, Petr; Gemeinhart, Richard A.

    2015-04-01

    Micelleplexes are a class of nucleic acid carriers that have gained acceptance due to their size, stability, and ability to synergistically carry small molecules. MicroRNAs (miRNAs) are small non-coding RNA gene regulator that is consists of 19-22 nucleotides. Altered expression of miRNAs plays an important role in many human diseases. Using a model 22-nucleotide miRNA sequence, we investigated the interaction between charged groups on the micelle surface and miRNA. The model micelle system was formed from methoxy-poly(ethylene glycol)-b-poly(lactide) (mPEG-PLA) mixed with methoxy-poly(ethylene glycol)-b-poly(lactide)-b-oligoarginine (mPEG-PLA-Rx, x = 8 or 15). Surface properties of the micelles were varied by controlling the oligoarginine block length and conjugation density. Micelles were observed to have a core-shell conformation in the aqueous environment where the PLA block constituted the hydrophobic core, mPEG and oligoarginine formed a hydrophilic corona. Significantly different thermodynamic behaviors were observed during the interaction of single stranded miRNA with micelles of different surface properties, and the resulting micelleplexes mediated substantial cellular association. Depending upon the oligoarginine length and density, micelles exhibited miRNA loading capacity directly related to the presentation of charged groups on the surface. The effect of charged group accessibility of cationic micelle on micelleplex properties provides guidance on future miRNA delivery system design.Micelleplexes are a class of nucleic acid carriers that have gained acceptance due to their size, stability, and ability to synergistically carry small molecules. MicroRNAs (miRNAs) are small non-coding RNA gene regulator that is consists of 19-22 nucleotides. Altered expression of miRNAs plays an important role in many human diseases. Using a model 22-nucleotide miRNA sequence, we investigated the interaction between charged groups on the micelle surface and miRNA. The

  15. Investigation into the surface active groups of coal

    Institute of Scientific and Technical Information of China (English)

    XU Jing-cai; XUE Han-ling; Deng Jun; Wen Hu; ZHANG Xing-hai

    2001-01-01

    The oxidation heat of coal is the direct reason leading to coal spontaneous combustion.When coal is exposed in oxygen atmosphere, the physical adsorption and chemisorption happened, and then which resulting chemical reaction followed heat between coal and oxygen. Owing to the complexity and uncertain of molecular structure of coal, it was only reduced that bridge bonds, side chains and O2-containing functional groups in coal may be prone to oxidation in last year, but not to deeply investigate into the structures and the type of the active radicals. In this paper, according to the last achievements in coal structure research, the hypomethylether bond,hypoalkyl bond of α-carbon atom with hydroxyl and α-carbon atom with hypomethy side chain and hypomettyl bonds linking up two aromatic hydrocarbon in bridge bonds, and methoxy, aldehyde and alkyls of α-carbon atom with hydroxy in side bonds are inferred to be free radical easily to lead to oxidize coal under the ambient temperature and pressure. The order from strong to week of oxide activation of the seven surface active groups is aldehyde side chains, hypomethylether bonds, hypoalkyl bonds of α-carbon atom with hydroxyl, hypoalkyl bonds of α-carbon atom with hypomethyl, hypomethyl bonds linking up two aromatic hydrocarbon, methoxy, alkyls side chains of α-carbon atom with hydroxyl. Because of the two unsaturated molecular tracks of C2, unpaired eleotron clouds of the part of surface active groups of coal enter molecular tracks of O2 to lead to chemisorb on the conjugate effect and induced effect of surface active groups, and then chemical reaction followed heat happens in them. On the basis of change of bond energy, weighted average method is adopted to count the reactionheat value of each mol CO, CO2 and H2O. The property of coal spontaneous combustion is different for the different number and oxidability of the active structure in the coal resulting in the different oxidation heat.

  16. Actions of Baumslag-Solitar groups on surfaces

    CERN Document Server

    Guelman, Nancy

    2010-01-01

    Let BS(1, n) = be the solvable Baumslag-Solitar group, where $ n\\geq 2$. It is known that BS(1, n) is isomorphic to the group generated by the two affine maps of the line : $f_0(x) = x + 1$ and $h_0(x) = nx $. This paper deals with the dynamics of the actions of BS(1, n) on closed orientable surfaces. We exhibit a smooth BS(1,n) action without finite orbits on $\\TT ^2$, we study the dynamical behavior of it and of its $C^1$-pertubations and we prove that it is not locally rigid. We develop a general dynamical study for faithful topological BS(1,n)-actions on closed surfaces. We prove that any such action $$ admits a minimal set included in $fix(f)$ the set of fixed points of $f$, when $fix(f)$ is not empty. When the surface $S$ is closed, orientable of genus at least one, the action $$ is $C^1$ and $f$ is isotopic to identity, then $f$ has zero topological entropy and there exists a positive integer $N$ such that any minimal set is included in $fix(f^N)$. Moreover, if $S$ has genus at least 2, then N=1. We al...

  17. Deformation spaces of Kleinian surface groups are not locally connected

    CERN Document Server

    Magid, Aaron D

    2010-01-01

    For any closed surface $S$ of genus $g \\geq 2$, we show that the deformation space of marked hyperbolic 3-manifolds homotopy equivalent to $S$, $AH(S \\times I)$, is not locally connected. This proves a conjecture of Bromberg who recently proved that the space of Kleinian punctured torus groups is not locally connected. Playing an essential role in our proof is a new version of the filling theorem that is based on the theory of cone-manifold deformations developed by Hodgson, Kerckhoff, and Bromberg.

  18. Tate-Shafarevich groups and K3 surfaces

    Science.gov (United States)

    Corn, Patrick

    2010-01-01

    This paper explores a topic taken up recently by Logan and van Luijk, finding nontrivial 2 -torsion elements of the Tate-Shafarevich group of the Jacobian of a genus- 2 curve by exhibiting Brauer-Manin obstructions to rational points on certain quotients of principal homogeneous spaces of the Jacobian, whose desingularizations are explicit K3 surfaces. The main difference between the methods used in this paper and those of Logan and van Luijk is that the obstructions are obtained here from explicitly constructed quaternion algebras, rather than elliptic fibrations.

  19. Integrable systems twistors, loop groups, and Riemann surfaces

    CERN Document Server

    Hitchin, NJ; Ward, RS

    2013-01-01

    This textbook is designed to give graduate students an understanding of integrable systems via the study of Riemann surfaces, loop groups, and twistors. The book has its origins in a series of lecture courses given by the authors, all of whom are internationally known mathematicians and renowned expositors. It is written in an accessible and informal style, and fills a gap in the existing literature. The introduction by Nigel Hitchin addresses the meaning of integrability: how do werecognize an integrable system? His own contribution then develops connections with algebraic geometry, and inclu

  20. Qudit surface codes and gauge theory with finite cyclic groups

    Energy Technology Data Exchange (ETDEWEB)

    Bullock, Stephen S [IDA Center for Computing Sciences, 17100 Science Drive, Bowie, MD 20715-4300 (United States); Brennen, Gavin K [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, 6020 Innsbruck (Austria)

    2007-03-30

    Surface codes describe quantum memory stored as a global property of interacting spins on a surface. The state space is fixed by a complete set of quasi-local stabilizer operators and the code dimension depends on the first homology group of the surface complex. These code states can be actively stabilized by measurements or, alternatively, can be prepared by cooling to the ground subspace of a quasi-local spin Hamiltonian. In the case of spin-1/2 (qubit) lattices, such ground states have been proposed as topologically protected memory for qubits. We extend these constructions to lattices or more generally cell complexes with qudits, either of prime level or of level d{sup l} for d prime and l {>=} 0, and therefore under tensor decomposition, to arbitrary finite levels. The Hamiltonian describes an exact Z/dZ gauge theory whose excitations correspond to Abelian anyons. We provide protocols for qudit storage and retrieval and propose an interferometric verification of topological order by measuring quasi-particle statistics.

  1. Physicochemical properties of the surfaces of silica species

    Science.gov (United States)

    Roshchina, T. M.; Shoniya, N. K.; Tegina, O. Ya.; Tkachenko, O. P.; Kustov, L. M.

    2017-02-01

    The results from studying the physicochemical characteristics of the adsorption of n-alkanes, arenes, and acetonitrile on silicas of different origins, silica gels, and silochromes are presented. It is shown that increasing the concentration of silanol groups reduces the role of dispersion interactions accompanied by the intensification of specific interactions on silica gels, compared to silochromes. According to diffuse reflectance FTIR spectroscopy data, the acidity of silanol groups on silica gel is in this case less pronounced.

  2. Characterization of Sea Lettuce Surface Functional Groups by Potentiometric Titrations

    Science.gov (United States)

    Ebling, A. M.; Schijf, J.

    2008-12-01

    In pursuit of our ultimate goal to better understand the prodigious capacity of the marine macroalga Ulva lactuca (sea lettuce) for adsorbing a broad range of dissolved trace metals from seawater, we performed an initial characterization of its surface functional groups. Specifically, the number of distinct functional groups as well as their individual bulk concentrations and acid dissociation constants (pKas) were determined by potentiometric titrations in NaCl solutions of various ionic strengths (I = 0.01-5.0 M), under inert nitrogen atmosphere at 25°C. Depending on the ionic strength, Ulva samples were manually titrated down to pH 2 or 3 with 1 N HCl and then up to pH 10 with 1 N NaOH in steps of 0.1-0.2 units, continuously monitoring pH with a glass combination electrode. Titrations of a dehydrated Ulva standard reference material (BCR-279) were compared with fresh Ulva tissue cultured in our laboratory. A titration in filtered natural seawater was also compared with one in an NaCl solution of equal ionic strength. Equilibrium constants for the ionization of water in NaCl solutions as a function of ionic strength were obtained from the literature. Fits to the titration data ([H]T vs. pH) were performed with the FITEQL4.0 computer code using non-electrostatic 3-, 4-, and 5-site models, either by fixing ionic strength at its experimental value or by allowing it to be extrapolated to zero, while considering all functional group pKas and bulk concentrations as adjustable parameters. Since pKas and bulk concentrations were found to be strongly correlated, the latter were also fixed in some cases to further constrain the pKas. Whereas these calculations are currently ongoing, preliminary results point to three, possibly four, functional groups with pKas of about 4.1, 6.3, and 9.5 at I = 0. Bulk concentrations of the three groups are very similar, about 5-6×10-4 mol/g based on dry weight, which suggests that all are homogeneously distributed over the surface and

  3. Periodic Density Functional Theory Study of Water Adsorption on the a-Quartz (101) Surface.

    Energy Technology Data Exchange (ETDEWEB)

    Bandura, Andrei V. [St. Petersburg State University, St. Petersburg, Russia; Kubicki, James D. [Pennsylvania State University; Sofo, Jorge O. [Pennsylvania State University

    2011-01-01

    Plane wave density functional theory (DFT) calculations have been performed to study the atomic structure, preferred H2O adsorption sites, adsorption energies, and vibrational frequencies for water adsorption on the R-quartz (101) surface. Surface energies and atomic displacements on the vacuum-reconstructed, hydrolyzed, and solvated surfaces have been calculated and compared with available experimental and theoretical data. By considering different initial positions of H2O molecules, the most stable structures of water adsorption at different coverages have been determined. Calculated H2O adsorption energies are in the range -55 to -65 kJ/mol, consistent with experimental data. The lowest and the highest O-H stretching vibrational bands may be attributed to different states of silanol groups on the watercovered surface. The dissociation energy of the silanol group on the surface covered by the adsorption monolayer is estimated to be 80 kJ/mol. The metastable states for the protonated surface bridging O atoms (Obr), which may lead to hydrolysis of siloxane bonds, have been investigated. The calculated formation energy of a Q2 center from a Q3 center on the (101) surface with 2/3 dense monolayer coverage is equal to 70 kJ/mol which is in the range of experimental activation energies for quartz dissolution.

  4. Porosity and Surface Properites of SBA-15 with Grafted PNIPAAM: A Water Sorption Calorimetry Study

    Science.gov (United States)

    2011-01-01

    Mesoporous silica SBA-15 was modified in a three-step process to obtain a material with poly-N-isopropylacrylamide (PNIPAAM) grafted onto the inner pore surface. Water sorption calorimetry was implemented to characterize the materials obtained after each step regarding the porosity and surface properties. The modification process was carried out by (i) increasing the number of surface silanol groups, (ii) grafting 1-(trichlorosilyl)-2-(m-/p-(chloromethylphenyl) ethane, acting as an anchor for (iii) the polymerization of N-isopropylacrylamide. Water sorption isotherms and the enthalpy of hydration are presented. Pore size distributions were calculated on the basis of the water sorption isotherms by applying the BJH model. Complementary measurements with nitrogen sorption and small-angle X-ray diffraction are presented. The increase in the number of surface silanol groups occurs mainly in the intrawall pores, the anchor is mainly located in the intrawall pores, and the intrawall pore volume is absent after the surface grafting of PNIPAAM. Hence, PNIPAAM seals off the intrawall pores. Water sorption isotherms directly detect the presence of intrawall porosity. Pore size distributions can be calculated from the isotherms. Furthermore, the technique provides information regarding the hydration capability (i.e., wettability of different chemical surfaces) and thermodynamic information. PMID:21928772

  5. A well-defined mesoporous amine silica surface via a selective treatment of SBA-15 with ammonia

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa

    2012-01-01

    2D double-quantum 1H- 1H NMR unambiguously shows that the "isolated" Si-OH surface silanols of dehydroxylated SBA-15 are converted upon treatment with ammonia into single silylamine surface site Si-NH 2. The "gem" di-silanols (Si(OH) 2) remain intact. Treatment using HMDS produces (Si(OSiMe 3) 2) but leaves Si-NH 2 untouched. The resulting surface is hydrophobic and stable. © The Royal Society of Chemistry 2012.

  6. Veech groups of flat structures on Riemann surfaces

    CERN Document Server

    Shinomiya, Yoshihiko

    2011-01-01

    In this paper, we construct new examples of Veech groups by extending Schmithusen's method for calculating Veech groups of origamis to Veech groups of unramified finite coverings of regular 2n-gons. We show that in our case, the calculations of Veech groups of Abelian coverings always stop.

  7. Effect of pore size and surface chemistry of porous silica on CO2 adsorption

    Directory of Open Access Journals (Sweden)

    Thongthai Witoon

    2012-09-01

    Full Text Available In the present study, porous silica synthesized using sodium silicate as a low-cost raw material was selected as a CO2sorbent. The effects of pore size and amount of silanol content on CO2 adsorption capacity were investigated. The physicalproperties and surface chemistry (silanol content of the porous silica products were characterized by means of N2-physisorption, Fourier transform infrared spectroscopy and thermogravimetric analysis technique. The pore size of the poroussilica materials did not affect the equilibrium CO2 capacity; however the porous silica with large pore size could enhance thediffusion of CO2. The amount of silanol content was found to be a key factor for the CO2 adsorption capacity. A greater CO2adsorption capacity would be obtained with an increase of the silanol concentration on the surface of the porous silicamaterials.

  8. Surface Shear, Persistent Wave Groups and Rogue Waves

    CERN Document Server

    Chafin, Clifford

    2014-01-01

    We investigate the interaction of waves with surface flows by considering the full set of conserved quantities, subtle but important surface elevations induced by wave packets and by directly considering the necessary forces to prevent packet spreading in the deep water limit. Narrow surface shear flows are shown to exert strong localizing and stabilizing forces on wavepackets to maintain their strength and amplify their intensity even in the linear regime. Necessary criticisms of some earlier notions of stress and angular momentum of waves are included and we argue that nonlinearity enters the system in a way that makes the formation of rogue waves nonperturbative. Quantitative bounds on the surface shear flow necessary to stabilize packets of any wave amplitude are given.

  9. The curious moduli spaces of unmarked Kleinian surface groups

    CERN Document Server

    Canary, Richard

    2009-01-01

    Fixing a closed hyperbolic surface S, we define a moduli space AI(S) of unmarked hyperbolic 3-manifolds homotopy equivalent to S. This 3-dimensional analogue of the moduli space M(S) of unmarked hyperbolic surfaces homeomorphic to S has bizarre local topology, possessing many points that are not closed. There is, however, a natural embedding of M(S) into AI(S) and a compactification of AI(S) such that this embedding extends to an embedding of the Deligne-Mumford compactification of M(S) into the compactification of AI(S).

  10. E-Polytopes in Picard Groups of Smooth Rational Surfaces

    Directory of Open Access Journals (Sweden)

    Jae-Hyouk Lee

    2016-04-01

    Full Text Available In this article, we introduce special divisors (root, line, ruling, exceptional system and rational quartic in smooth rational surfaces and study their correspondences to subpolytopes in Gosset polytopes k 21 . We also show that the sets of rulings and exceptional systems correspond equivariantly to the vertices of 2 k 1 and 1 k 2 via E-type Weyl action.

  11. Graphs of groups on surfaces interactions and models

    CERN Document Server

    White, AT

    2001-01-01

    The book, suitable as both an introductory reference and as a text book in the rapidly growing field of topological graph theory, models both maps (as in map-coloring problems) and groups by means of graph imbeddings on sufaces. Automorphism groups of both graphs and maps are studied. In addition connections are made to other areas of mathematics, such as hypergraphs, block designs, finite geometries, and finite fields. There are chapters on the emerging subfields of enumerative topological graph theory and random topological graph theory, as well as a chapter on the composition of English

  12. Quantitative evaluation of interaction force between functional groups in protein and polymer brush surfaces.

    Science.gov (United States)

    Sakata, Sho; Inoue, Yuuki; Ishihara, Kazuhiko

    2014-03-18

    To understand interactions between polymer surfaces and different functional groups in proteins, interaction forces were quantitatively evaluated by force-versus-distance curve measurements using atomic force microscopy with a functional-group-functionalized cantilever. Various polymer brush surfaces were systematically prepared by surface-initiated atom transfer radical polymerization as well-defined model surfaces to understand protein adsorption behavior. The polymer brush layers consisted of phosphorylcholine groups (zwitterionic/hydrophilic), trimethylammonium groups (cationic/hydrophilic), sulfonate groups (anionic/hydrophilic), hydroxyl groups (nonionic/hydrophilic), and n-butyl groups (nonionic/hydrophobic) in their side chains. The interaction forces between these polymer brush surfaces and different functional groups (carboxyl groups, amino groups, and methyl groups, which are typical functional groups existing in proteins) were quantitatively evaluated by force-versus-distance curve measurements using atomic force microscopy with a functional-group-functionalized cantilever. Furthermore, the amount of adsorbed protein on the polymer brush surfaces was quantified by surface plasmon resonance using albumin with a negative net charge and lysozyme with a positive net charge under physiological conditions. The amount of proteins adsorbed on the polymer brush surfaces corresponded to the interaction forces generated between the functional groups on the cantilever and the polymer brush surfaces. The weakest interaction force and least amount of protein adsorbed were observed in the case of the polymer brush surface with phosphorylcholine groups in the side chain. On the other hand, positive and negative surfaces generated strong forces against the oppositely charged functional groups. In addition, they showed significant adsorption with albumin and lysozyme, respectively. These results indicated that the interaction force at the functional group level might be

  13. Homologie cyclique du produit croise algebrique et groupes de surfaces

    NARCIS (Netherlands)

    Bella Baci, A.

    2001-01-01

    Let a group G act on an associative algebra A One can form the algebraic crossed product A G cf which plays the role of a noncommutative quotient in Conness theory The cyclic homology of this algebra was studied extensively in a series of papers It is well known that this homology admits a

  14. Homologie cyclique du produit croise algebrique et groupes de surfaces

    NARCIS (Netherlands)

    Bella Baci, A.

    1997-01-01

    Let a group G act on an associative algebra A One can form the algebraic crossed product A G cf which plays the role of a noncommutative quotient in Conness theory The cyclic homology of this algebra was studied extensively in a series of papers It is well known that this homology admits a

  15. Wave groups in uni-directional surface-wave models

    NARCIS (Netherlands)

    Groesen, van E.

    1998-01-01

    Uni-directional wave models are used to study wave groups that appear in wave tanks of hydrodynamic laboratories; characteristic for waves in such tanks is that the wave length is rather small, comparable to the depth of the layer. In second-order theory, the resulting Nonlinear Schrödinger (NLS) eq

  16. Functionalization of PDMS modified and plasma activated two-component polyurethane coatings by surface attachment of enzymes

    Science.gov (United States)

    Kreider, Alexej; Richter, Katharina; Sell, Stephan; Fenske, Mandus; Tornow, Christian; Stenzel, Volkmar; Grunwald, Ingo

    2013-05-01

    This article describes a new strategy for coupling the enzyme horseradish peroxidase to a two-component polyurethane (2C-PUR) coating. A stable polymer conjugate was achieved by combining the enzyme and the 2C-PUR coating which was modified with poly(dimethylsiloxane) (PDMS), located at the surface. An atmospheric pressure plasma jet system was used to convert alkyl groups from the PDMS into polar silanol functionalities. This conversion was proven by X-ray photoelectron spectroscopy and dynamic contact angle measurements. In addition, the stability of the activated 2C-PUR surface containing silanol groups was determined by measuring the contact angle as a function of time. Compared to the non-modified 2C-PUR systems the one with PDMS displayed a higher stability over a time period over 28 h. In a silanization process the coating was treated with (3-aminopropyl) trimethoxysilane and the enzyme was subsequently immobilized to the coating via the cross linker glutaraldehyde to receive new biomimetic catalytic/enzymatic functions. The chemical immobilization (chemisorption) of the enzyme to the surface showed statistically significant higher biological activity as compared to references samples without using a cross linker (physisorption). The presented technique offers the opportunity to design new and smart multifunctional surface coatings which employ biomimetic capabilities.

  17. Functionalization of PDMS modified and plasma activated two-component polyurethane coatings by surface attachment of enzymes

    Energy Technology Data Exchange (ETDEWEB)

    Kreider, Alexej; Richter, Katharina; Sell, Stephan; Fenske, Mandus; Tornow, Christian; Stenzel, Volkmar [Fraunhofer Institute for Manufacturing Technology and Advanced Materials - IFAM, Wiener Strasse 12, 28359 Bremen (Germany); Grunwald, Ingo, E-mail: ingo.grunwald@ifam.fraunhofer.de [Fraunhofer Institute for Manufacturing Technology and Advanced Materials - IFAM, Wiener Strasse 12, 28359 Bremen (Germany)

    2013-05-15

    This article describes a new strategy for coupling the enzyme horseradish peroxidase to a two-component polyurethane (2C-PUR) coating. A stable polymer conjugate was achieved by combining the enzyme and the 2C-PUR coating which was modified with poly(dimethylsiloxane) (PDMS), located at the surface. An atmospheric pressure plasma jet system was used to convert alkyl groups from the PDMS into polar silanol functionalities. This conversion was proven by X-ray photoelectron spectroscopy and dynamic contact angle measurements. In addition, the stability of the activated 2C-PUR surface containing silanol groups was determined by measuring the contact angle as a function of time. Compared to the non-modified 2C-PUR systems the one with PDMS displayed a higher stability over a time period over 28 h. In a silanization process the coating was treated with (3-aminopropyl) trimethoxysilane and the enzyme was subsequently immobilized to the coating via the cross linker glutaraldehyde to receive new biomimetic catalytic/enzymatic functions. The chemical immobilization (chemisorption) of the enzyme to the surface showed statistically significant higher biological activity as compared to references samples without using a cross linker (physisorption). The presented technique offers the opportunity to design new and smart multifunctional surface coatings which employ biomimetic capabilities.

  18. Surface wave group velocity tomography of East Asia, part 1

    Science.gov (United States)

    Wu, Francis T.

    1993-07-01

    Group velocities of both Rayleigh and Love waves are used in a tomographic inversion to obtain group velocity maps of East Asia (60 deg E-140 deg E and 20 deg N-50 deg N). The period range studied is 30-70 seconds. For periods longer than 40 seconds, a high group velocity gradient clearly exists along longitude 105 deg E; the velocities are noticeably higher east of this longitude than west of this longitude. The Tibetan Plateau appears as a prominent low velocity (about 15%) structure in this area; central Tibet appears as the area with the lowest velocity. The North China Plain is an area of high velocities, probably as a result of thin crust. The variability of deep crustal and upper mantle structures underneath the different tectonic provinces in the study can clearly be seen. In a separate study, using the dataset above and that from the former Soviet Union, we have derived the Rayleigh tomographic images of a larger area (40 deg E-160 deg E and 20 deg N-70 deg N). While the Tibetan plateau still remains to be the most prominent low velocity features, two other features are also clear, a very high velocity Siberian platform and a high velocity ridge extending from Lake Baikal to Central Mongolia. These studies are useful in delineating tectonics.

  19. Generation of Well-Defined Pairs of Silylamine on Highly Dehydroxylated SBA-15: Application to the Surface Organometallic Chemistry of Zirconium

    KAUST Repository

    Azzi, Joachim

    2012-11-01

    Design of a new well-defined surface organometallic species [O-(=Si–NH)2Zr(IV)Np2] has been obtained by reaction of tetraneopentyl zirconium (ZrNp4) on SBA-15 surface displaying mainly silylamine pairs [O-(=Si–NH2)2]. These surface species have been achieved by an ammonia treatment of a highly dehydroxylated SBA-15 at 1000°C (SBA-151000). This support is known to contain mainly strained reactive siloxane bridges (≡Si-O-Si≡)[1] along with a small amount of isolated plus germinal silanols =Si(OH)2. Chemisorption of ammonia occurs primarily by opening these siloxane bridges[2] to generate silanol/silylamine pairs [O-(=Si–NH2)(=SiOH)] followed by substitution of the remaining silanol. Further treatment using hexamethyldisilazane (HMDS) results in the protection of the isolated remaining silanol groups by formation of ≡Si-O-SiMe3 and =Si(OSiMe3)2 but leaves ≡SiNH2 untouched. After reaction of this functionalized surface with ZrNp4, this latter displays mainly a bi-podal zirconium neopentyl organometallic complex [O-(=Si–NH)2Zr(IV)Np2] which has been fully characterized by diverse methods such as infrared transmission spectroscopy, magic angle spinning solid state nuclear magnetic resonance, surface elemental analysis, small angle X-ray powder diffraction (XRD), nitrogen adsorption and energy filtered transmission electron microscopy (EFTEM). These different characterization tools unambiguously prove that the zirconium organometallic complex reacts mostly with silylamine pairs to give a bi-podal zirconium bis-neopentyl complex, uniformly distributed into the channels of SBA-151000. Therefore this new material opens a new promising research area in Surface Organometallic Chemistry which, so far, was dealing mainly with O containing surface. It is expected that vicinal amine functions may play a very different role as compared with classical inorganic supports. Given the importance in the last decades of N containing ligands in catalysis, one may expect

  20. Electrokinetics of Polar Liquids in Contact with Non-Polar Surfaces

    CERN Document Server

    Lin, Chih-Hsiu; Chaudhury, Manoj K

    2014-01-01

    Zeta potentials of several polar protic (water, ethylene glycol, formamide) as well as polar aprotic (dimethyl sulfoxide) liquids were measured in contact with three non-polar surfaces using closed-cell electro-osmosis. The test surfaces were chemisorbed monolayers of alkyl siloxanes, fluoroalkyl siloxanes and polydimethylsiloxanes (PDMS) grafted on glass slides. All these liquids exhibited substantial electrokinetics in contact with the non-polar surfaces with these observations: the electrokinetic effect on the fluorocarbon-coated surface is the strongest; and on a PDMS grafted surface, the effect is the weakest. Even though these hygroscopic liquids contain small amounts of water, the current models of charging based on the adsorption of hydroxide ions at the interface or the dissociation of preexisting functionalities (e.g., silanol groups) appear to be insufficient to account for the various facets of the experimental observations. The results illustrate how ubiquitous the phenomenon of electro-kinetics ...

  1. A simple method for the synthesis of a polar-embedded and polar-endcapped reversed-phase chromatographic packing with low activity of residue silanols.

    Science.gov (United States)

    Liu, Hai-yan; Li, Zhi-yong; Liu, Dan; Xue, Ying-wen; Shi, Zhi-guo

    2016-04-22

    Octadecyl bonded silica (ODS) is the most popular packing for reversed-phase chromatography. However, it generally demonstrates bad resolution for polar analytes because of the residue silanols and its poor stability in aqueous mobile phase. To address the problem, a new reversed-phase packing containing both polar-embedded and polar-endcapped moieties was proposed. It was prepared by a very simple method, in which the epoxide addition reaction of 3-glycidoxypropyltrimethoxysilane with 1-octadecanethiol proceeded simultaneously with the reaction of silane coupling onto silica particles. By controlling the molecular ratio of 3-glycidoxypropyltrimethoxysilane to 1-octadecanethiol higher than 1.0 (1.56 for the present study), both polar-embedded and polar-endcapped moieties were achieved onto the packing. The performance of the packing was evaluated in detail. The results demonstrated that neutral, acidic and basic analytes were well separated on the packing. The column efficiency for phenanthrene was 34,200 theoretical plates per meter. In addition, four nucleotides can be separated in 100% phosphate buffered saline solution with good reproducibility, which indicates the packing has good stability in aqueous mobile phase. Amitriptyline, a typical basic analytes, was eluted out with relatively symmetric peak shape (asymmetry factor of 1.36), which implies that the packing has not suffered from the negative effect of residue silanols significantly. Good stability in buffer solution of pH ranging from 2.0 to 10.0 was also documented for the packing.

  2. Grafting of phosphorylcholine functional groups on polycarbonate urethane surface for resisting platelet adhesion

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Bin [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Feng, Yakai, E-mail: yakaifeng@hotmail.com [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Tianjin University-Helmholtz-Zentrum Geesthacht, Joint Laboratory for Biomaterials and Regenerative Medicine, Weijin Road 92, 300072 Tianjin (China); Key Laboratory of Systems Bioengineering, Ministry of Education, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Lu, Jian; Zhang, Li; Zhao, Miao; Shi, Changcan; Khan, Musammir [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Guo, Jintang [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Tianjin University-Helmholtz-Zentrum Geesthacht, Joint Laboratory for Biomaterials and Regenerative Medicine, Weijin Road 92, 300072 Tianjin (China)

    2013-07-01

    In order to improve the resistance of platelet adhesion on material surface, 2-methacryloyloxyethyl phosphorylcholine (MPC) was grafted onto polycarbonate urethane (PCU) surface via Michael reaction to create biomimetic structure. After introducing primary amine groups via coupling tris(2-aminoethyl)amine (TAEA) onto the polymer surface, the double bond of MPC reacted with the amino group to obtain MPC modified PCU. The modified surface was characterized by Fourier transform infrared (FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS). The results verified that MPC was grafted onto PCU surface by Michael reaction method. The MPC grafted PCU surface had a low water contact angle and a high water uptake. This means that the hydrophilic PC functional groups improved the surface hydrophilicity significantly. In addition, surface morphology of MPC grafted PCU film was imaged by atomic force microscope (AFM). The results showed that the grafted surface was rougher than the blank PCU surface. In addition, platelet adhesion study was evaluated by scanning electron microscopy (SEM) observation. The PCU films after treated with platelet-rich plasma demonstrated that much fewer platelets adhered to the MPC-grafted PCU surface than to the blank PCU surface. The antithrombogenicity of the MPC-grafted PCU surface was determined by the activated partial thromboplastin time (APTT). The result suggested that the MPC modified PCU may have potential application as biomaterials in blood-contacting and some subcutaneously implanted devices. - Highlights: • MPC was successfully grafted onto polycarbonate urethane surface via Michael reaction. • High concentration of PC functional groups on the surface via TAEA molecule • Biomimetic surface modification • The modified surface showed high hydrophilicity and anti-platelet adhesion.

  3. Surface functional group characterization using chemical derivatization X-ray photoelectron spectroscopy (CD-XPS)

    Energy Technology Data Exchange (ETDEWEB)

    Jagst, Eda

    2011-03-18

    Chemical derivatization - X-ray photolectron spectroscopy (CD-XPS) was applied successfully in order to determine different functional groups on thin film surfaces. Different amino group carrying surfaces, prepared by spin coating, self-assembly and plasma polymerization, were successfully investigated by (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Amino groups were derivatized with the widely used primary amino group tags, pentafluorobenzaldehyde (PFB) and 4-(trifluoromethyl)-benzaldehyde (TFBA), prior to analysis. Primary amino group quantification was then carried out according to the spectroscopical data. Self-assembled monolayers (SAMs) of different terminal groups were prepared and investigated with XPS and spectra were compared with reference surfaces. An angle resolved NEXAFS measurement was applied to determine the orientation of SAMs. Plasma polymerized allylamine samples with different duty cycle, power and pressure values were prepared in order to study the effects of external plasma parameters on the primary amino group retention. CD-XPS was used to quantify the amino groups and experiments show, that the milder plasma conditions promote the retention of amino groups originating from the allylamine monomer. An interlaboratory comparison of OH group determination on plasma surfaces of polypropylene treated with oxygen plasma, was studied. The surfaces were investigated with XPS and the [OH] amount on the surfaces was calculated. (orig.)

  4. Interrogating Surface Functional Group Heterogeneity of Activated Thermoplastics Using Super-Resolution Fluorescence Microscopy.

    Science.gov (United States)

    ONeil, Colleen E; Jackson, Joshua M; Shim, Sang-Hee; Soper, Steven A

    2016-04-01

    We present a novel approach for characterizing surfaces utilizing super-resolution fluorescence microscopy with subdiffraction limit spatial resolution. Thermoplastic surfaces were activated by UV/O3 or O2 plasma treatment under various conditions to generate pendant surface-confined carboxylic acids (-COOH). These surface functional groups were then labeled with a photoswitchable dye and interrogated using single-molecule, localization-based, super-resolution fluorescence microscopy to elucidate the surface heterogeneity of these functional groups across the activated surface. Data indicated nonuniform distributions of these functional groups for both COC and PMMA thermoplastics with the degree of heterogeneity being dose dependent. In addition, COC demonstrated relative higher surface density of functional groups compared to PMMA for both UV/O3 and O2 plasma treatment. The spatial distribution of -COOH groups secured from super-resolution imaging were used to simulate nonuniform patterns of electroosmotic flow in thermoplastic nanochannels. Simulations were compared to single-particle tracking of fluorescent nanoparticles within thermoplastic nanoslits to demonstrate the effects of surface functional group heterogeneity on the electrokinetic transport process.

  5. The multilevel analysis of surface acting and mental health: A moderation of positive group affective tone

    Science.gov (United States)

    Lee, Meng-Shiu; Huang, Jui-Chan; Wu, Tzu-Jung

    2017-06-01

    The purpose of this study is to investigate the relationship among surface acting, mental health, and positive group affective tone. According to the prior theory, this study attempts to establish a comprehensive research framework among these variables, and furthermore tests the moderating effect of positive group affective tone. Data were collected from 435 employees in 52 service industrial companies by questionnaire, and this study conducted multilevel analysis. The results showed that surface acting will negatively affect the mental health. In addition, the positive group affective tone have significant moderating effect on the relationship among surface acting and mental health. Finally, this study discusses managerial implications and highlights future research suggestions.

  6. Solids and Their Surfaces: Division B / Commission 14 / Working Group Solids and Their Surfaces

    CERN Document Server

    Vidali, Gianfranco; Henning, Thomas

    2015-01-01

    Just a decade ago, only a handful of laboratories were engaged in the preparation and characterization of cosmic dust analogues and in the study of the formation of molecules on their surfaces. Now more than three dozen laboratories work on such topics. This report summarizes new publications in this field.

  7. In Situ Measurement of Surface Functional Groups on Silica Nanoparticles Using Solvent Relaxation Nuclear Magnetic Resonance.

    Science.gov (United States)

    Yuan, Li; Chen, Lan; Chen, Xiaohong; Liu, Renxiao; Ge, Guanglu

    2017-09-05

    In situ analysis and study on the surface of nanoparticles (NPs) is a key to obtain their important physicochemical properties for the subsequent applications. Of them, most works focus on the qualitative characterization whereas quantitative analysis and measurement on the NPs under their storage and usage conditions is still a challenge. In order to cope with this challenge, solvation relaxation-based nuclear magnetic resonance (NMR) technology has been applied to measure the wet specific surface area and, therefore, determine the number of the bound water molecules on the surface of silica NPs in solution and the hydrophilic groups of various types grafted on the surface of the NPs. By changing the surface functional group on silica particles, the fine distinction for the solvent-particle interaction with different surface group can be quantitatively differentiated by measuring the number of water molecules absorbed on the surface. The results show that the number of the surface hydroxyl, amine, and carboxyl group per nm(2) is 4.0, 3.7, and 2.3, respectively, for the silica particles with a diameter of 203 nm. The method reported here is the first attempt to determine in situ the number of bound solvent molecules and any solvophilic groups grafted on nanoparticles.

  8. Constant Gaussian curvature surfaces in the 3-sphere via loop groups

    DEFF Research Database (Denmark)

    Brander, David; Inoguchi, Jun-Ichi; Kobayashi, Shimpei

    2014-01-01

    In this paper we study constant positive Gauss curvature K surfaces in the 3-sphere S3 with 0constant negative curvature surfaces. We show that the so-called normal Gauss map for a surface in S3 with Gauss curvature K... by the second fundamental form if and only if K is constant. We give a uniform loop group formulation for all such surfaces with K≠0, and use the generalized d’Alembert method to construct examples. This representation gives a natural correspondence between such surfaces with K

  9. Surface modification influencing adsorption of red wine constituents: The role of functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Mierczynska-Vasilev, Agnieszka, E-mail: agnieszka.mierczynska-vasilev@awri.com.au; Smith, Paul A., E-mail: paul.smith@awri.com.au

    2016-11-15

    Highlights: • Chemical surface composition affects behaviour of wine adsorption. • SO{sub 3}H and COOH groups adsorb more of the wine nitrogen-containing compounds. • NH{sub 2} and NR{sub 3} groups encourage carbon-containing compounds adsorption. • Red wine constituents after filtration adsorbed more on NR{sub 3} and CHO surfaces. - Abstract: The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with −SO{sub 3}H and –COOH groups can adsorb more of the wine nitrogen-containing compounds whereas −NH{sub 2} and −NR{sub 3} groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on −NR{sub 3} and –CHO surfaces. The –OH modified surfaces had the lowest ability to absorb wine components.

  10. A New Monodisperse Reactive Resin with Active Groups on the Particle Surface

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A novel reactive resin as active support was synthesized by an improved method based on seed swelling and surface coating polymerization. The resin is monosized beads with inner nucleus of cross-linked polymer and surface layer of copolymer containing epoxy groups. The physico-chemical structures of beads were characterized.

  11. Corrosion-resistant metal surfaces

    Science.gov (United States)

    Sugama, Toshifumi [Wading River, NY

    2009-03-24

    The present invention relates to metal surfaces having thereon an ultrathin (e.g., less than ten nanometer thickness) corrosion-resistant film, thereby rendering the metal surfaces corrosion-resistant. The corrosion-resistant film includes an at least partially crosslinked amido-functionalized silanol component in combination with rare-earth metal oxide nanoparticles. The invention also relates to methods for producing such corrosion-resistant films.

  12. Surface modification influencing adsorption of red wine constituents: The role of functional groups

    Science.gov (United States)

    Mierczynska-Vasilev, Agnieszka; Smith, Paul A.

    2016-11-01

    The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with -SO3H and -COOH groups can adsorb more of the wine nitrogen-containing compounds whereas -NH2 and -NR3 groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on -NR3 and -CHO surfaces. The -OH modified surfaces had the lowest ability to absorb wine components.

  13. Coupling between bulk- and surface chemistry in suspensions of charged colloids

    Science.gov (United States)

    Heinen, M.; Palberg, T.; Löwen, H.

    2014-03-01

    The ionic composition and pair correlations in fluid phases of realistically salt-free charged colloidal sphere suspensions are calculated in the primitive model. We obtain the number densities of all ionic species in suspension, including low-molecular weight microions, and colloidal macroions with acidic surface groups, from a self-consistent solution of a coupled physicochemical set of nonlinear algebraic equations and non-mean-field liquid integral equations. Here, we study suspensions of colloidal spheres with sulfonate or silanol surface groups, suspended in demineralized water that is saturated with carbon dioxide under standard atmosphere. The only input required for our theoretical scheme are the acidic dissociation constants pKa, and effective sphere diameters of all involved ions. Our method allows for an ab initio calculation of colloidal bare and effective charges, at high numerical efficiency.

  14. Surface grafting of carboxylic groups onto thermoplastic polyurethanes to reduce cell adhesion

    Energy Technology Data Exchange (ETDEWEB)

    Alves, P., E-mail: palves@eq.uc.pt [CIEPQPF, Departamento de Engenharia Química, Universidade de Coimbra, Polo II, Pinhal de Marrocos, 3030-790 Coimbra (Portugal); Ferreira, P. [CIEPQPF, Departamento de Engenharia Química, Universidade de Coimbra, Polo II, Pinhal de Marrocos, 3030-790 Coimbra (Portugal); Kaiser, Jean-Pierre [EMPA, St. Gallen, Lerchenfeldstrasse 5, CH-9014 St. Gallen (Switzerland); Salk, Natalie [Mikrofertigung – Micro Engineering, Fraunhofer IFAM, Wiener Strasse 12, D-288359 Bremen (Germany); Bruinink, Arie [EMPA, St. Gallen, Lerchenfeldstrasse 5, CH-9014 St. Gallen (Switzerland); Sousa, Hermínio C. de; Gil, M.H. [CIEPQPF, Departamento de Engenharia Química, Universidade de Coimbra, Polo II, Pinhal de Marrocos, 3030-790 Coimbra (Portugal)

    2013-10-15

    The interaction of polymers with other materials is an important issue, being their surface properties clearly crucial. For some important polymer applications, their surfaces have to be modified. Surface modification aims to tailor the surface characteristics of a material for a specific application without affecting its bulk properties. Materials can be surface modified by using biological, chemical or physical methods. The aim of this work was to improve the reactivity of the thermoplastic polyurethane (TPU) material (Elastollan{sup ®}) surface and to make its surface cell repellent by grafting carboxylic groups onto its surface. Two TPU materials were studied: a polyether-based TPU and a polyester-based TPU. The grafting efficiency was evaluated by contact angle measurements and by analytical determination of the COOH groups. Scanning electron microscopy (SEM) of the membranes surface was performed as well as cell adhesion tests. It was proved that the surfaces of the TPUs membranes were successfully modified and that cell adhesion was remarkably reduced.

  15. XPS study of PBO fiber surface modified by incorporation of hydroxyl polar groups in main chains

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Tao; Hu Dayong; Jin Junhong; Yang Shenglin [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 201620 (China); Li Guang, E-mail: lig@dhu.edu.cn [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 201620 (China); Jiang Jianming [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 201620 (China)

    2010-01-15

    Dihydroxy poly(p-phenylene benzobisoxazole) (DHPBO), a modified poly(p-phenylene benzoxazole) (PBO) polymer containing double hydroxyl groups in polymer chains, was synthesized by copolymerization of 4,6-diamino resorcinol dihydrochloride (DAR), purified terephthalic acid (TA) and 2,5-dihydroxyterephthalic acid (DHTA). DHPBO fibers were prepared by dry-jet wet-spinning method. The effects of hydroxyl polar groups on the surface elemental compositions of PBO fiber were investigated by X-ray photoelectron spectroscopy (XPS). The results show that the ratio of oxygen/carbon on the surface of DHPBO fibers is higher than that on the surface of PBO fibers, which indicates the content of polar groups on the surface of DHPBO fiber increase compared with PBO fiber.

  16. Surface modification with both phosphorylcholine and stearyl groups to adjust hydrophilicity and hydrophobicity

    Energy Technology Data Exchange (ETDEWEB)

    Lv Jiuan; Ma Jiani; Huangfu Pengbo; Yang Shan [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, Department of Chemistry, Northwest University, Xi' an 710069 (China); Gong Yongkuan [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, Department of Chemistry, Northwest University, Xi' an 710069 (China)], E-mail: gongyk@nwu.edu.cn

    2008-11-15

    A new monolayer film with tunable hydrophilicity and hydrophobicity was constructed on glass coverslips by stepwise grafting with both phosphorylcholine (PC) and stearyl groups. The glass coverslips were firstly hydroxylized to provide reactive sites on the surfaces. Subsequently, chlorodimethyl-n-octadecylsilane was chemically adsorbed onto the surface to impart the required hydrophobicity. The remaining hydroxyl groups were grafted with 1,6-diisocyanatohexane. Finally, 2-hydroxy-2-ethylphosphorylcholine was grafted onto the attached isocyanate groups. Dynamic contact angle (DCA) measurement and X-ray photoelectron spectroscopy (XPS) analysis confirmed that the step-by-step modification process was successful. The adsorption of bovine serum albumin and bovine plasma fibrinogen, as well as the adhesion and aggregation of platelets were suppressed with the introduction of phospholipid moieties on the surfaces. This tunable surface may have potential applications in the fields of separation science, tissue engineering, cytobiology, drug delivery and gene therapy.

  17. A new green methodology for surface modification of diatomite filler in elastomers

    Energy Technology Data Exchange (ETDEWEB)

    Lamastra, F.R. [Italian Interuniversity Consortium on Materials Science and Technology (INSTM), Research Unit Roma Tor Vergata, Via del Politecnico 1, 00133, Rome (Italy); Mori, S.; Cherubini, V. [Italian Interuniversity Consortium on Materials Science and Technology (INSTM), Research Unit Roma Tor Vergata, Via del Politecnico 1, 00133, Rome (Italy); Department of Enterprise Engineering, University of Rome ' Tor Vergata' , Via del Politecnico 1, 00133, Rome (Italy); Scarselli, M. [Department of Physics, University of Rome ' Tor Vergata' , Via della Ricerca Scientifica 1, 00133, Rome (Italy); Nanni, F., E-mail: fnanni@ing.uniroma2.it [Italian Interuniversity Consortium on Materials Science and Technology (INSTM), Research Unit Roma Tor Vergata, Via del Politecnico 1, 00133, Rome (Italy); Department of Enterprise Engineering, University of Rome ' Tor Vergata' , Via del Politecnico 1, 00133, Rome (Italy)

    2017-06-15

    In this work a new, simple and green protocol to introduce a limited content of silanol groups on the surface of an hydrophobic diatomite, in order to be slightly hydrophilic and susceptible to be silanized by bifunctional, sulfur-containing organosilanes for rubber applications, is proposed. The chemical modification was carried out at 85 °C in a solution of H{sub 2}O:NaOH:H{sub 2}O{sub 2}. The modified diatomite was then silanized with bis(triethoxysilylpropyl) disulfide by a procedure that does not involve toxic solvent. Morphological features and elemental composition of diatomite were investigated by Field emission scanning electron microscopy coupled with Energy dispersive X-ray spectroscopy. The surface modification and silanization process were assessed by Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy. Diatomite was composed by micrometric frustules from different diatom species with pore size ranging from 25 nm to 1 μm. The spectroscopic characterizations confirmed the surface modification of diatomite with some silanols that acted as sites for silanization reaction. The silanized diatomite and the untreated one were used as filler in unvulcanized solvent-cast SBR films in order to verify that the modification does not negatively affect the polymer/filler interface and as consequence the mechanical properties. Mechanical properties of the realized samples were assessed by uniaxial tensile tests. Films filled with 10 wt% of diatomite (untreated or silanized) showed an increase of Elastic Modulus about of 50% and a decrease of the strain at break with respect to SBR samples, while the tensile strength was not significantly affected by the diatomite addition. SEM images of fracture surfaces of tested specimens showed a fine dispersion of both untreated and silanized diatomite in the polymeric matrix and the achieving of a good interfacial adhesion SBR/fillers. The silanized diatomite, as it is potentially able to bind

  18. Study on the Formation Mechanism of Oxygen-containing Groups on the Surfaces of Hypercrosslinked Polystyrenes

    Institute of Scientific and Technical Information of China (English)

    Guan Hua MENG; Ai Min LI; Lin WU; Fu Qiang LIU; Quan Xing ZHANG

    2006-01-01

    The synthetic parameters were changed to explore the formation mechanism of the oxygen-containing groups on the surfaces of the hypercrosslinked polymers. The FT-IR spectra and the Boehm titration were used to characterize the surface chemistry of the synthesized polymers. The GC-MS was applied to analyze nitrobenzene which was the solvent in the reaction.The functionalities such as carbonyls and phenols were formed through the oxidation of residual chloromethyl groups by nitrobenzene and the carboxylic groups were formed through further oxidation by oxygen. The nitrobenzene was deoxidized to nitrosobenzene and further to aniline.

  19. Some properties of H\\"older surfaces in the Heisenberg group

    CERN Document Server

    Donne, Enrico Le

    2012-01-01

    It is a folk conjecture that for alpha > 1/2 there is no alpha-Hoelder surface in the subRiemannian Heisenberg group. Namely, it is expected that there is no embedding from an open subset of R^2 into the Heisenberg group that is Hoelder continuous of order strictly greater than 1/2. The Heisenberg group here is equipped with its Carnot-Caratheodory distance. We show that, in the case that such a surface exists, it cannot be of essential bounded variation and it intersects some vertical line in at least a topological Cantor set.

  20. Surface developmental dyslexia is as prevalent as phonological dyslexia when appropriate control groups are employed.

    Science.gov (United States)

    Wybrow, Dean P; Hanley, J Richard

    2015-01-01

    Previous investigations of the incidence of developmental surface and phonological dyslexia using reading-age-matched control groups have identified many more phonological dyslexics (poor nonword reading relative to irregular-word reading) than surface dyslexics (poor irregular-word reading relative to nonword reading). However, because the measures that have been used to estimate reading age include irregular-word reading ability, they appear inappropriate for assessing the incidence of surface dyslexia. The current study used a novel method for generating control groups whose reading ability was matched to that of the dyslexic sample. The incidence of surface dyslexia was assessed by comparing dyslexic performance with that of a control group who were matched with the dyslexics on a test of nonword reading. The incidence of phonological dyslexia was assessed with reference to a control group who were matched with the dyslexics at irregular-word reading. These control groups led to the identification of an approximately equal number of children with surface and phonological dyslexia. It appeared that selecting control participants who were matched with dyslexics for reading age led to the recruitment of individuals with relatively high nonword reading scores relative to their irregular-word reading scores compared with other types of control group. The theoretical implications of these findings are discussed.

  1. Influence of substituents and functional groups on the surface composition of ionic liquids.

    Science.gov (United States)

    Kolbeck, Claudia; Niedermaier, Inga; Deyko, Alexey; Lovelock, Kevin R J; Taccardi, Nicola; Wei, Wei; Wasserscheid, Peter; Maier, Florian; Steinrück, Hans-Peter

    2014-04-01

    We have performed a systematic study addressing the surface behavior of a variety of functionalized and non-functionalized ionic liquids (ILs). From angle-resolved X-ray photoelectron spectroscopy, detailed conclusions on the surface enrichment of the functional groups and the molecular orientation of the cations and anions is derived. The systems include imidazolium-based ILs methylated at the C2 position, a phenyl-functionalized IL, an alkoxysilane-functionalized IL, halo-functionalized ILs, thioether-functionalized ILs, and amine-functionalized ILs. The results are compared with the results for corresponding non-functionalized ILs where available. Generally, enrichment of the functional group at the surface is only observed for systems that have very weak interaction between the functional group and the ionic head groups.

  2. Fermat Surface and Group Theory in Symmetry of Rapidity Family in Chiral Potts Model

    CERN Document Server

    Roan, Shi-shyr

    2013-01-01

    The present paper discusses various mathematical aspects about the rapidity symmetry in chiral Potts model (CPM) in the context of algebraic geometry and group theory . We re-analyze the symmetry group of a rapidity curve in $N$-state CPM, explore the universal group structure for all $N$, and further enlarge it to modular symmetries of the complete rapidity family in CPM. As will be shown in the article that all rapidity curves in $N$-state CPM constitute a Fermat hypersurface in $\\PZ^3$ of degree 2N as the natural generalization of the Fermat K3 elliptic surface $(N=2)$, we conduct a thorough algebraic geometry study about the rapidity fibration of Fermat surface and its reduced hyperelliptic fibration via techniques in algebraic surface theory. Symmetries of rapidity family in CPM and hyperelliptic family in $\\tau^{(2)}$-model are exhibited through the geometrical representation of the universal structural group in mathematics.

  3. Confinement effects in π-bonded chains at group IV semiconductor (111) surfaces.

    Science.gov (United States)

    Bonanni, B; Bussetti, G; Violante, A; Chiaradia, P; Goletti, C

    2013-12-04

    The degree of 1D character of surface chains at group IV (111)-2 × 1 reconstructed surfaces is established by surface sensitive optical spectroscopy. Optical experiments on a diamond C(111)-2 × 1 surface show that the absorption peak related to dangling-bond transitions exhibits a marked blueshift upon oxygen exposure of the clean surface. Such behaviour is analogous to that observed on a clean Si(111)-2 × 1 surface. For both surfaces the experimental finding is interpreted in terms of quantum confinement of surface electrons in quasi-one-dimensional π-bonded chains, whose length decreases with oxygen uptake. A different behaviour is observed in Ge(111)-2 × 1, where only a very slight blueshift of the surface-state optical transition is detected upon oxidation. The almost negligible blueshift in Ge(111)-2 × 1 is consistent with a significant coupling between the π-bonded chains resulting in a much less pronounced one-dimensional character of Ge(111)-2 × 1 surface electrons compared to diamond and silicon reconstructed surfaces.

  4. Surface-binding through polyfunction groups of Rhodamine B on composite surface and its high performance photodegradation

    Science.gov (United States)

    Wan, Yiqun; Wang, Xiaofen; Gu, Yun; Guo, Lan; Xu, Zhaodi

    2016-03-01

    A kind of novel composite ZnS/In(OH)3/In2S3 is synthesized using zinc oxide nanoplates as zinc raw material during hydrothermal process. Although the obtained samples are composited of ZnS and In(OH)3 and In2S3 phase, the samples possess different structure, morphology and optical absorption property depending on molar ratio of raw materials. Zeta potential analysis indicates different surface electrical property since various content and particle size of the phases. The equilibrium adsorption study confirms the composite ZnS/In(OH)3/In2S3 with surface negative charge is good adsorbent for Rhodamine B (Rh B) dye. In addition, the degradation of Rh B over the samples with surface negative charge under visible light (λ ≥ 420 nm) is more effective than the samples with surface positive charge. The samples before and after adsorbing Rh B molecule are examined by FTIR spectra and Zetasizer. It is found that the three function groups of Rh B molecule, especially carboxyl group anchors to surface of the sample through electrostatic adsorption, coordination and hydrogen-bond. It contributes to rapid transformation of photogenerated electron to conduction band of In(OH)3 and suppresses the recombination of photogenerated carrier. The possible adsorption modes of Rh B are discussed on the basis of the experiment results.

  5. Dynamic renormalization group study of a generalized continuum model of crystalline surfaces.

    Science.gov (United States)

    Cuerno, Rodolfo; Moro, Esteban

    2002-01-01

    We apply the Nozières-Gallet dynamic renormalization group (RG) scheme to a continuum equilibrium model of a d-dimensional surface relaxing by linear surface tension and linear surface diffusion, and which is subject to a lattice potential favoring discrete values of the height variable. The model thus interpolates between the overdamped sine-Gordon model and a related continuum model of crystalline tensionless surfaces. The RG flow predicts the existence of an equilibrium roughening transition only for d=2 dimensional surfaces, between a flat low-temperature phase and a rough high-temperature phase in the Edwards-Wilkinson (EW) universality class. The surface is always in the flat phase for any other substrate dimensions d>2. For any value of d, the linear surface diffusion mechanism is an irrelevant perturbation of the linear surface tension mechanism, but may induce long crossovers within which the scaling properties of the linear molecular-beam epitaxy equation are observed, thus increasing the value of the sine-Gordon roughening temperature. This phenomenon originates in the nonlinear lattice potential, and is seen to occur even in the absence of a bare surface tension term. An important consequence of this is that a crystalline tensionless surface is asymptotically described at high temperatures by the EW universality class.

  6. Surface hydroxyl groups direct cellular response on amorphous and anatase TiO2 nanodots.

    Science.gov (United States)

    Hong, Yi; Yu, Mengfei; Lin, Jun; Cheng, Kui; Weng, Wenjian; Wang, Huiming

    2014-11-01

    In this study, we investigated the differences between amorphous and anatase TiO2 at the biomolecular level which could explain differences in the osteoblast response on these surfaces. The number of surface hydroxyl groups in the TiOHT form on amorphous and anatase TiO2 was found to be the most important factor, resulting in adsorption of bovine serum albumin as a monolayer on amorphous TiO2 nanodots but as a multilayer on anatase TiO2 nanodots. The reason for this is that the presence of more TiOHT groups on amorphous TiO2 nanodots attracts more -NH3+ groups on BSA molecules, causing the conformation of surface-bound BSA molecules to differ from those adsorbed on anatase TiO2 nanodots. Fibronectin which is subsequently adsorbed on anatase TiO2 nanodots then retains a more active conformation for osteoblast adhesion and mineralization.

  7. Role of specific amine surface configurations for grafted surfaces: implications for nanostructured CO2 adsorbents.

    Science.gov (United States)

    Shimizu, Steven; Song, Changsik; Strano, Michael

    2011-03-15

    Amine-grafted porous materials that capture CO2 from emission streams have been considered to be potential alternatives to the more energy-intensive liquid amine systems currently employed. An underappreciated fact in the uptake mechanism of these materials is that under dry, anhydrous conditions each CO2 molecule must react with two adjacent amine groups to adsorb onto the surface, which makes the configuration of amine groups on the surface critically important. Using this chemical mechanism, we developed a semiempirical adsorption isotherm equation that allows straightforward computation of the adsorption isotherm from an arbitrary surface configuration of grafted amines for honeycomb, square, and triangular lattices. The model makes use of the fact that the distribution of amines with respect to the number of nearest neighbors, referred to as the z-histogram, along with the amine loading and equilibrium constant, uniquely determine the adsorption characteristics to a very good approximation. This model was used to predict the range of uptakes possible just through surface configuration, and it was used to fit experimental data in the literature to give a meaningful equilibrium constant and show how efficiently amines were utilized. We also demonstrate how the model can be utilized to design more efficient nanostructured adsorbents and polymer-based adsorbents. Recommendations for exploiting the role of surface configuration include the use of linear instead of branched polyamines, higher amine grafting densities, the use of flexible, less bulky, long, and rotationally free amine groups, and increased silanol densities.

  8. Manipulation of cellulose nanocrystal surface sulfate groups toward biomimetic nanostructures in aqueous media.

    Science.gov (United States)

    Zoppe, Justin O; Johansson, Leena-Sisko; Seppälä, Jukka

    2015-08-01

    We report a facile aqueous procedure to create multivalent displays of sulfonated ligands on CNCs for future applications as viral inhibitors. CNCs were decorated with model compounds containing sulfonate groups via reactions of epoxides and isothiocyanates with amines under alkaline conditions. At first, surface sulfate groups of CNCs were hydrolytically cleaved by alkaline hydrolysis to increase the number of available surface hydroxyls. Success of desulfation was confirmed via dynamic light scattering (DLS), zeta potential measurements and thermogravimetric analysis (TGA). CNC surface hydroxyl groups were then activated with epichlorohydrin before subsequent reactions. As proof of concept toward aqueous pathways for functionalizing nanoparticles with sulfonated ligands, 3-chloro-2-hydroxy-1-propanesulfonic acid sodium salt hydrate (CPSA) and 4-sulfophenyl isothiocyanate sodium salt monohydrate (4-SPITC) were chosen as model compounds to react with homobifunctional 2,2'-(ethylenedioxy)bis(ethylamine) (EBEA) molecular spacer. The approaches presented are not only applicable to polysaccharide nanocrystals, but also other classes of polymeric and inorganic substrates presenting surface hydroxyl groups, as in the case of poly(2-hydroxyethyl methacrylate) (PHEMA), silica or glass. CNCs carrying sulfonated ligands were characterized by ATR-FTIR and UV-vis spectroscopy. Surface chemical compositions of desired elements were determined via X-ray photoelectron spectroscopy (XPS). We anticipate that with these facile aqueous procedures as the proof of concept, a diverse library of target-specific functionalities can be conjugated to CNCs for applications in nanomedicine, especially related to viral inhibition.

  9. Anomalous wave as a result of the collision of two wave groups on sea surface

    CERN Document Server

    Ruban, V P

    2016-01-01

    The numerical simulation of the nonlinear dynamics of the sea surface has shown that the collision of two groups of relatively low waves with close but noncollinear wave vectors (two or three waves in each group with a steepness of about 0.2) can result in the appearance of an individual anomalous wave whose height is noticeably larger than that in the linear theory. Since such collisions quite often occur on the ocean surface, this scenario of the formation of rogue waves is apparently most typical under natural conditions.

  10. Formation of Amine Groups on the Surface of GaN: A Method for Direct Biofunctionalization

    Science.gov (United States)

    2010-01-01

    the formation of surface sensitive GaN /AlGaN two- dimensional electron gas HEMT devices [5–14]. Furthermore, GaN is robust in aqueous solutions [15...variations are particularly detrimental to GaN HEMT sensors, as they are highly sensitive to the separation between the target and the device surface. Because...locate /apsuscFormation of amine groups on the surface of GaN : A method for direct biofunctionalization R. Stine, B.S. Simpkins, S.P. Mulvaney, L.J

  11. Effect of chain end group on surface glass transition temperature of thin polymer film

    Science.gov (United States)

    Jiang, Xiqun; Yang, Chang Zheng; Tanaka, Keiji; Takahara, Atsushi; Kajiyama, Tisato

    2001-04-01

    Surface glass transition behaviors of proton end capped poly(2-vinylpyridine) (P2VP-H) and perfluoroalkyl end capped poly(2-vinylpyridine) (P2VP-C 2C 8F) thin films were investigated based on temperature-dependent lateral force microscopic (TDLFM) measurement. It is found that the species of chain end groups have significant influence on the surface glass transition temperature of the thin polymer film. For both samples, it is revealed that the surface glass transition temperatures decrease significantly in comparison to the bulk ones, and the magnitude order of reduction in surface Tg for P2VP-C 2C 8F is larger than that for P2VP-H. The apparent activation energy of surface α-relaxation calculated from the Arrhenius plot is ca. 292±40 and 212±40 kJ/mol for P2VP-H and P2VP-C 2C 8F, respectively, and is much smaller than the bulk one. The depression of the surface Tg for thin polymer films is explained by the excess free volume induced by the enrichment of chain end groups at the surface.

  12. Enrichment of Nanodiamond Surfaces with Carboxyl Groups for Doxorubicin Loading and Release

    Science.gov (United States)

    Astuti, Y.; Saputra, F. D.; Wuning, S.; Arnelli; Bhaduri, G.

    2017-02-01

    In their pristine state, nanodiamond crystals produced via detonation techniques containing several functional groups present on the surface including amine, amide, alcohol, carbonyl, and carboxyl. These functional groups facilitate nanodiamond to interact drugs so as to nanodiamond is potential for medical application such as drug delivery. Even though research on t he use of nanodiamond for this application has been conducted widely, research on the effect of enrichment of nanodiamond surface with carboxyl functional groups for drug loading and release has not been explored extensively. Therefore, in this paper, the effect of carboxyl-terminated nanodiamond (ND-COOH) on drug loading and release will be presented. The enrichment of nanodiamond with carboxyl groups was undertaken by treating nanodiamond with sulphuric acid and nitric acid. The results show that the doxorubicin (DOX) loading and release efficiencies of ND pristine are higher than that of ND-COOH.

  13. Highly Dispersed SiO(x)/Al2O3 Catalysts Illuminate the Reactivity of Isolated Silanol Sites.

    Science.gov (United States)

    Mouat, Aidan R; George, Cassandra; Kobayashi, Takeshi; Pruski, Marek; van Duyne, Richard P; Marks, Tobin J; Stair, Peter C

    2015-11-02

    The reaction of γ-alumina with tetraethylorthosilicate (TEOS) vapor at low temperatures selectively yields monomeric SiO(x) species on the alumina surface. These isolated (-AlO)3Si(OH) sites are characterized by PXRD, XPS, DRIFTS of adsorbed NH3, CO, and pyridine, and (29)Si and (27)Al DNP-enhanced solid-state NMR spectroscopy. The formation of isolated sites suggests that TEOS reacts preferentially at strong Lewis acid sites on the γ-Al2O3 surface, functionalizing the surface with "mild" Brønsted acid sites. For liquid-phase catalytic cyclohexanol dehydration, these SiO(x) sites exhibit up to 3.5-fold higher specific activity than the parent alumina with identical selectivity.

  14. Surface Tensions of Ionic Liquids: Non-Regular Trend Along the Number of Cyano Groups

    Science.gov (United States)

    Almeida, Hugo F. D.; Carvalho, Pedro J.; Kurnia, Kiki A.; Lopes-da-Silva, José A.; Coutinho, João A. P.; Freire, Mara G.

    2016-01-01

    Ionic liquids (ILs) with cyano-functionalized anions are a set of fluids that are still poorly characterized despite their remarkably low viscosities and potential applications. Aiming at providing a comprehensive study on the influence of the number of –CN groups through the surface tension and surface organization of ILs, the surface tensions of imidazolium-based ILs with cyano-functionalized anions were determined at atmospheric pressure and in the (298.15 to 343.15) K temperature range. The ILs investigated are based on 1-alkyl-3-methylimidazolium cations (alkyl = ethyl, butyl and hexyl) combined with the [SCN]-, [N(CN)2]−, [C(CN)3]− and [B(CN)4]-anions. Although the well-known trend regarding the surface tension decrease with the increase of the size of the aliphatic moiety at the cation was observed, the order obtained for the anions is more intricate. For a common cation and at a given temperature, the surface tension decreases according to: [N(CN)2]- > [SCN]- > [C(CN)3]- > [B(CN)4]-. Therefore, the surface tension of this homologous series does not decrease with the increase of the number of –CN groups at the anion as has been previously shown by studies performed with a more limited matrix of ILs. A maximum in the surface tension and critical temperature was observed for [N(CN)2]-based ILs. Furthermore, a minimum in the surface entropy, indicative of a highly structured surface, was found for the same class of ILs. All these evidences seem to be a result of stronger hydrogen-bonding interactions occurring in [N(CN)2]-based ILs, when compared with the remaining CN-based counterparts, and as sustained by cation-anion interaction energies derived from the Conductor Like Screening Model for Real Solvents (COSMO-RS). PMID:27642224

  15. Functionalization of oxidized silicon surfaces with methyl groups and their characterization

    Science.gov (United States)

    Schmohl, A.; Khan, A.; Hess, P.

    2004-07-01

    Oxidized silicon surfaces were functionalized with chemically bonded methyl end groups and characterized by means of Fourier transform infrared (FTIR) spectroscopy with the attenuated total reflection (ATR) method, contact angle measurements, scanning force microscopy (SFM), and thermal desorption spectroscopy (TDS). Detailed results are presented for trimethylsilyl (TMS) and pentamethyldisilyl (PMDS) terminated surfaces, which were prepared by silanization with suitable chloro compounds. The IR spectra of the TMS-terminated surface exhibit two CH stretching peaks at 2904 and 2963 cm -1. In the thermal desorption experiments desorption of trimethylsilanol and methane was observed at 550 ∘C. The IR spectra of the PMDS-terminated surface show two CH stretching peaks at 2898 and 2955 cm -1. The thermal desorption spectra indicate cleavage of Si-Si bonds and desorption of trimethylsilane at 530 ∘C. The wetting behavior, adhesion, and mechanical properties were studied by contact angle measurements and SFM. The results are compared with the well-defined Si(111)-(1×1):H surface and a self-assembled monolayer (SAM) on a silicon surface with long hydrocarbon chains, prepared with octadecyltrichlorosilane (OTS, H 3C(CH 2) 17SiCl 3). The water contact angle was 82 ∘ for TMS and 85 ∘ for PMDS end groups. The friction forces measured for the TMS- and PMDS-terminated surfaces were comparable and about 3 times higher than that of the H-terminated silicon and the OTS-SAM surface. The corresponding friction coefficients were 0.17, 0.18, 0.34, and 0.45 for Si(111)-(1×1):H, OTS SAM, TMS, and PMDS surfaces, respectively.

  16. Effects of chemical functional groups on elemental mercury adsorption on carbonaceous surfaces.

    Science.gov (United States)

    Liu, Jing; Cheney, Marcos A; Wu, Fan; Li, Meng

    2011-02-15

    A systematic theoretical study using density functional theory is performed to provide molecular-level understanding of the effects of chemical functional groups on mercury adsorption on carbonaceous surfaces. The zigzag and armchair edges were used in modeling the carbonaceous surfaces to simulate different adsorption sites. The edge atoms on the upper side of the models are unsaturated to simulate active sites. All calculations (optimizations, energies, and frequencies) were made at B3PW91 density functional theory level, using RCEP60VDZ basis set for mercury and 6-31G(d) pople basis set for other atoms. The results indicate that the embedding of halogen atom can increase the activity of its neighboring site which in turn increases the adsorption capacity of the carbonaceous surface for Hg(0). The adsorption belongs to chemisorptions, which is in good agreement with the experimental results. For the effects of oxygen functional groups, lactone, carbonyl and semiquinone favor Hg(0) adsorption because they increase the neighboring site's activity for mercury adsorption. On the contrary, phenol and carboxyl functional groups show a physisorption of Hg(0), and reduce Hg capture. This result can explain the seemingly conflicting experimental results reported in the literature concerning the influence of oxygen functional groups on mercury adsorption on carbonaceous surface.

  17. IMPORTANCE OF ACTIVATED CARBON'S OXYGEN SURFACE FUNCTIONAL GROUPS ON ELEMENTAL MERCURY ADSORPTION

    Science.gov (United States)

    The effect of varying physical and chemical properties of activated carbons on adsorption of elemental mercury [Hg(0)] was studied by treating two activated carbons to modify their surface functional groups and pore structures. Heat treatment (1200 K) in nitrogen (N2), air oxidat...

  18. Interplay of nonlocal response, damping, and low group velocity in surface-plasmon polaritons

    DEFF Research Database (Denmark)

    Raza, Søren; Mortensen, N. Asger

    2016-01-01

    augmented with quantum mechanical corrections, such as the electron spill-out effect and nonlocal response. Here, we discuss the latter and its implications on the waveguiding characteristics, such as dispersion and group velocity, of the surface-plasmon polariton mode supported at a metal-air interface....

  19. Introduction of functional groups of polyethylene surfaces by a carbon dioxide plasma treatment

    NARCIS (Netherlands)

    Terlingen, J.G.A.; Terlingen, Johannes G.A.; Gerritsen, Hermina F.C.; Gerritsen, H.F.C.; Hoffman, Allan S.; Feijen, Jan

    1995-01-01

    Poly(ethylene) (PE) films were treated with a carbon dioxide (CO2) plasma to study the formation of oxygen-containing functional groups at the surface. Modified and nonmodified films were characterized by X-ray photoelectron spectroscopy (XPS) and water contact angle measurements. During the CO2

  20. Dehydrocyclization of peripheral alkyl groups in porphyrins at Cu(100) and Ag(111) surfaces

    Science.gov (United States)

    Williams, Christopher G.; Wang, Miao; Skomski, Daniel; Tempas, Christopher D.; Kesmodel, Larry L.; Tait, Steven L.

    2016-11-01

    The self-assembly of organic and metal-organic species at metal surfaces is a topic of high interest for applications that can benefit from tunable surface functionalization through organic building block design. As the complexity of molecular building blocks increases to direct ordering and function, thermal stability of the adsorbate often increases opening up new surface-catalyzed reaction pathways. We report dehydrocyclization of octaethylporphyrin to tetrabenzoporphyrin on the Cu(100) and Ag(111) surfaces at 500-600 K. Dehydrocyclization of smaller species is not typically observed on these surfaces at low pressure due to short adsorption lifetimes. The dehydrocyclization of peripheral ethyl groups forms benzo groups which then undergo additional dehydrogenation. The reaction products are characterized by high resolution electron energy loss spectroscopy (HREELS), scanning tunneling microscopy (STM), and X-ray photoelectron spectroscopy (XPS). These results extend our understanding of reaction pathways that may be encountered as molecular building blocks increase in size and complexity on relatively inert surfaces.

  1. AFM imaging and analysis of local mechanical properties for detection of surface pattern of functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Knotek, Petr, E-mail: petr.knotek@upce.cz [University of Pardubice, Faculty of Chemical Technology, Joint Laboratory of Solid State Chemistry of IMC ASCR and University of Pardubice, Studentska 573, 532 10 Pardubice (Czech Republic); Chanova, Eliska; Rypacek, Frantisek [Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovskeho sq. 2, 162 06 Prague (Czech Republic)

    2013-05-01

    In this work we evaluate the applicability of different atomic force microscopy (AFM) modes, such as Phase Shift Imaging, Atomic Force Acoustic Microscopy (AFAM) and Force Spectroscopy, for mapping of the distribution pattern of low-molecular-weight biomimetic groups on polymer biomaterial surfaces. Patterns with either random or clustered spatial distribution of bioactive peptide group derived from fibronectin were prepared by surface deposition of functional block copolymer nano-colloids and grafted with RGDS peptide containing the sequence of amino acids arginine–glycine–aspartic acid–serine (conventionally labeled as RGDS) and carrying biotin as a tag. The biotin-tagged peptides were labeled with 40 nm streptavidin-modified Au nanospheres. The peptide molecules were localized through the detection of bound Au nanospheres by AFM, and thus, the surface distribution of peptides was revealed. AFM techniques capable of monitoring local mechanical properties of the surface were proved to be the most efficient for identification of Au nano-markers. The efficiency was successfully demonstrated on two different patterns, i.e. random and clustered distribution of RGDS peptides on structured surface of the polymer biomaterial. Highlights: ► Bioactive peptides for cell adhesion on PLA-b-PEO biomimetic surface were visualized. ► The biotin-tagged RGDS peptides were labeled with streptavidin-Au nanospheres. ► The RGDS pattern was detected using different atomic force microscopy (AFM) modes. ► Phase Shift Image was proved to be suitable method for studying peptide distribution.

  2. Investigating the Interaction of Water Vapour with Aminopropyl Groups on the Surface of Mesoporous Silica Nanoparticles.

    Science.gov (United States)

    Paul, Geo; Musso, Giorgia Elena; Bottinelli, Emanuela; Cossi, Maurizio; Marchese, Leonardo; Berlier, Gloria

    2017-04-05

    The interaction of water molecules with the surface of hybrid silica-based mesoporous materials is studied by (29) Si, (1) H and (13) C solid-state NMR and IR spectroscopy, with the support of ab initio calculations. The surface of aminopropyl-grafted mesoporous silica nanoparticles is studied in the dehydrated state and upon interaction with controlled doses of water vapour. Former investigations described the interactions between aminopropyl and residual SiOH groups; the present study shows the presence of hydrogen-bonded species (SiOH to NH2 ) and weakly interacting "free" aminopropyl chains with restricted mobility, together with a small amount of protonated NH3(+) groups. The concentration of the last-named species increased upon interaction with water, and this indicates reversible and fast proton exchange from water molecules to a fraction of the amino groups. Herein, this is discussed and explained for the first time, by a combination of experimental and theoretical approaches.

  3. Hydrated goethite (alpha-FeOOH) (100) interface structure: Ordered water and surface functional groups.

    Energy Technology Data Exchange (ETDEWEB)

    Ghose, S.K.; Waychunas, G.A.; Trainor, T.P.; Eng, P.J.

    2009-12-15

    Goethite({alpha}-FeOOH), an abundant and highly reactive iron oxyhydroxide mineral, has been the subject of numerous stud-ies of environmental interface reactivity. However, such studies have been hampered by the lack of experimental constraints on aqueous interface structure, and especially of the surface water molecular arrangements. Structural information of this type is crucial because reactivity is dictated by the nature of the surface functional groups and the structure or distribution of water and electrolyte at the solid-solution interface. In this study we have investigated the goethite(100) surface using surface diffraction techniques, and have determined the relaxed surface structure, the surface functional groups, and the three dimensional nature of two distinct sorbed water layers. The crystal truncation rod (CTR) results show that the interface structure consists of a double hydroxyl, double water terminated interface with significant atom relaxations. Further, the double hydroxyl terminated surface dominates with an 89% contribution having a chiral subdomain structure on the(100) cleavage faces. The proposed interface stoichiometry is ((H{sub 2}O)-(H{sub 2}O)-OH{sub 2}-OH-Fe-O-O-Fe-R) with two types of terminal hydroxyls; a bidentate (B-type) hydroxo group and a monodentate (A-type) aquo group. Using the bond-valence approach the protonation states of the terminal hydroxyls are predicted to be OH type (bidentate hydroxyl with oxygen coupled to two Fe{sup 3+} ions) and OH{sub 2} type (monodentate hydroxyl with oxygen tied to only one Fe{sup 3+}). A double layer three dimensional ordered water structure at the interface was determined from refinement of fits to the experimental data. Application of bond-valence constraints to the terminal hydroxyls with appropriate rotation of the water dipole moments allowed a plausible dipole orientation model as predicted. The structural results are discussed in terms of protonation and H-bonding at the interface

  4. Group B Streptococcus surface proteins as major determinants for meningeal tropism.

    Science.gov (United States)

    Tazi, Asmaa; Bellais, Samuel; Tardieux, Isabelle; Dramsi, Shaynoor; Trieu-Cuot, Patrick; Poyart, Claire

    2012-02-01

    Streptococcus agalactiae (group B Streptococcus, GBS), a normal constituent of the intestinal microbiota is the major cause of human neonatal infections and a worldwide spread 'hypervirulent' clone, GBS ST-17, is strongly associated with neonatal meningitis. Adhesion to epithelial and endothelial cells constitutes a key step of the infectious process. Therefore GBS surface-anchored proteins are obvious potential adhesion mediators of barrier crossing and determinant of hypervirulence. This review addresses the most recent molecular insights gained from studies on GBS surface proteins proven to be involved in the crossing of the brain-blood barrier and emphasizes on the specificity of a hypervirulent clone that displays meningeal tropism.

  5. Density functional theory based-study of 5-fluorouracil adsorption on β-cristobalite (1 1 1) hydroxylated surface: The importance of H-bonding interactions

    Energy Technology Data Exchange (ETDEWEB)

    Simonetti, S., E-mail: ssimonet@uns.edu.ar [Universidad Nacional del Sur (UNS)—Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Bahía Blanca (Argentina); Universidad Tecnológica Nacional (UTN), Bahía Blanca (Argentina); Compañy, A. Díaz [Comisión de Investigaciones Científicas (CIC), Buenos Aires (Argentina); Pronsato, E.; Juan, A.; Brizuela, G. [Universidad Nacional del Sur (UNS)—Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Bahía Blanca (Argentina); Lam, A. [Instituto de Ciencia y Tecnología de Materiales (IMRE), Universidad de La Habana (Cuba)

    2015-12-30

    Graphical abstract: - Highlights: • Favorable energies results in optimum four adsorption geometries. • Silanols are partially weakening and establish H-bonds with polar groups of 5-FU drug. • Dispersion forces approach the 5-FU molecule toward the surface. • Electron exchange is presented after adsorption. • H-bonds stabilize the molecule playing significant role in the adsorption mechanism. - Abstract: Silica-based mesoporous materials have been recently proposed as an efficient support for the controlled release of a popular anticancer drug, 5-fluorouracil (5-FU). Although the relevance of this topic, the atomistic details about the specific surface-drug interactions and the energy of adsorption are almost unknown. In this work, theoretical calculations using the Vienna Ab-initio Simulation Package (VASP) applying Grimme's—D2 correction were performed to elucidate the drug–silica interactions and the host properties that control 5-FU drug adsorption on β-cristobalite (1 1 1) hydroxylated surface. This study shows that hydrogen bonding, electron exchange, and dispersion forces are mainly involved to perform the 5-FU adsorption onto silica. This phenomenon, revealed by favorable energies, results in optimum four adsorption geometries that can be adopted for 5-FU on the hydroxylated silica surface. Silanols are weakening in response to the molecule approach and establish H-bonds with polar groups of 5-FU drug. The final geometry of 5-FU adopted on hydroxylated silica surface is the results of H-bonding interactions which stabilize and fix the molecule to the surface and dispersion forces which approach it toward silica (1 1 1) plane. The level of hydroxylation of the SiO{sub 2} (1 1 1) surface is reflected by the elevated number of hydrogen bonds that play a significant role in the adsorption mechanisms.

  6. Perceptual grouping by similarity of surface roughness in haptics: the influence of task difficulty.

    Science.gov (United States)

    Van Aarsen, V; Overvliet, K E

    2016-08-01

    We investigated grouping by similarity of surface roughness in the context of task difficulty. We hypothesized that grouping yields a larger benefit at higher levels of task complexity, because efficient processing is more helpful when more cognitive resources are needed to execute a task. Participants searched for a patch of a different roughness as compared to the distractors in two strips of similar or dissimilar roughness values. We reasoned that if the distractors could be grouped based on similar roughness values, exploration time would be shorter and fewer errors would occur. To manipulate task complexity, we varied task difficulty (high target saliency equalling low task difficulty), and we varied the fingers used to explore the display (two fingers of one hand being more cognitive demanding than two fingers of opposite hands). We found much better performance in the easy condition as compared to the difficult condition (in both error rates and mean search slopes). Moreover, we found a larger effect for the similarity manipulation in the difficult condition as compared to the easy condition. Within the difficult condition, we found a larger effect for the one-hand condition as compared to the two-hand condition. These results show that haptic search is accelerated by the use of grouping by similarity of surface roughness, especially when the task is relatively complex. We conclude that the effect of perceptual grouping is more prominent when more cognitive resources are needed to perform a task.

  7. Microstructuring of thermo-mechanically highly stressed surfaces final report of the DFG research group 576

    CERN Document Server

    Rienäcker, Adrian; Knoll, Gunter; Bach, Friedrich-Wilhelm; Maier, Hans; Reithmeier, Eduard; Dinkelacker, Friedrich

    2015-01-01

    This contributed volume presents the final research results of the DFG Research Group 576, which is a joint initiative of five different institutes of the Leibniz Universität Hannover and the Universität Kassel, Germany. The research of the DFG Research Group 576 focuses on improving the tribological behavior of thermomechanically highly stressed surfaces, particularly on cylinder liner for combustion engines. The target audience primarily comprises researchers and experts in the field but the book may also be beneficial for graduate students who want to specialize in the field.

  8. Evaluation of characteristics on titanium surface treatment for absorption of functional groups

    Institute of Scientific and Technical Information of China (English)

    JIN Guang-chun; PARK Rl-song; PARK Hyeoung-ho; SEO Jae-min; LEE Sook-jeong; LEE Min-ho

    2010-01-01

    Background In order to bind or fix bioactive materials directly to the surface of a Ti implant, the prior binding process of functional groups (FGs, -COOH and -OH) to the implant surface is necessary. Conventional binding processes are so high-cost and complex, so it is essential to find a simple and effective procedure for Ti-FG binding.Methods Various electrolyte compositions and electrochemical processing were adopted in this study to develop a relatively simple and effective Ti-FG binding process. The ability of Ti-FG binding and calcium (Ca)/phosphorous (P)absorption and corrosion resistance were evaluated according to various titanium surface treatment in electrolyte involving -COOH and -OH ion by using X ray photoelectron spectroscopy (XPS), field emission scanning electron microscope (FE-SEM) and potentiodynamic scan method respectively.Results In cases of -COOH, the anodic oxidation process (AN) showed an effective binding ability between -COOH and Ti surface. On the other hand, in cases of -OH, there were no significant differences in the result between the conditions used. In regard to the absorption of Ca and P on Ti surface, there was a minimal amount of Ca absorbed but no P was absorbed. The anodic oxidation series showed homogenous corrosion, whereas the electrolyte immersion (EL)series showed unstable corrosion. Although EL-OH showed a novel corrosion potential, the EL-COOH series showed good corrosion resistance over the anodic potential range.Conclusions The ability of binding between FG and the Ti surface and Ca/P absorption were strongly associated with the surface potential (ξ, potential), which was dependent on the pH of the electrolyte. Accordingly, in order to achieve the effective absorption of various FGs on the Ti surface, it is needed to develop the combination process in addition to the electric affinity, relation with the ξ, potential.

  9. The XPS study of physical and chemical forms of neptunium group on the surface of minerals

    Directory of Open Access Journals (Sweden)

    Teterin Anton Yu.

    2010-01-01

    Full Text Available The sorption behavior and the physical and chemical forms of neptunium on the surface of minerals of the two chlorate samples, biotite and kaolin, with different contents of Fe(II was studied. The liquid-liquid extraction and the X-ray photoelectron spectroscopy were employed to identify the valence forms of neptunium. On the basis of the obtained data the quantitative elemental composition of the surface of the studied minerals, as well as the ionic composition of the formed neptunium complexes was determined. It was shown that the Np(IV and Np(VI containing compounds did not form, while the complexes Np(VO+ -hydroxyl did form on the surface. The oxygen ions bonded with iron and oxygen belonging to water and/or of carboxyl were suggested to be present in the equatorial plane of the neptunyl group NpO+.

  10. Group Theory Analysis of Free Convective Boundary—Layer Behavior at a Stretching Surface

    Institute of Scientific and Technical Information of China (English)

    JunmeiShi; XueziXu; 等

    1995-01-01

    In the present study,free convection and heat transfer behavior of electrically conducting fluid in the boundary layer over a vertical continuously stretching surface is investigated.The effects of free convection,magnetic field,suction/blowing at the surface and the stretching speed of the surface on the flow and heat transfer characteristics are considered.By applying one-parametric group theory to analysis of the problem,a similarity solution is found.The governing equations of continuity,momentum and energy are solved numerically by a fourth-order Runge-Kutta scheme.The numerical results.which are obtained for the flow and heat transfer characteristics,reveal the influences of the parameters.

  11. Detection of functional groups and antibodies on microfabricated surfaces by confocal microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nashat, A.H.; Ferrari, M. [Univ. of California, Berkeley, CA (United States); Moronne, M. [Lawrence Berkeley National Lab., CA (United States)

    1998-10-20

    Fluorescence confocal microscopy was used to characterize micron-sized microfabricated silicon particles and planar oxides surfaces after silanization and immobilization of IgG antibody. Surfaces treated with amino- and mercaptosilanes were tested by the presence of amine and sulfhydryl groups by labeling with specific fluorescein probes. In addition, human antibody (IgG) was immobilized to the thiol-coated microparticles using the heterobifunctional crosslinker succinimidyl 4-(N-maleimidolmthyl)-cyclohexane-1-carboxylate. Estimates of the surface density of IgG were consistent with 8.3% of a monolayer of covalently-bound antibody. Confocal images confirmed uniform layers of both silanes and antibodies on the microparticles. The sensitivity limit for the confocal measurements was determined to be as low as 1.5 x 10{sup {minus}5} fluors per nm{sup 2}.

  12. Wilson loops on Riemann surfaces, Liouville theory and covariantization of the conformal group

    Science.gov (United States)

    Matone, Marco; Pasti, Paolo

    2015-06-01

    The covariantization procedure is usually referred to the translation operator, that is the derivative. Here we introduce a general method to covariantize arbitrary differential operators, such as the ones defining the fundamental group of a given manifold. We focus on the differential operators representing the sl2(ℝ) generators, which in turn, generate, by exponentiation, the two-dimensional conformal transformations. A key point of our construction is the recent result on the closed forms of the Baker-Campbell-Hausdorff formula. In particular, our covariantization receipt is quite general. This has a deep consequence since it means that the covariantization of the conformal group is always definite. Our covariantization receipt is quite general and apply in general situations, including AdS/CFT. Here we focus on the projective unitary representations of the fundamental group of a Riemann surface, which may include elliptic points and punctures, introduced in the framework of noncommutative Riemann surfaces. It turns out that the covariantized conformal operators are built in terms of Wilson loops around Poincaré geodesics, implying a deep relationship between gauge theories on Riemann surfaces and Liouville theory.

  13. The interaction between electrolyte and surfaces decorated with charged groups: A molecular dynamics simulation study.

    Science.gov (United States)

    Calero, Carles; Faraudo, Jordi

    2010-01-14

    In this paper, we perform molecular dynamics simulations of an interface containing charged functional groups of different valences in contact with 2:1 ionic solution. We take into account both the finite sizes of the ions in solution and the functional groups but we neglect the structural details of the solvent (primitive model). We show that the distribution of ions and the electrostatic properties of the system depend strongly on the valence of the interfacial charged groups. In the case of surfaces containing well-separated charged interfacial groups, we observe counterion binding at these groups induced by electrostatic interactions. A detailed analysis of the potential of mean force between interfacial charged groups and ions reveals significant features not anticipated by present theories of electrolytes near interfaces. Overall, our results show that, in primitive models of the ion-interface interaction, not only the ionic size and valence are important but the size and valence of the interfacial charged groups also have a significant impact.

  14. Clifford groups of quantum gates, BN-pairs and smooth cubic surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Planat, Michel [Institut FEMTO-ST, CNRS, 32 Avenue de l' Observatoire, F-25044 Besancon (France); Sole, Patrick [CNRS I3S, Les Algorithmes, Euclide B, 2000 route des Lucioles, BP 121, 06903 Sophia Antipolis (France)

    2009-01-30

    The recent proposal (Planat and Kibler 2008 arXiv:0807.3650 [quant-ph]) of representing Clifford quantum gates in terms of unitary reflections is revisited. In this communication, the geometry of a Clifford group G is expressed as a BN-pair, i.e. a pair of subgroups B and N that generate G, is such that intersection H = B intersection N is normal in G, the group W = N/H is a Coxeter group and two extra axioms are satisfied by the double cosets acting on B. The BN-pair used in this decomposition relies on the swap and match gates already introduced for classically simulating quantum circuits (Jozsa and Miyake 2008 arXiv:0804.4050 [quant-ph]). The two- and three-qubit cases are related to the configuration with 27 lines on a smooth cubic surface. (fast track communication)

  15. Wilson Loops on Riemann Surfaces, Liouville Theory and Covariantization of the Conformal Group

    CERN Document Server

    Matone, Marco

    2015-01-01

    The covariantization procedure is usually referred to the translation operator, that is the derivative. Here we introduce a general method to covariantize arbitrary differential operators, such as the ones defining the fundamental group of a given manifold. We focus on the differential operators representing the sl(2,R) generators, which in turn, generate, by exponentiation, the two-dimensional conformal transformations. A key point of our construction is the recent result on the closed forms of the Baker-Campbell-Hausdorff formula. In particular, our covariantization receipt is quite general. This has a deep consequence since it means that the covariantization of the conformal group is {\\it always definite}. Our covariantization receipt is quite general and apply in general situations, including AdS/CFT. Here we focus on the projective unitary representations of the fundamental group of a Riemann surface, which may include elliptic points and punctures, introduced in the framework of noncommutative Riemann s...

  16. Surface chemistry of the atomic layer deposition of metals and group III oxides

    Science.gov (United States)

    Goldstein, David Nathan

    Atomic Layer Deposition (ALD) is a thin-film growth technique offering precise control of film thickness and the ability to coat high-aspect-ratio features such as trenches and nanopowders. Unlike other film growth techniques, ALD does not require harsh processing conditions and is not limited by line-of-sight deposition. Emerging applications for ALD materials include semiconductor devices, gas sensors, and water-diffusion barriers. The chemistry behind ALD involves understanding how the precursors interact with surfaces to deposit the desired material. All ALD precursors need to be stable on the substrate to ensure self-limiting behavior yet reactive enough to be easily removed with the second reagent. Recent precursor development has provided many volatile organometallic compounds for most of the periodic table. As the number of precursors increases, proper precursor choice becomes crucial. This is because the film properties, growth rates, and growth temperature vary widely between the precursors. Many of the above traits can be predicted with knowledge of the precursor reaction mechanisms. This thesis aims to link surface reaction mechanisms to observed growth and nucleation trends in metal and oxide ALD systems. The first portion of this thesis explores the mechanisms of two ALD oxide systems. First, I examine the mechanism of ALD alumina with ozone. Ozone is used as an oxidant in the semiconductor industry because the deposited Al 2O3 films possess better insulating properties and ozone is easier to purge from a vacuum system. FT-IR analysis reveals a complicated array of surface intermediates such as formate, carbonate, and methoxy groups that form during Al2O3 growth with ozone. Next, a new method to deposit thin films of Ga2O3 is introduced. Gallium oxide is a transparent conducting oxide that needs expensive solid precursors to be deposited by ALD. I show that trimethylgallium is a good high-temperature ALD precursor that deposits films of Ga2O 3 with

  17. Documentation for The Group for High Resolution Sea Surface Temperature (GHRSST) data archived at NODC (NODC Accession 0123222)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Group for High Resolution Sea Surface Temperature (GHRSST) is an international open group for SST data producers, users, and scientists. It brings together...

  18. Control of Surface Functional Groups on Pertechntate Sorption on Activated Carbon

    Energy Technology Data Exchange (ETDEWEB)

    Y. Wang; H. Gao; R. Yeredla; H. Xu; M. Abrecht; G.D. Stasio

    2006-07-05

    {sup 99}Tc is highly soluble and poorly adsorbed by natural materials under oxidizing conditions, thus being of particular concern for radioactive waste disposal. Activated carbon can potentially be used as an adsorbent for removing Tc from aqueous solutions. We have tested six commercial activated carbon materials for their capabilities for sorption of pertechnetate (TcO{sub 4}{sup -}). The tested materials can be grouped into two distinct types: Type I materials have high sorption capabilities with the distribution coefficients (K{sub d}) varying from 9.5 x 10{sup 5} to 3.2 x 10{sup 3} mL/g as the pH changes from 4.5 to 9.5, whereas type II materials have relatively low sorption capabilities with K{sub d} remaining more or less constant (1.1 x 10{sup 3} - 1.8 x 10{sup 3} mL/g) over a similar pH range. The difference in sorption behavior between the two types of materials is attributed to the distribution of surface functional groups. The predominant surface groups are identified to be carboxylic and phenolic groups. The carboxylic group can be further divided into three subgroups A, B, and C in the order of increasing acidity. The high sorption capabilities of type I materials are found to be caused by the presence of a large fraction of carboxylic subgroups A and B, while the low sorption capabilities of type II materials are due to the exclusive presence of phenolic and carboxylic subgroup C. Therefore, the performance of activated carbon for removing TcO{sub 4}{sup -} can be improved by enhancing the formation of carboxylic subgroups A and B during material processing.

  19. Maternal ABO and rhesus blood group phenotypes and hepatitis B surface antigen carriage.

    Science.gov (United States)

    Lao, T T; Sahota, D S; Chung, M-K; Cheung, T K W; Cheng, Y K Y; Leung, T Y

    2014-11-01

    In view of a persistently high prevalence of hepatitis B surface antigen (HBsAg) carriage in our obstetric population, we examined the association between HBsAg carriage with maternal ABO and rhesus (Rh) blood group phenotypes determined at routine antenatal screening. In a retrospective study, the antenatal screening results of women booked for confinement between 1998 and 2011 in our hospital were examined for the relationship between HBsAg carriage with the ABO and rhesus blood groups, taking into account also the effects of advanced maternal age (≥ 35 years) and parity status (nulliparous or multiparous), and year of birth before or following the availability of the hepatitis B vaccine (1984). HBsAg carriage was found in 9.9%, 9.6%, 9.1% and 10.2% (P = 0.037) for group-A (n = 20 581 or 26.1%), -B (n = 20 744 or 26.4%), -AB (n = 5138 or 6.5%) and -O (n = 32 242 or 41.0%) among the 78705 women in the study cohort. Rhesus negativity was found in 0.6%, and HBsAg carriage was 12.3% and 9.8%, respectively, for the Rh-negative and Rh-positive women (P = 0.071). Carriage rate between group-O and non-O was influenced by nulliparity, age ≥ 35 years and Rh-positive status. Regression analysis indicated that group-B (P = 0.044, aOR = 1.062, 95% CI 1.002-1.127) and group-AB (P = 0.016, aOR = 1.134, 95% CI 1.024-1.256) were associated with HBsAg carriage. Blood groups-B and -AB are associated with increased hepatitis B virus (HBV) infection in our population, and further studies are warranted to elucidate the implications of this on the sequelae of HBV infection.

  20. Operable Unit 3-13, Group 3, Other Surface Soils (Phase I) Remedial Action Report

    Energy Technology Data Exchange (ETDEWEB)

    L. Davison

    2007-07-31

    This Remedial Action Report summarizes activities undertaken to remediate the Operable Unit 3-13, Group 3, Other Surface Soils, Phase I sites at the Idaho Nuclear Technology and Engineering Center at the Idaho National Laboratory Site. The 10 sites addressed in this report were defined in the Operable Unit 3-13 Record of Decision and subsequent implementing documents. This report concludes that remediation requirements and cleanup goals established for these 10 sites have been accomplished and are hereafter considered No Action or No Further Action sites.

  1. Determination of surface areas and functional group in carbons by immersion microcalorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Baquero-Haeberlin, M.C.; Giraldo, L.; Moreno, J.C.; Gomez, A. [Universidad Nacional de Colombia, Santafe de Bogota (Colombia). Dept. de Quimica

    1997-12-31

    A batch-type heat conduction microcalorimeter is designed and constructed for the determination of immersion heats of microporous solids in polar and non polar solvents. The equipment was employed in the determination of surface areas of several activated carbons, ranging from 250 to 1500 m{sup 2} g{sup -1}, with imprecision of 0.45%. The results are in concordance with the theoretical predictions of Stoeckli-Kraehnbuehl and Stoeckli-Bansal-Donnet equation. The immersion heats of activated carbons in 0.1 M NaOH and 0.1 M HCl were determinated and related to the number of acid and basic groups. (orig.)

  2. The Hitchin-Kobayashi correspondence, Higgs pairs and surface group representations

    CERN Document Server

    Garcia-Prada, Oscar; Riera, Ignasi Mundet i

    2009-01-01

    We develop a complete Hitchin-Kobayashi correspondence for twisted pairs on a compact Riemann surface X. The main novelty lies in a careful study of the the notion of polystability for pairs, required for having a bijective correspondence between solutions to the Hermite-Einstein equations, on one hand, and polystable pairs, on the other. Our results allow us to establish rigorously the homemomorphism between the moduli space of polystable G-Higgs bundles on X and the character variety for representations of the fundamental group of X in G. We also study in detail several interesting examples of the correspondence for particular groups and show how to significantly simplify the general stability condition in these cases.

  3. Graft polymerization of styrene initiated by covalently bonded peroxide groups on silica.

    Science.gov (United States)

    Bachmann, Stefan; Wang, Hongyu; Albert, Klaus; Partch, Richard

    2007-05-01

    The graft polymerization of styrene initiated by immobilized peroxide groups was investigated. Three different types of modification reactions were used to introduce peroxide groups which are directly attached onto the surface of two different silica supports. Silanol groups were chlorinated using thionyl chloride or tetrachlorosilane. In another reaction pathway 1,3,5-benzenetricarbonyl chloride enabled the introduction of free acid chloride residues bonded onto the surface of silica. tert-Butyl hydroperoxide (TBHP) was used to transform the chlorosilyl and the acid chloride groups into peroxide residues. In a further reaction step the covalently bonded peroxides initiated the polymerization of styrene to form grafted polystyrene directly attached onto the silica support. Solid-state 13C CP/MAS NMR spectroscopy, and thermogravimetric and scanning electron microscope measurements enabled a clear structure and property elucidation of the different bonded phases. The highest amount of grafted polystyrene was achieved employing the acid chloride synthesis pathway with silica-gel, whereas modification of spherical silica only led to minor amounts of grafted polymer. The results contribute to the evolving need to understand particle surface modifications and may have positive impact on development of new HPLC stationary phases for improved elutant resolution.

  4. Modified PAMAM dendrimer with 4-carbomethoxypyrrolidone surface groups reveals negligible toxicity against three rodent cell-lines

    DEFF Research Database (Denmark)

    Janaszewska, Anna; Ciolkowski, Michal; Wróbel, Dominika;

    2013-01-01

    Modification of the surface groups of dendrimers is one of the methods to improve their biocompatibility. This article presents results of experiments related to the toxicity of a modified polyamidoamine (PAMAM) dendrimer of the fourth generation with 4-carbomethoxypyrrolidone surface groups (PAM...

  5. Alternative splicing of a group II intron in a surface layer protein gene in Clostridium tetani.

    Science.gov (United States)

    McNeil, Bonnie A; Simon, Dawn M; Zimmerly, Steven

    2014-02-01

    Group II introns are ribozymes and retroelements found in bacteria, and are thought to have been the ancestors of nuclear pre-mRNA introns. Whereas nuclear introns undergo prolific alternative splicing in some species, group II introns are not known to carry out equivalent reactions. Here we report a group II intron in the human pathogen Clostridium tetani, which undergoes four alternative splicing reactions in vivo. Together with unspliced transcript, five mRNAs are produced, each encoding a distinct surface layer protein isoform. Correct fusion of exon reading frames requires a shifted 5' splice site located 8 nt upstream of the canonical boundary motif. The shifted junction is accomplished by an altered IBS1-EBS1 pairing between the intron and 5' exon. Growth of C. tetani under a variety of conditions did not result in large changes in alternative splicing levels, raising the possibility that alternative splicing is constitutive. This work demonstrates a novel type of gene organization and regulation in bacteria, and provides an additional parallel between group II and nuclear pre-mRNA introns.

  6. Tunable Oxygen Functional Groups as Electrocatalysts on Graphite Felt Surfaces for All-Vanadium Flow Batteries.

    Science.gov (United States)

    Estevez, Luis; Reed, David; Nie, Zimin; Schwarz, Ashleigh M; Nandasiri, Manjula I; Kizewski, James P; Wang, Wei; Thomsen, Edwin; Liu, Jun; Zhang, Ji-Guang; Sprenkle, Vincent; Li, Bin

    2016-06-22

    A dual oxidative approach using O2 plasma followed by treatment with H2 O2 to impart oxygen functional groups onto the surface of a graphite felt electrode. When used as electrodes for an all-vanadium redox flow battery (VRB) system, the energy efficiency of the cell is enhanced by 8.2 % at a current density of 150 mA cm(-2) compared with one oxidized by thermal treatment in air. More importantly, by varying the oxidative techniques, the amount and type of oxygen groups was tailored and their effects were elucidated. It was found that O-C=O groups improve the cells performance whereas the C-O and C=O groups degrade it. The reason for the increased performance was found to be a reduction in the cell overpotential after functionalization of the graphite felt electrode. This work reveals a route for functionalizing carbon electrodes to improve the performance of VRB cells. This approach can lower the cost of VRB cells and pave the way for more commercially viable stationary energy storage systems that can be used for intermittent renewable energy storage.

  7. The surface reactivity of chalk (biogenic calcite) with hydrophilic and hydrophobic functional groups

    Science.gov (United States)

    Okhrimenko, D. V.; Dalby, K. N.; Skovbjerg, L. L.; Bovet, N.; Christensen, J. H.; Stipp, S. L. S.

    2014-03-01

    results obtained here are for surfaces fully covered by several layers of adsorbate and use the Owens-Wendt approach (Owens and Wendt, 1969). Our probe molecules (water and ethanol) are also more polar than the probe molecules used for the IGC experiments (dichloromethane and ethyl acetate), which probably leads to overestimation of values for the polar component of the surface energy.The total surface energy of the calcite samples that we obtained is close to reports for marble (Janczuk et al., 1983) and calcite (Goujon and Mutaftschiev, 1976; Okayama et al., 1997). There are, however, considerable differences in the values reported by different groups and in one case (Douillard et al., 1995), values reported are three times higher than our observations. We propose that the history of the samples, thus what is adsorbed on the surfaces, has a great deal to do with the surface tension measured.

  8. Catalytic conversion of aliphatic alcohols on carbon nanomaterials: The roles of structure and surface functional groups

    Science.gov (United States)

    Tveritinova, E. A.; Zhitnev, Yu. N.; Chernyak, S. A.; Arkhipova, E. A.; Savilov, S. V.; Lunin, V. V.

    2017-03-01

    Carbon nanomaterials with the structure of graphene and different compositions of the surface groups are used as catalysts for the conversion of C2-C4 aliphatic alcohols. The conversions of ethanol, propanol- 1, propanol-2, butanol-1, butanol-2, and tert-butanol on carbon nanotubes, nanoflakes, and nanoflakes doped with nitrogen are investigated. Oxidized and nonoxidized multiwalled carbon nanotubes, nanoflakes, and nanoflakes doped with nitrogen are synthesized. X-ray diffraction analysis, X-ray photoelectron spectroscopy, scanning and transmission electronic microscopies, Brunauer-Emmett-Teller method, derivatographic analyses, and the pulsed microcatalytic method are used to characterize comprehensively the prepared catalysts. It was established that all of the investigated carbon nanomaterials (with the exception of nondoped carbon nanoflakes) are bifunctional catalysts for the conversion of aliphatic alcohols, and promote dehydration reactions with the formation of olefins and dehydrogenation reactions with the formation of aldehydes or ketones. Nanoflakes doped with nitrogen are inert with respect to secondary alcohols and tert-butanol. The role of oxygen-containing and nitrogen-containing surface groups, and of the geometrical structure of the carbon matrix of graphene nanocarbon materials in the catalytic conversion of aliphatic alcohols, is revealed. Characteristics of the conversion of aliphatic alcohols that are associated with their structure are identified.

  9. Hyphal responses of Neurospora crassa to micron-sized beads with functional chemical surface groups

    Science.gov (United States)

    Held, Marie; Edwards, Clive; Nicolau, Dan V.

    2011-02-01

    Filamentous fungi include serious plant and animal pathogens that explore their environment efficiently in order to penetrate the host. This environment is physically and chemically heterogeneous and the fungi rely on specific physical and chemical signals to find the optimal point/s of attack. This study presents a methodology to introduce distinct structures with dimensions similar to the hyphal diameter and specific chemical surface groups into a controllable environment in order to study the fungal response. We introduced 3.3 μm polystyrene beads covered with Epoxy surface groups into microfluidic channels made from PDMS by rapid replica molding. The experimental setup resulted in different areas with low and high densities of beads as well as densely packed patches. The observations of the fungus exploring the areas long-term showed that the growth parameters were altered significantly, compared with the values measured on agar. The fungus responded to both, the physical and chemical parameters of the beads, including temporary directional changes, increased branching angles, decreased branching distances, decreased apical extension velocities and occasional cell wall lysis. The wealth and magnitude of the observed responses indicates that the microfluidic structures provide a powerful platform for the investigation of micron-sized features on filamentous fungi.

  10. Reflection properties of road surfaces. Contribution to OECD Scientific Expert Group AC4 on Road Surface Characteristics.

    NARCIS (Netherlands)

    Schreuder, D.A.

    1983-01-01

    Photometric characteristics of road surfaces are dealt with. Representation of reflection properties in public lighting; quality criteria of road lighting installations; classification of road surfaces; the relation between reflection characteristics and other properties of road pavements in public

  11. Reflection properties of road surfaces. Contribution to OECD Scientific Expert Group AC4 on Road Surface Characteristics.

    NARCIS (Netherlands)

    Schreuder, D.A.

    1983-01-01

    Photometric characteristics of road surfaces are dealt with. Representation of reflection properties in public lighting; quality criteria of road lighting installations; classification of road surfaces; the relation between reflection characteristics and other properties of road pavements in public

  12. Mapping the interfacial binding surface of human secretory group IIa phospholipase A2.

    Science.gov (United States)

    Snitko, Y; Koduri, R S; Han, S K; Othman, R; Baker, S F; Molini, B J; Wilton, D C; Gelb, M H; Cho, W

    1997-11-25

    Human secretory group IIa phospholipase A2 (hIIa-PLA2) contains a large number of prominent cationic patches on its molecular surface and has exceptionally high affinity for anionic surfaces, including anionic membranes. To identify the cationic amino acid residues that support binding of hIIa-PLA2 to anionic membranes, we have performed extensive site-directed mutagenesis of this protein and measured vesicle binding and interfacial kinetic properties of the mutants using polymerized liposomes and nonpolymerized anionic vesicles. Unlike other secretory PLA2s, which have a few cationic residues that support binding of enzyme to anionic membranes, interfacial binding of hIIa-PLA2 is driven in part by electrostatic interactions involving a number of cationic residues forming patches on the putative interfacial binding surface. Among these residues, the amino-terminal patch composed of Arg-7, Lys-10, and Lys-16 makes the most significant contribution to interfacial adsorption, and this is supplemented by contributions from other patches, most notably Lys-74/Lys-87/Arg-92 and Lys-124/Arg-127. For these mutants, complete vesicle binding occurs in the presence of high vesicle concentrations, and under these conditions the mutants display specific activities comparable to that of wild-type enzyme. These studies indicate that electrostatic interactions between surface lysine and arginine residues and the interface contribute to interfacial binding of hIIa-PLA2 to anionic vesicles and that cationic residues closest to the opening of the active-site slot make the most important interactions with the membrane. However, because the wild type binds extremely tightly to anionic vesicles, it was not possible to exactly determine what fraction of the total interfacial binding energy is due to electrostatics.

  13. Evolution of the surface polar character of pyrogenic silicas, with their grafting ratios by dimethylchlorosilane, studied by microcalorimetry.

    Science.gov (United States)

    Donnet, Jean-Baptiste; Ridaoui, Hassan; Balard, Henri; Barthel, Herbert; Gottschalk-Gaudig, Torsten

    2008-09-01

    The interactions of water, hexamethyldisiloxane, and dodecane with pyrogenic silica samples, modified by a controlled partial silylation with dimethyldichlorosilane, were studied by microcalorimetry and wettability measurements. The samples, having a coverage ratio lower than dimethylsilyl (DMS) monolayer capacity ( approximately 2.6 DMS/nm(2)), show a regular and linear decrease of their heat of immersion into water with the coverage ratio and correlate with the increase of residual silanol groups. Two critical coverage ratios were evidenced at about 25 and 50% of the DMS monolayer capacity, the grafted silica remaining hydrophilic, below 25% being strongly hydrophobic beyond. The heat of immersion into hexamethyldisiloxane decreases until 50% of the DMS monolayer whereas that of dodecane remains independent of the grafting ratio. This study demonstrates that the water/residual free silica surface plays the main role in the stabilization of the W/O Pickering's emulsions.

  14. Tunable oxygen functional groups as electro-catalysts on graphite felt surfaces for all vanadium flow batteries

    Energy Technology Data Exchange (ETDEWEB)

    Estevez, Luis; Reed, David M.; Nie, Zimin; Schwarz, Ashleigh M.; Nandasiri, Manjula I.; Kizewski, James P.; Wang, Wei; Thomsen, Edwin C.; Liu, Jun; Zhang, Jiguang; Sprenkle, Vincent L.; Li, Bin

    2016-06-22

    We decorated the surfaces of graphite felts with some oxygen-containing functional groups, such as C-OH, O=C and HO-C=O. And the mole ratios and amounts of these functional groups were effectively adjusted on the graphite surface by a particular method. The catalytic effects of amounts and mole ratio of different kinds of functional groups on VRB electrode performances were investigated in detail.

  15. Polyoxometalate (POM)-based, multi-functional, inorganic-organic, hybrid compounds: syntheses and molecular structures of silanol- and/or siloxane bond-containing species grafted on mono- and tri-lacunary Keggin POMs.

    Science.gov (United States)

    Aoki, Shotaro; Kurashina, Takayuki; Kasahara, Yuhki; Nishijima, Tadashi; Nomiya, Kenji

    2011-02-14

    Using 3-mercaptopropyltrimethoxysilane (HS(CH₂)₃Si(OMe)₃) as a silane-coupling agent (SCA), mono- and tri-lacunary Keggin polyoxometalate (POM)-based, multi-functional, inorganic-organic, hybrid compounds, (Et₄N)₃[α-PW₁₁O₃₉{(HS(CH₂)₃Si)₂O}] EtN-1 (the 1 : 2 complex of a POM unit and organosilyl groups), (Bu₄N)₃[A-PW₉O₃₄(HS(CH₂)₃SiOH)₃] BuN-2 (the 1 : 3 complex) and (Bu₄N)₃[A-α-PW₉O₃₄(HS(CH₂)₃SiO)₃(Si(CH₂)₃SH)] BuN-3 (the 1 : 4 complex) were synthesized and unequivocally characterized by elemental analysis, thermogravimetric and differential thermal analyses (TG/DTA), FTIR, solid-state (²⁹Si and ³¹P) CPMAS NMR, solution (²⁹Si, ³¹P, ¹H and ¹³C) NMR, and X-ray crystallography. [Note: The moieties of their polyoxoanions are abbreviated simply as 1-3, respectively.] The X-ray molecular structures of EtN-1 and BuN-3 were determined. In EtN-1, two organic groups connected through a siloxane bond (-Si-O-Si- bond) were grafted on a mono-lacunary site of a Keggin POM, whereas in BuN-3 four organic groups connected through siloxane bonds were grafted on a tri-lacunary site of a Keggin POM. In BuN-2, three organic groups were grafted in the form of silanol (-SiOH) on a tri-lacunary site, i.e., in BuN-2 there was no siloxane bond. BuN-3 was synthesized as BuN-3a and BuN-3b by two methods, respectively; (1) BuN-3a was obtained by a 1 : 1 molar-ratio reaction of BuN-2 and an SCA in CH₃CN, and (2) BuN-3b was prepared by a direct 1 : 4 molar-ratio reaction of a tri-lacunary Keggin POM and SCA in water-CH₃CN. X-Ray crystallography revealed that BuN-3a is the same as BuN-3b. It is probable that BuN-2 is an intermediate in the formation of BuN-3. Terminal -SH groups in 1-3, as well as -OH groups in 2, can be utilized for immobilization of POMs and, also, as building blocks for the formation of novel hybrid compounds.

  16. Simple coupling chemistry linking carboxyl-containing organic molecules to silicon oxide surfaces under acidic conditions.

    Science.gov (United States)

    Schmidt, Sebastian W; Christ, Timo; Glockner, Christian; Beyer, Martin K; Clausen-Schaumann, Hauke

    2010-10-05

    The coupling chemistry of carboxymethylated amylose with organo-silanized silicon oxide surfaces at pH 7.4 and 2.0 was investigated using atomic force microscopy (AFM) based single-molecule force spectroscopy. At close to neutral pH, carbodiimide activation of a carboxylic acid affords formation of an amide bond with an amino surface linker. At pH 2.0, no activation with carbodiimide was required to anchor carboxymethylated amylose between an AFM tip and a glass substrate. At the same time, the mean bond rupture force f(r) dropped from 1.65 ± 0.37 nN at pH 7.4 to 1.39 ± 0.30 nN at pH 2.0 without carbodiimide, indicating that a different link to the surface can be formed at low pH. The coupling mechanism at pH 2.0 was elucidated by a series of experiments, in which the surface was functionalized with four different organosilanes, each containing characteristic functional groups. The results are rationalized with an acid-catalyzed ester condensation between a carboxyl group and a free, unreacted silanol group in the surface anchor or on the surface.

  17. Counting surface-kernel epimorphisms from a co-compact Fuchsian group to a cyclic group with motivations from string theory and QFT

    Energy Technology Data Exchange (ETDEWEB)

    Bibak, Khodakhast, E-mail: kbibak@uvic.ca; Kapron, Bruce M., E-mail: bmkapron@uvic.ca; Srinivasan, Venkatesh, E-mail: srinivas@uvic.ca

    2016-09-15

    Graphs embedded into surfaces have many important applications, in particular, in combinatorics, geometry, and physics. For example, ribbon graphs and their counting is of great interest in string theory and quantum field theory (QFT). Recently, Koch et al. (2013) gave a refined formula for counting ribbon graphs and discussed its applications to several physics problems. An important factor in this formula is the number of surface-kernel epimorphisms from a co-compact Fuchsian group to a cyclic group. The aim of this paper is to give an explicit and practical formula for the number of such epimorphisms. As a consequence, we obtain an ‘equivalent’ form of Harvey's famous theorem on the cyclic groups of automorphisms of compact Riemann surfaces. Our main tool is an explicit formula for the number of solutions of restricted linear congruence recently proved by Bibak et al. using properties of Ramanujan sums and of the finite Fourier transform of arithmetic functions.

  18. Counting surface-kernel epimorphisms from a co-compact Fuchsian group to a cyclic group with motivations from string theory and QFT

    Science.gov (United States)

    Bibak, Khodakhast; Kapron, Bruce M.; Srinivasan, Venkatesh

    2016-09-01

    Graphs embedded into surfaces have many important applications, in particular, in combinatorics, geometry, and physics. For example, ribbon graphs and their counting is of great interest in string theory and quantum field theory (QFT). Recently, Koch et al. (2013) [12] gave a refined formula for counting ribbon graphs and discussed its applications to several physics problems. An important factor in this formula is the number of surface-kernel epimorphisms from a co-compact Fuchsian group to a cyclic group. The aim of this paper is to give an explicit and practical formula for the number of such epimorphisms. As a consequence, we obtain an 'equivalent' form of Harvey's famous theorem on the cyclic groups of automorphisms of compact Riemann surfaces. Our main tool is an explicit formula for the number of solutions of restricted linear congruence recently proved by Bibak et al. using properties of Ramanujan sums and of the finite Fourier transform of arithmetic functions.

  19. Counting surface-kernel epimorphisms from a co-compact Fuchsian group to a cyclic group with motivations from string theory and QFT

    Directory of Open Access Journals (Sweden)

    Khodakhast Bibak

    2016-09-01

    Full Text Available Graphs embedded into surfaces have many important applications, in particular, in combinatorics, geometry, and physics. For example, ribbon graphs and their counting is of great interest in string theory and quantum field theory (QFT. Recently, Koch et al. (2013 [12] gave a refined formula for counting ribbon graphs and discussed its applications to several physics problems. An important factor in this formula is the number of surface-kernel epimorphisms from a co-compact Fuchsian group to a cyclic group. The aim of this paper is to give an explicit and practical formula for the number of such epimorphisms. As a consequence, we obtain an ‘equivalent’ form of Harvey's famous theorem on the cyclic groups of automorphisms of compact Riemann surfaces. Our main tool is an explicit formula for the number of solutions of restricted linear congruence recently proved by Bibak et al. using properties of Ramanujan sums and of the finite Fourier transform of arithmetic functions.

  20. Group interpretation of the spectral parameter. The case of isothermic surfaces

    Science.gov (United States)

    Cieśliński, Jan L.; Kobus, Artur

    2017-03-01

    It is well known that in some cases the spectral parameter has a group interpretation. We discuss in detail the case of Gauss-Codazzi equations for isothermic surfaces immersed in E3. The algebra of Lie point symmetries is 4-dimensional and all these symmetries are also symmetries of the Gauss-Weingarten equations (which can be considered as so(3) -valued non-parametric linear problem). In order to obtain a non-removable spectral parameter one has to consider so(4 , 1) -valued linear problem which has a 3-dimensional algebra of Lie point symmetries. The missing symmetry introduces a non-removable parameter. In the second part of the paper we extend these results on the case of isothermic immersions in arbitrary multidimensional Euclidean spaces. In order to simplify calculations the problem was formulated in terms of a Clifford algebra.

  1. Modeling of the rotavirus group C capsid predicts a surface topology distinct from other rotavirus species.

    Science.gov (United States)

    Eren, Elif; Zamuda, Kimberly; Patton, John T

    2016-01-01

    Rotavirus C (RVC) causes sporadic gastroenteritis in adults and is an established enteric pathogen of swine. Because RVC strains grow poorly in cell culture, which hinders generation of virion-derived RVC triple-layered-particle (TLP) structures, we used the known Rotavirus A (RVA) capsid structure to model the human RVC (Bristol) capsid. Comparative analysis of RVA and RVC capsid proteins showed major differences at the VP7 layer, an important target region for vaccine development due to its antigenic properties. Our model predicted the presence of a surface extended loop in RVC, which could form a major antigenic site on the capsid. We analyzed variations in the glycosylation patterns among RV capsids and identified group specific conserved sites. In addition, our results showed a smaller RVC VP4 foot, which protrudes toward the intermediate VP6 layer, in comparison to that of RVA. Finally, our results showed major structural differences at the VP8* glycan recognition sites.

  2. Stellar systems in the direction of the Hickson Compact Group 44. I. Low surface brightness galaxies

    Science.gov (United States)

    Smith Castelli, A. V.; Faifer, F. R.; Escudero, C. G.

    2016-11-01

    Context. In spite of the numerous studies of low-luminosity galaxies in different environments, there is still no consensus about their formation scenario. In particular, a large number of galaxies displaying extremely low-surface brightnesses have been detected in the last year, and the nature of these objects is under discussion. Aims: In this paper we report the detection of two extended low-surface brightness (LSB) objects (μeffg' ≃ 27 mag) found, in projection, next to NGC 3193 and in the zone of the Hickson Compact Group (HCG) 44, respectively. Methods: We analyzed deep, high-quality, GEMINI-GMOS images with ELLIPSE within IRAF in order to obtain their brightness profiles and structural parameters. We also searched for the presence of globular clusters (GC) in these fields. Results: We have found that, if these LSB galaxies were at the distances of NGC 3193 and HCG 44, they would show sizes and luminosities similar to those of the ultra-diffuse galaxies (UDGs) found in the Coma cluster and other associations. In that case, their sizes would be rather larger than those displayed by the Local Group dwarf spheroidal (dSph) galaxies. We have detected a few unresolved sources in the sky zone occupied by these galaxies showing colors and brightnesses typical of blue globular clusters. Conclusions: From the comparison of the properties of the galaxies presented in this work with those of similar objects reported in the literature, we have found that LSB galaxies display sizes covering a quite extended continous range (reff 0.3-4.5 kpc), in contrast to "normal" early-type galaxies, which show reff 1.0 kpc with a low dispersion. This fact might point to different formation processes for both types of galaxies.

  3. Robotic Technology Development at Ames: The Intelligent Robotics Group and Surface Telerobotics

    Science.gov (United States)

    Bualat, Maria; Fong, Terrence

    2013-01-01

    Future human missions to the Moon, Mars, and other destinations offer many new opportunities for exploration. But, astronaut time will always be limited and some work will not be feasible for humans to do manually. Robots, however, can complement human explorers, performing work autonomously or under remote supervision from Earth. Since 2004, the Intelligent Robotics Group has been working to make human-robot interaction efficient and effective for space exploration. A central focus of our research has been to develop and field test robots that benefit human exploration. Our approach is inspired by lessons learned from the Mars Exploration Rovers, as well as human spaceflight programs, including Apollo, the Space Shuttle, and the International Space Station. We conduct applied research in computer vision, geospatial data systems, human-robot interaction, planetary mapping and robot software. In planning for future exploration missions, architecture and study teams have made numerous assumptions about how crew can be telepresent on a planetary surface by remotely operating surface robots from space (i.e. from a flight vehicle or deep space habitat). These assumptions include estimates of technology maturity, existing technology gaps, and likely operational and functional risks. These assumptions, however, are not grounded by actual experimental data. Moreover, no crew-controlled surface telerobotic system has yet been fully tested, or rigorously validated, through flight testing. During Summer 2013, we conducted a series of tests to examine how astronauts in the International Space Station (ISS) can remotely operate a planetary rover across short time delays. The tests simulated portions of a proposed human-robotic Lunar Waypoint mission, in which astronauts in lunar orbit remotely operate a planetary rover on the lunar Farside to deploy a radio telescope array. We used these tests to obtain baseline-engineering data.

  4. Phonon transport in silicon nanowires: The reduced group velocity and surface-roughness scattering

    Science.gov (United States)

    Zhu, Liyan; Li, Baowen; Li, Wu

    2016-09-01

    Using a linear-scaling Kubo simulation approach, we have quantitatively investigated the effects of confinement and surface roughness on phonon transport in silicon nanowires (SiNWs) as thick as 55 nm in diameter R . The confinement effect leads to significant reduction of phonon group velocity v in SiNWs compared to bulk silicon except at extremely low phonon frequencies f , which very likely persists in SiNWs several hundreds of nanometers thick, suggesting the inapplicability of bulk properties, including anharmonic phonon scattering, to SiNWs. For instance, the velocity can be reduced by more than 30% for phonons with f >4.5 THz in 55-nm-thick nanowires. In rough SiNWs Casimir's limit, which is valid in confined macroscopic systems, can underestimate the surface scattering by more than one order of magnitude. For a roughness profile with Lorentzian correlation characterized by root-mean-square roughness σ and correlation length Lr, the frequency-dependent phonon diffusivity D follows power-law dependences D ∝Rασ-βLrγ , where α ˜2 and β ˜1 . On average, γ increases from 0 to 0.5 as R /σ increases. The mean free path and the phonon lifetime essentially follow the same power-law dependences. These dependences are in striking contrast to Casimir's limit, i.e., D ˜v R /3 , and manifest the dominant role of the change in the number of atoms due to roughness. The thermal conductivity κ can vary by one order of magnitude with varying σ and Lr in SiNWs, and increasing σ and shortening Lr can efficiently lower κ below Casimir's limit by one order of magnitude. Our work provides different insights to understand the ultralow thermal conductivity of SiNWs reported experimentally and guidance to manipulate κ via surface roughness engineering.

  5. Stellar Systems in the direction of the Hickson Compact Group 44 - I. Low Surface Brightness Galaxies

    CERN Document Server

    Castelli, A V Smith; Escudero, C G

    2016-01-01

    Context. In spite of the numerous studies of low-luminosity galaxies in different environments, there is still no consensus about their formation scenario. In particular, a large number of galaxies displaying extremely low-surface brightnesses have been detected in the last year, and the nature of these objects is under discussion. Aims. In this paper we report the detection of two extended low-surface brightness (LSB) objects (mueff_g'~27 mag) found, in projection, next to NGC 3193 and in the zone of the Hickson Compact Group (HCG) 44, respectively. Methods. We analyzed deep, high-quality, GEMINI-GMOS images with ELLIPSE within IRAF in order to obtain their brightness profiles and structural parameters. We also search for the presence of globular clusters (GC) in these fields. Results. We have found that, if these LSB galaxies were at the distances of NGC 3193 and HCG 44, they would show sizes and luminosities similar to those of the ultra-diffuse galaxies (UDGs) found in the Coma cluster and other associati...

  6. Improvement of surface wetting properties of poly(p-phenylene benzoxazole) by incorporation of ionic groups

    Energy Technology Data Exchange (ETDEWEB)

    Luo Kaiqing [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 200051 (China); Jin Junhong [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 200051 (China); Yang Shenglin [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 200051 (China); Li Guang [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 200051 (China)]. E-mail: lig@dhu.edu.cn; Jiang Jianming [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 200051 (China)

    2006-07-25

    Modified poly(p-phenylene benzoxazole), SPBO, containing ionic sulfonate groups was synthesized by polycondensation of the corresponding monomers in polyphosphoric acid. SPBO fiber was spun via a dry-jet wet-spinning technique. The wetting property of poly(p-phenylene benzoxazole) (PBO) fiber and SPBO fiber were measured by contact angle analysis, and the interfacial shear strength (IFSS) between fibers and epoxy was determined by microbond pull-out testing. The contact angles of water and ethanol on SPBO fiber surface get smaller, and the wetting process becomes faster. The surface free energy of SPBO fiber increases to 38.9 mJ m{sup -2}, which is 9.6% higher than that of PBO fiber. Furthermore the ionic introducing leads to a 23% increase in IFSS from 8.2 MPa for PBO/epoxy to 10.1 MPa for SPBO/epoxy. It could be expected that the failure mode may change from fiber/matrix interface adhesive failure to partly cohesive failure mode.

  7. Effect of heat on the adsorption properties of silica gel

    OpenAIRE

    Christy, Alfred A.

    2012-01-01

    Adsorption properties of silica gel have been attributed to the surface hydroxyl groups of silica gel. Some hydroxyl groups are free standing and called free silanol groups. Some are hydrogen bonded to neighbouring silanol groups. Christy has shown that a high silanol number and a balanced concentration proportionality between these two different types of hydroxyl groups is necessary for effective adsorption of water molecules. Thermal treatment of silica gel samples alters the proportions...

  8. Prevalence of ocular surface disease symptoms and risk factors in group of university students in Monterrey, Mexico

    OpenAIRE

    2016-01-01

    Background The objective of this study was to determine the prevalence of symptoms of ocular surface disease and its relationship with associated risk factors in students from the University of Monterrey using Ocular Surface Disease (OSDI) questionnaire. Methods A cross-sectional survey was conducted between October and December 2014 to assess the prevalence and risk factors for ocular surface disease in a group of students from Universidad de Monterrey in Monterrey, Mexico. The severity of t...

  9. Holomorphic representation of constant mean curvature surfaces in Minkowski space: Consequences of non-compactness in loop group methods

    DEFF Research Database (Denmark)

    Brander, David; Rossman, Wayne; Schmitt, Nicholas

    2010-01-01

    We give an infinite dimensional generalized Weierstrass representation for spacelike constant mean curvature (CMC) surfaces in Minkowski 3-space $\\R^{2,1}$. The formulation is analogous to that given by Dorfmeister, Pedit and Wu for CMC surfaces in Euclidean space, replacing the group $SU_2$ with...

  10. Introduction of sulfate groups on poly(ethylene) surfaces by argon plasma immobilization of sodium alkyl sulfates

    NARCIS (Netherlands)

    Lens, J.P.; Terlingen, J.G.A.; Engbers, G.H.M.; Feijen, J.

    1998-01-01

    Sulfate groups were introduced at the surface of poly(ethylene) (PE) samples. This was accomplished by immobilizing a precoated layer of either sodium 10-undecene sulfate (S11(:)) or sodium dodecane sulfate (SDS) on the polymeric surface by means of an argon plasma treatment. For this purpose, S11(:

  11. In situ synchrotron IR study relating temperature and heating rate to surface functional group changes in biomass.

    Science.gov (United States)

    Kirtania, Kawnish; Tanner, Joanne; Kabir, Kazi Bayzid; Rajendran, Sharmen; Bhattacharya, Sankar

    2014-01-01

    Three types of woody biomass were investigated under pyrolysis condition to observe the change in the surface functional groups by Fourier transform infrared (FTIR) technique with increasing temperature under two different (5 and 150°C/min) heating rates. The experiments were carried out in situ in the infrared microscopy beamline (IRM) of the Australian Synchrotron. The capability of the beamline made it possible to focus on single particles to obtain low noise measurements without mixing with KBr. At lower heating rate, the surface functional groups were completely removed by 550°C. In case of higher heating rate, a delay was observed in losing the functional groups. Even at a high temperature, significant number of functional groups was retained after the higher heating rate experiments. This implies that at considerably high heating rates typical of industrial reactors, more functional groups will remain on the surface.

  12. The Group for High Resolution Sea Surface Temperature: Past, Present and Future.

    Science.gov (United States)

    Donlon, Craig; Casey, Kenneth; Minnett, Peter; Corlett, Gary

    2014-05-01

    In the last decade, satellite Agencies, science, operational user/producer and Sea Surface Temperature practitioner communities have come together within the Group for High Resolution SST (GHRSST) to create a new framework for generation, delivery and application of improved common format high-resolution (~1-10 km) satellite SST datasets for the benefit of society. The GHRSST data system is a mature, robust, and highly reliable near real time and delayed mode data system known as the GHRSST Regional/Global Task Sharing framework (R/GTS) and has operated in NRT since 2006. It consists of distributed Regional Data Assembly Centers (RDACs) around the world that submit their data to a Global Data Assembly Center (GDAC) maintained at the NASA Jet Propulsion Laboratory Physical Oceanography Distributed Active Archive Center (JPL PO.DAAC), where all the data are available for 30 days. After that they are transferred to the GHRSST Long Term Stewardship and Reanalysis Facility (LTSRF) at the U.S. National Oceanographic Data Center (NODC) for long-term preservation and distribution. The extensive user base includes many operational meteorological services, the scientific community, industry and Government. Since the R/GTS has operated, statistics show over 72,000 users have accessed the R/GTS in NRT, accessing over 100 million files amounting to more than 232 Tb of information. GHRSST has an organisation structure that has both fixed and flexible components allowing it to respond effectively and efficiently to new and emerging challenges. GHRSST has often been cited as a model for other Virtual Communities/Constellations. GHRSST is underpinned by an international Science Team and International Project Office together. Long-standing GHRSST Technical Advisory Groups (TAG) and ad hoc Working Groups (WG) are typically at the "cutting edge" of international SST activities delivering real coordination in space-based Earth observations for societal benefit through the prioritized

  13. The surface modification of TiN nano-particles using macromolecular coupling agents, and their resulting dispersibility

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Guojun, E-mail: chengguojun0436@126.com [School of Chemistry and Chemical Engineering, Anhui University, Hefei 230039 (China); School of Materials Science and Engineering, Anhui University of Science and Technology, Huainan 232001 (China); Qian, Jiasheng, E-mail: qianjs@ahu.edu.cn [School of Chemistry and Chemical Engineering, Anhui University, Hefei 230039 (China); Miao, Jibin; Yang, Bin; Xia, Ru; Chen, Peng [School of Chemistry and Chemical Engineering, Anhui University, Hefei 230039 (China)

    2014-05-01

    Graphical abstract: The hydroxyl groups on the surface of nano-TiN particles interacted with the silanol groups [-Si-OCH{sub 3}] of a F-MCA to form an organic coating layer that hindered the aggregation of the nano-TiN. The obvious agglomeration and homogeneous dispersion can be seen in TEM images. - Highlights: • The dispersible TiN nano-particles were prepared to increase its surface activity. • Surface hydrophobicity increased due to being modified by F-MCA. • TiN nano-particles modified with F-MCA shows good dispersion in anhydrous ethanol. • The coupling agents are tightly absorbed on the surface of particles by chemisorption. • Modified TiN nano-particles can be widely used in polymers with great compatibility. - Abstract: Titanium nitride (TiN) nano-particles were modified by the grafting of a random copolymerization functionalized macromolecular coupling agent (F-MCA) via a direct blending method. The hydroxyl groups on the surface of the nano-TiN particles interact with the silanol groups [-Si-OCH{sub 3}] of the F-MCA to form an organic coating layer. The formation of covalent bonds [Ti-O-Si] was verified using Fourier transform infrared spectroscopy. An X-ray diffraction analysis suggests that the presence of the F-MCA inhibited the growth of the crystal plane but did not change the crystal structure of the TiN. Thermogravimetric analysis and contact angle measurement indicated that the F-MCA molecules were adsorbed or anchored to the surface of the nano-TiN particles, which hindered their aggregation. Pristine nano-TiN particles are poorly dispersed in ethyl acetate. Compared with the pristine TiN particles, the modified TiN particles show good dispersibility and form a stable colloidal dispersion in ethyl acetate. The surface hydrophobicity of the modified TiN increases, and the F-MCA molecules are anchored on the surface of the TiN particles. TiN particles modified by a F-MCA can be used in polymer blends, thermoplastic elastomers and polymer

  14. Bio-polymer coatings on neural probe surfaces: Influence of the initial sample composition

    Energy Technology Data Exchange (ETDEWEB)

    Chow, Winnie W.Y. [Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala (Sweden); Herwik, Stanislav; Ruther, Patrick [Department of Microsystems Engineering (IMTEK), University of Freiburg (Germany); Goethelid, Emmanuelle [Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala (Sweden); Oscarsson, Sven, E-mail: sven@svenoscarsson.com [Department of Organic Chemistry, Stockholm University, Arrhenius Laboratory, SE-106 91 Stockholm (Sweden)

    2012-08-01

    This paper presents the results of the study of hyaluronic acid (HyA) coating on two structural materials, silicon oxide (dielectric) surface and platinum (Pt) surface used for fabrication of probes developed for neurological investigations in the framework of the EU-project NeuroProbes. The silicon-based neural probes consist of multiple Pt electrodes on the probe shafts for neural recording applications. HyA coatings were proposed to apply on the probe surfaces to enhance the biocompatibility. This study aims at understanding the influence of the initial composition of the probe surface on the structure and morphology of HyA coating. HyA was chemically functionalized by SS-pyridin using (N-Succinimidyl 3-[2-pyridyldithio]-propionate) (SPDP) and was immobilized on the surfaces via a covalent bond. The dielectric and Pt surfaces were derivatized by use of (3-mercaptopropyl) methyldimethoxysilane (MPMDMS). The silanol groups in MPMDMS bind to the dielectric surface, leaving the thiol groups at the uppermost surface and the thiol groups then bind covalently to the functionalized HyA. On the Pt surface, it is the thiol group which binds on the Pt surface. The coated surfaces were characterized by X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). A well-defined HyA layer was observed on both dielectric and Pt surfaces. The coating of two molecular weights (340 kDa and 1.3 MDa) of HyA was examined. The influence of the silanized layer on the HyA coating was also investigated.

  15. Classification of Fundamental Groups of Galois Covers of Surfaces of Small Degree Degenerating to Nice Plane Arrangements

    CERN Document Server

    Amram, Meirav; Shwartz, Robert; Teicher, Mina

    2010-01-01

    Let $X$ be a surface of degree $n$, projected onto $\\mathbb{CP}^2$. The surface has a natural Galois cover with Galois group $S_n.$ It is possible to determine the fundamental group of a Galois cover from that of the complement of the branch curve of $X.$ In this paper we survey the fundamental groups of Galois covers of all surfaces of small degree $n \\leq 4$, that degenerate to a nice plane arrangement, namely a union of $n$ planes such that no three planes meet in a line. We include the already classical examples of the quadric, the Hirzebruch and the Veronese surfaces and the degree $4$ embedding of $\\mathbb{CP}^1 \\times \\mathbb{CP}^1,$ and also add new computations for the remaining cases: the cubic embedding of the Hirzebruch surface $F_1$, the Cayley cubic (or a smooth surface in the same family), for a quartic surface that degenerates to the union of a triple point and a plane not through the triple point, and for a quartic $4$-point. In an appendix, we also include the degree $8$ surface $\\mathbb{CP}...

  16. First principles investigations on the electronic structure of anchor groups on ZnO nanowires and surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dominguez, A.; Lorke, M.; Rosa, A. L.; Frauenheim, Th. [BCCMS, Universität Bremen, Am Fallturm 1, 28359 Bremen (Germany); Schoenhalz, A. L.; Dalpian, G. M. [CCNH, Universidade Federal do ABC, Av. dos Estados 5001, Santo André (Brazil); Rocha, A. R. [IFT, Universidade Estadual Paulista, R. Dr. Bento Teobaldo Ferraz, 271, São Paulo (Brazil)

    2014-05-28

    We report on density functional theory investigations of the electronic properties of monofunctional ligands adsorbed on ZnO-(1010) surfaces and ZnO nanowires using semi-local and hybrid exchange-correlation functionals. We consider three anchor groups, namely thiol, amino, and carboxyl groups. Our results indicate that neither the carboxyl nor the amino group modify the transport and conductivity properties of ZnO. In contrast, the modification of the ZnO surface and nanostructure with thiol leads to insertion of molecular states in the band gap, thus suggesting that functionalization with this moiety may customize the optical properties of ZnO nanomaterials.

  17. Adsorption of charged and neutral polymer chains on silica surfaces: The role of electrostatics, volume exclusion, and hydrogen bonding

    Science.gov (United States)

    Spruijt, Evan; Biesheuvel, P. M.; de Vos, Wiebe M.

    2015-01-01

    We develop an off-lattice (continuum) model to describe the adsorption of neutral polymer chains and polyelectrolytes to surfaces. Our continuum description allows taking excluded volume interactions between polymer chains and ions directly into account. To implement those interactions, we use a modified hard-sphere equation of state, adapted for mixtures of connected beads. Our model is applicable to neutral, charged, and ionizable surfaces and polymer chains alike and accounts for polarizability effects of the adsorbed layer and chemical interactions between polymer chains and the surface. We compare our model predictions to data of a classical system for polymer adsorption: neutral poly(N -vinylpyrrolidone) (PVP) on silica surfaces. The model shows that PVP adsorption on silica is driven by surface hydrogen bonding with an effective maximum binding energy of about 1.3 kBT per PVP segment at low p H . As the p H increases, the Si-OH groups become increasingly dissociated, leading to a lower capacity for H bonding and simultaneous counterion accumulation and volume exclusion close to the surface. Together these effects result in a characteristic adsorption isotherm, with the adsorbed amount dropping sharply at a critical p H . Using this model for adsorption data on silica surfaces cleaned by either a piranha solution or an O2 plasma, we find that the former have a significantly higher density of silanol groups.

  18. Registration of cortical surfaces using sulcal landmarks for group analysis of MEG data.

    Science.gov (United States)

    Joshi, Anand A; Shattuck, David W; Thompson, Paul M; Leahy, Richard M

    2007-06-01

    We present a method to register individual cortical surfaces to a surface-based brain atlas or canonical template using labeled sulcal curves as landmark constraints. To map one cortex smoothly onto another, we minimize a thin-plate spline energy defined on the surface by solving the associated partial differential equations (PDEs). By using covariant derivatives in solving these PDEs, we compute the bending energy with respect to the intrinsic geometry of the 3D surface rather than evaluating it in the flattened metric of the 2D parameter space. This covariant approach greatly reduces the confounding effects of the surface parameterization on the resulting registration.

  19. Photoluminescent silicon nanocrystals with chlorosilane surfaces - synthesis and reactivity

    Science.gov (United States)

    Höhlein, Ignaz M. D.; Kehrle, Julian; Purkait, Tapas K.; Veinot, Jonathan G. C.; Rieger, Bernhard

    2014-12-01

    We present a new efficient two-step method to covalently functionalize hydride terminated silicon nanocrystals with nucleophiles. First a reactive chlorosilane layer was formed via diazonium salt initiated hydrosilylation of chlorodimethyl(vinyl)silane which was then reacted with alcohols, silanols and organolithium reagents. With organolithium compounds a side reaction is observed in which a direct functionalization of the silicon surface takes place.We present a new efficient two-step method to covalently functionalize hydride terminated silicon nanocrystals with nucleophiles. First a reactive chlorosilane layer was formed via diazonium salt initiated hydrosilylation of chlorodimethyl(vinyl)silane which was then reacted with alcohols, silanols and organolithium reagents. With organolithium compounds a side reaction is observed in which a direct functionalization of the silicon surface takes place. Electronic supplementary information (ESI) available: Detailed experimental procedures and additional NMR, PL, EDX, DLS and TEM data. See DOI: 10.1039/C4NR05888G

  20. Synthesis and biological evaluation of largazole analogues with modified surface recognition cap groups.

    Science.gov (United States)

    Bhansali, Pravin; Hanigan, Christin L; Perera, Lalith; Casero, Robert A; Tillekeratne, L M Viranga

    2014-10-30

    Several largazole analogues with modified surface recognition cap groups were synthesized and their HDAC inhibitory activities were determined. The C7-epimer 12 caused negligible inhibition of HDAC activity, failed to induce global histone 3 (H3) acetylation in the HCT116 colorectal cancer cell line and demonstrated minimal effect on growth. Although previous studies have shown some degree of tolerance of structural changes at C7 position of largazole, these data show the negative effect of conformational change accompanying change of configuration at this position. Similarly, analogue 16a with D-1-naphthylmethyl side chain at C2 too had negligible inhibition of HDAC activity, failed to induce global histone 3 (H3) acetylation in the HCT116 colorectal cancer cell line and demonstrated minimal effect on growth. In contrast, the L-allyl analogue 16b and the L-1-naphthylmethyl analogue 16c were potent HDAC inhibitors, showing robust induction of global H3 acetylation and significant effect on cell growth. The data suggest that even bulky substituents are tolerated at this position, provided the stereochemistry at C2 is retained. With bulky substituents, inversion of configuration at C2 results in loss of inhibitory activity. The activity profiles of 16b and 16c on Class I HDAC1 vs Class II HDAC6 are similar to those of largazole and, taken together with x-ray crystallography information of HDAC8-largazole complex, may suggest that the C2 position of largazole is not a suitable target for structural optimization to achieve isoform selectivity. The results of these studies may guide the synthesis of more potent and selective HDAC inhibitors.

  1. Photoluminescence effects of graphitic core size and surface functional groups in carbon dots: COO− induced red-shift emission

    KAUST Repository

    Hola, Katerina

    2014-04-01

    We present a simple molecular approach to control the lipophilic/ hydrophilic nature of photoluminescent carbon dots (CDs) based on pyrolysis of alkyl gallate precursors. Depending on the gallic acid derivative used, CDs with different alkyl groups (methyl, propyl, lauryl) on the surface can be obtained by isothermal heating at 270 C. This precursor-derived approach allows not only the control of lipophilicity but also the length of the particular alkyl chain enables the control over both the size and photoluminescence (PL) of the prepared CDs. Moreover, the alkyl chains on the CDs surface can be readily converted to carboxylate groups via a mild base hydrolysis to obtain water dispersible CDs with a record biocompatibility. The observed differences in PL properties of CDs and time-resolved PL data, including contributions from carbogenic cores and surface functional group, are rationalized and discussed in detail using time-dependent density functional theory (TD-DFT) calculations. © 2013 Elsevier Ltd. All rights reserved.

  2. Structural phase diagrams for the surface of a solid - A total-energy, renormalization-group approach

    Science.gov (United States)

    Ihm, J.; Lee, D. H.; Joannopoulos, J. D.; Xiong, J. J.

    1983-11-01

    Total-energy calculations based on microscopic electronic structure are combined with position-space renormalization-group calculations to predict the structural phase transitions of the Si(100) surface as a function of temperature. It is found that two distinct families of reconstructed geometries can exist on the surface, with independent phase transitions occurring within each. Two critical temperatures representing order-disorder transitions are calculated.

  3. Effect of interfacial hydrogen b onds on the structure and dynamics of confined water%界面氢键对受限水结构和动态特性的影响∗

    Institute of Scientific and Technical Information of China (English)

    王明; 段芳莉

    2015-01-01

    Reactive molecular dynamics (MD) is used to simulate the equilibrium process of water confined between two fully hydroxylatedα-quartz (001) surfaces with separation distances from 7 to 20 Å. Effect of different patterns of interfacial hydrogen bonds on the structure and dynamics of confined water is investigated. Density profiles, radial distribution functions, number of interfacial hydrogen bonds, and mean square displacements are calculated. The α-quartz (001) surface is cut from an α-quartz crystal at a certain depth to construct a surface with geminal silanols after being fully hydroxylated. The silanol groups on the surface are treated in two different ways in the MD simulations. One of the silanol groups are treated as to be fixed, and the other one is treated as no constraint for the movement of surface silanols. Our results show that different patterns of hydrogen bonds are formed at the interface between SiO2 surface and water. For the fixed silanol surface there is one type of strong hydrogen bonds interacting between the oxygen atoms of water and the hydrogen atoms of surface silanols, leading to the dipole moment of water molecules pointing out from the surface. For the movable silanol surface there are two types of strong hydrogen bonds formed at the interface. One is between the oxygen atoms of water and the hydrogen atoms of surface silanols, and the other is between the oxygen atoms of surface silanols and the hydrogen atoms of water. The number of hydrogen bonds of the first type is much less than those of the second type, leading to the dipole moment of water molecules pointing to the surface. Moreover, the total number of interfacial hydrogen bonds formed on the fixed silanol surfaces is larger than that on the movable silanol surfaces. The density profiles of the confined water indicate the formation of a strong layering of water in the vicinity of the fixed silanol surface, and the water layer is also more ordered with an ice-like structure

  4. Aqueous or solvent based surface modification: The influence of the combination solvent - organic functional group on the surface characteristics of titanium dioxide grafted with organophosphonic acids

    Science.gov (United States)

    Roevens, Annelore; Van Dijck, Jeroen G.; Geldof, Davy; Blockhuys, Frank; Prelot, Benedicte; Zajac, Jerzy; Meynen, Vera

    2017-09-01

    To alter the versatility of interactions at its surface, TiO2 is modified with organophosphonic acids (PA). A thorough understanding of the role of all synthesis conditions is necessary to achieve controlled functionalization. This study reports on the effect of using water, toluene and their mixtures when performing the modification of TiO2 with PA. Sorption and calorimetry measurements of surface interactions with various probing species clearly indicate that, by grafting PA in water, clear differences appear in the distribution of organic groups on the surface. Also the functional group of the PA determines the impact of using water as solvent. Modification in toluene results in a higher modification degree for propylphosphonic acid (3PA), as the solvent-solute interaction may hinder the grafting with phenylphosphonic acid (PhPA) in toluene. Water is preferred as solvent for PhPA modification as stabilizing π-OH interactions enhance surface grafting overcoming the competitive interaction of water at the surface as observed with 3PA. By using water in toluene mixtures for the functionalization of TiO2 with 3PA, the degree of functionalization is higher than when only water or toluene is used. Furthermore, adding small amounts of water leads to the formation of titanium propylphosphonates, next to surface grafting.

  5. Assessing the temporal stability of surface functional groups introduced by plasma treatments on the outer shells of carbon nanotubes

    Science.gov (United States)

    Merenda, Andrea; Ligneris, Elise Des; Sears, Kallista; Chaffraix, Thomas; Magniez, Kevin; Cornu, David; Schütz, Jürg A.; Dumée, Ludovic F.

    2016-08-01

    Plasma treatments are emerging as superior efficiency treatment for high surface to volume ratio materials to tune functional group densities and alter crystallinity due to their ability to interact with matter at the nanoscale. The purpose of this study is to assess for the first time the long term stability of surface functional groups introduced across the surface of carbon nanotube materials for a series of oxidative, reductive and neutral plasma treatment conditions. Both plasma duration dose matrix based exposures and time decay experiments, whereby the surface energy of the materials was evaluated periodically over a one-month period, were carried out. Although only few morphological changes across the graphitic planes of the carbon nanotubes were found under the uniform plasma treatment conditions, the time dependence of pertinent work functions, supported by Raman analysis, suggested that the density of polar groups decreased non-linearly over time prior to reaching saturation from 7 days post treatment. This work provides critical considerations on the understanding of the stability of functional groups introduced across high specific surface area nano-materials used for the design of nano-composites, adsorptive or separation systems, or sensing materials and where interfacial interactions are key to the final materials performance.

  6. Platinum-group elements. Quantification in collected exhaust fumes and studies of catalyst surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Palacios, M.A.; Gomez, M.M.; Moldovan, M. [Departamento de Quimica Analitica, Facultad de CC Quimicas, Universidad Complutense de Madrid, 28040- Madrid (Spain); Morrison, G.; Rauch, S. [Chalmers University of Technology, Gothenburg (Sweden); McLeod, C.; Ma, R. [University of Sheffield, Sheffield (United Kingdom); Laserna, J.; Lucena, P. [University of Malaga, Malaga (Spain); Caroli, S.; Alimonti, A.; Petrucci, F.; Bocca, B. [Istituto Superiore di Sanita, Rome (Italy); Schramel, P.; Lustig, S.; Zischka, M. [GSF-Forschung, Neuherberg (Germany); Wass, U.; Stenbom, B. [Volvo, Gothenberg (Sweden); Luna, M. [Ford, Madrid (Spain); Saenz, J.C. [Instituto Nacional de Tecnica Aeroespacial, INTA, Madrid (Spain); Santamaria, J.; Torrens, J.M. [Seat, Barcelona (Spain)

    2000-07-20

    Automotive catalytic converters, in which Pt, Pd and Rh (platinum-group elements; PGEs) are the active components for eliminating several noxious components from exhaust fumes, have become the main source of environmental urban pollution by PGEs. This work reports on the catalyst morphology through changes in catalyst surface by scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/EDX) and laser-induced breakdown spectrometry (LIBS) from fresh to aged catalytic converters. The distribution of these elements in the fresh catalysts analysed (Pt-Pd-Rh gasoline catalyst) is not uniform and occurs mainly in a longitudinal direction. This heterogeneity seems to be greater for Pt and Pd. PGEs released by the catalysts, fresh and aged 30000 km, were studied in parallel. Whole raw exhaust fumes from four catalysts of three different types were also examined. Two of these were gasoline catalysts (Pt-Pd-Rh and Pd-Rh) and the other two were diesel catalysts (Pt). Samples were collected following the 91441 EUDC driving cycle for light-duty vehicle testing. The results show that at 0 km the samples collected first have the highest content of particulate PGEs and although the general tendency is for the release to decrease with increasing number of samples taken, exceptions are frequent. At 30000 km the released PGEs in gasoline and diesel catalysts decreased significantly. For fresh gasoline catalysts the mean of the total amount released was approximately 100, 250 and 50 ng km{sup -1} for Pt, Pd and Rh, respectively. In diesel catalysts the Pt release varied in the range 400-800 ng km{sup -1}. After ageing the catalysts up to 30000 km, the gasoline catalysts released amounts of Pt between 6 and 8 ng km{sup -1}, Pd between 12 and 16 ng km{sup -1} and Rh between 3 and 12 ng km{sup -1}. In diesel catalysts the Pt release varied in the range 108-150 ng km{sup -1}. The soluble portion of PGEs in the HNO{sub 3} collector solution represented less than 5% of the

  7. Stopping the growth of particles to silica-supported mono-nuclear Ru hydride surface species by tuning silica with surface silanes

    Energy Technology Data Exchange (ETDEWEB)

    Berthoud, Romain; Fenet, Bernard; Lukens, Wayne; Pelzer, Katrin; Basset, Jean-Marie; Candy, Jean-Pierre; Coperet, Christophe

    2007-07-11

    Tuning silica by replacing surface silanols with silanes allows chemical grafting of Ru(COD)(COT) through a covalent Ru-Si bond, as evidenced by elemental analysis, IR spectroscopy and EXAFS. Treatment of these surface species under H2 at 300 oC yields a mononuclear Ru hydride species, without any sintering of the metal according to TEM and EXAFS analyses. This supported system displays catalytic properties different from those of supported Ru particles (2 nm), selectively hydrogenating olefins over aromatics.

  8. Optimum design of amphiphilic polymers bearing hydrophobic groups for both cell surface ligand presentation and intercellular cross-linking.

    Science.gov (United States)

    Takeo, Masafumi; Li, Cuicui; Matsuda, Masayoshi; Nagai, Hiroko; Hatanaka, Wataru; Yamamoto, Tatsuhiro; Kishimura, Akihiro; Mori, Takeshi; Katayama, Yoshiki

    2015-01-01

    Amphiphilic polymers bearing hydrophobic alkyl groups are expected to be applicable for both ligand presentation on the cell surface and intercellular crosslinking. To explore the optimum design for each application, we synthesized eight different acyl-modified dextrans with varying molecular weight, alkyl length, and alkyl modification degree. We found that the behenate-modified polymers retained on the cell surface longer than the palmitate-modified ones. Since the polymers were also modified with biotin, streptavidin can be presented on the cell surface through biotin-streptavidin recognition. The duration of streptavidin on the cell surface is longer in the behenate-modified polymer than the palmitate-modified one. As for the intercellular crosslinking, the palmitate-modified polymers were more efficient than the behenate-modified polymers. The findings in this research will be helpful to design the acyl-modified polymers for the cell surface engineering.

  9. On the protonation of oxo- and hydroxo-groups of the goethite (α-FeOOH) surface: A FTIR spectroscopic investigation of surface O H stretching vibrations

    Science.gov (United States)

    Boily, Jean-François; Felmy, Andrew R.

    2008-07-01

    The O-H stretching region of goethite particles evaporated at different levels of acidity was investigated by Attenuated Total Reflectance (ATR)-Fourier Transform InfraRed (FTIR) spectroscopy. Two-dimensional IR Correlation Spectroscopy was used to identify correlations between different sets of discrete surface OH stretches and a Multivariate Curve Resolution analysis was used to resolve the predominant spectral components. Two dominant groups of hydroxyls were identified on the basis of their differences in proton affinity. Group I hydroxyls appear as two 3698/3541 and 3660/3490 cm -1 band pairs. Group II hydroxyls are manifested through the 3648 and 3578 cm -1 bands at greater levels of surface proton loading. There is consequently no correlation between O-H stretching frequencies and proton affinity. Groups I and II were assigned to mostly singly- (-OH) and doubly- (μ-OH) coordinated hydroxyls, respectively. Stretches arising from triply-coordinated (μ 3-OH) are proposed to be embedded within the dominant O-H band of bulk goethite. The possibility that these sites contribute to Group I and II hydroxyls should, however, not be entirely dismissed without further investigations. A reexamination of Temperature Programmed Desorption (TPD)-FTIR data of one goethite sample evaporated from alkaline conditions [Boily J.-F., Szanyi J., Felmy A. R. (2006) A combined FTIR and TPD study on the bulk and surface dehydroxylation and decarbonation of synthetic goethite. Geochim. Cosmochim. Acta70, 3613-3624] provided further constraints to this band assignment by providing clues to the network of surface hydrogen bonds. Important cooperative effects between hydrogen-bonded surface hydroxyls are suggested to play a crucial role on the variations of the position and intensity of discrete O-H stretching bands as a function of protonation level and temperature.

  10. On the protonation of oxo- and hydroxo- groups of the goethite (α-FeOOH) surface: A FTIR spectroscopic investigation of surface O-H stretching vibrations.

    Energy Technology Data Exchange (ETDEWEB)

    Boily, Jean F; Felmy, Andrew R

    2008-06-01

    The O–H stretching region of goethite particles evaporated at different levels of acidity was investigated by Attenuated Total Reflectance (ATR)-Fourier Transform InfraRed (FTIR) spectroscopy. Two-dimensional IR Correlation Spectroscopy was used to identify correlations between different sets of discrete surface OH stretches and a Multivariate Curve Resolution analysis was used to resolve the predominant spectral components. Two dominant groups of hydroxyls were identified on the basis of their differences in proton affinity. Group I hydroxyls appear as two 3698/3541 and 3660/3490 cm-1 band pairs. Group II hydroxyls are manifested through the 3648 and 3578 cm-1 bands at greater levels of surface proton loading. There is consequently no correlation between O–H stretching frequencies and proton affinity. Groups I and II were assigned to mostly singly- (–OH) and doubly- (μ-OH) coordinated hydroxyls, respectively. Stretches arising from triply-coordinated (μ3-OH) are proposed to be embedded within the dominant O–H band of bulk goethite. The possibility that these sites contribute to Group I and II hydroxyls should, however, not be entirely dismissed without further investigations. A reexamination of Temperature Programmed Desorption (TPD)-FTIR data of one goethite sample evaporated from alkaline conditions [Boily J.-F., Szanyi J., Felmy A. R. (2006) A combined FTIR and TPD study on the bulk and surface dehydroxylation and decarbonation of synthetic goethite. Geochim. Cosmochim. Acta70, 3613–3624] provided further constraints to this band assignment by providing clues to the network of surface hydrogen bonds. Important cooperative effects between hydrogen-bonded surface hydroxyls are suggested to play a crucial role on the variations of the position and intensity of discrete O–H stretching bands as a function of protonation level and temperature.

  11. A Method for Absolute Determination of the Surface Areal Density of Functional Groups in Organic Thin Films

    Energy Technology Data Exchange (ETDEWEB)

    Min, Hyegeun; Son, Jin Gyeong; Kim, Jeong Won; Yu, Hyunung; Lee, Tae Geol; Moon, Dae Won [Korea Research Institute of Standards and Science, Daejeon (Korea, Republic of)

    2014-03-15

    To develop a methodology for absolute determination of the surface areal density of functional groups on organic and bio thin films, medium energy ion scattering (MEIS) spectroscopy was utilized to provide references for calibration of X-ray photoelectron spectroscopy (XPS) or Fourier transformation-infrared (FT-IR) intensities. By using the MEIS, XPS, and FT-IR techniques, we were able to analyze the organic thin film of a Ru dye compound (C{sub 58}H{sub 86}O{sub 8}N{sub 8}S{sub 2}Ru), which consists of one Ru atom and various stoichiometric functional groups. From the MEIS analysis, the absolute surface areal density of Ru atoms (or Ru dye molecules) was determined. The surface areal densities of stoichiometric functional groups in the Ru dye compound were used as references for the calibration of XPS and FT-IR intensities for each functional group. The complementary use of MEIS, XPS, and FT-IR to determine the absolute surface areal density of functional groups on organic and bio thin films will be useful for more reliable development of applications based on organic thin films in areas such as flexible displays, solar cells, organic sensors, biomaterials, and biochips.

  12. Analysis of group-velocity dispersion of high-frequency Rayleigh waves for near-surface applications

    Science.gov (United States)

    Luo, Y.; Xia, J.; Xu, Y.; Zeng, C.

    2011-01-01

    The Multichannel Analysis of Surface Waves (MASW) method is an efficient tool to obtain the vertical shear (S)-wave velocity profile using the dispersive characteristic of Rayleigh waves. Most MASW researchers mainly apply Rayleigh-wave phase-velocity dispersion for S-wave velocity estimation with a few exceptions applying Rayleigh-wave group-velocity dispersion. Herein, we first compare sensitivities of fundamental surface-wave phase velocities with group velocities with three four-layer models including a low-velocity layer or a high-velocity layer. Then synthetic data are simulated by a finite difference method. Images of group-velocity dispersive energy of the synthetic data are generated using the Multiple Filter Analysis (MFA) method. Finally we invert a high-frequency surface-wave group-velocity dispersion curve of a real-world example. Results demonstrate that (1) the sensitivities of group velocities are higher than those of phase velocities and usable frequency ranges are wider than that of phase velocities, which is very helpful in improving inversion stability because for a stable inversion system, small changes in phase velocities do not result in a large fluctuation in inverted S-wave velocities; (2) group-velocity dispersive energy can be measured using single-trace data if Rayleigh-wave fundamental-mode energy is dominant, which suggests that the number of shots required in data acquisition can be dramatically reduced and the horizontal resolution can be greatly improved using analysis of group-velocity dispersion; and (3) the suspension logging results of the real-world example demonstrate that inversion of group velocities generated by the MFA method can successfully estimate near-surface S-wave velocities. ?? 2011 Elsevier B.V.

  13. Matching a surface complexation model with ab initio molecular dynamics: montmorillonite case

    Energy Technology Data Exchange (ETDEWEB)

    Kulik, D.A.; Churakov, S.V. [Paul Scherrer Institute, Nuclear Energy and Safety Dpt., Lab. for Waste Management, CH-5232 Villigen PSI (Switzerland)

    2005-07-01

    Speciation modelling of sorption on mineral-water interfaces is performed with help of surface complexation models (SCM), suitable for diluted suspensions that seem to reach adsorption equilibrium within laboratory times. Electrostatic SCMs need several input parameters even for a relatively simple oxide mineral surface. Moreover, the electrolyte ion adsorption constants in triple layer (TL) or basic Stern (BS) models depend on the inner layer capacitance density Cl, but clear physical understanding of this parameter is missing so far. SCMs can fit acidimetric or metal titration data well at quite different combinations of input parameters, and this fact casts doubt on any interpretation of fitted parameter values in terms of microscopic physicochemical mechanisms. The problem is even deeper in SCMs for clay minerals like montmorillonite having at least two surface types: the edges exposing different (aluminol and silanol) functional groups, and the basal siloxane planes with permanent charge and ion exchange. A feasible way to overcome the caveat of SCMs is seen nowadays in relying on crystallographic data and ab initio calculations to restrict the EDL setup, species stoichiometries, and input parameter values when constructing the adsorption model. The aim of this contribution is to discuss how recent advances in sample surface characterization an d in quantum-chemistry calculations for pyrophyllite can help in putting together a multi-site-surface electrostatic SCM for montmorillonite implemented in GEM approach. The quality of macroscopic model fits is checked against the titration data. (authors)

  14. Characterisation of group behaviour surface texturing with multi-layers fitting method

    Science.gov (United States)

    Kang, Zhengyang; Fu, Yonghong; Ji, Jinghu; Wang, Hao

    2016-07-01

    Surface texturing was widely applied in improving the tribological properties of mechanical components, but study of measurement of this technology was still insufficient. This study proposed the multi-layers fitting (MLF) method to characterise the dimples array texture surface. Based on the synergistic effect among the dimples, the 3D morphology of texture surface was rebuilt by 2D stylus profiler in the MLF method. The feasible regions of texture patterns and sensitive parameters were confirmed by non-linear programming, and the processing software of MLF method was developed based on the Matlab®. The characterisation parameters system of dimples was defined mathematically, and the accuracy of MLF method was investigated by comparison experiment. The surface texture specimens were made by laser surface texturing technology, in which high consistency of dimples' size and distribution was achieved. Then, 2D profiles of different dimples were captured by employing Hommel-T1000 stylus profiler, and the data were further processed by MLF software to rebuild 3D morphology of single dimple. The experiment results indicated that the MLF characterisation results were similar to those of Wyko T1100, the white light interference microscope. It was also found that the stability of MLF characterisation results highly depended on the number of captured cross-sections.

  15. Cationic poly(ɛ-caprolactone) surface functionalized mesoporous silica nanoparticles and their application in drug delivery

    Science.gov (United States)

    Zhang, Yan; Wang, Zhaojun; Zhou, Weimin; Min, Guoquan; Lang, Meidong

    2013-07-01

    Cationic poly(ɛ-caprolactone) modified hollow mesoporous silica (HMSNs) was achieved by a post graft method via covalent linkage between the silanols on the surface of silica and the trimethoxysilane groups at the end of the poly(γ-(carbamic acid benzyl ester)-ɛ-caprolactone). The trimethoxysilane groups were introduced to poly(γ-(carbamic acid benzyl ester)-ɛ-caprolactone) by ring opening polymerization of γ-(carbamic acid benzyl ester)-ɛ-caprolactone (γCABɛCL) with 3-aminopropyl trimethoxysilane as initiator. Subsequently, the polymer was grafted to the HMSNs and the protected groups of Cbz were removed, thus the amino groups were obtained accordingly. The structure of the polymer was confirmed by 1H NMR. In addition, the TEM and SEM demonstrated that the HMSNs were spherical and the polymer was well coated on the spheres. FTIR, TGA and N2 adsorption results proved that the modified processes were effective and the structure of the HMSNs was well reserved. The cationic surface was further confirmed by zeta potential. Moreover, the potential application of the HMSNs in drug delivery was studied with ammonium glycyrrhizinate (AMG) as model drug. Results showed that the cationic HMSNs could be an efficient AMG carrier.

  16. Integrated antimicrobial and antifouling ultrafiltration membrane by surface grafting PEO and N-chloramine functional groups.

    Science.gov (United States)

    Hou, Shuhua; Xing, Jialin; Dong, Xue; Zheng, Jifu; Li, Shenghai

    2017-08-15

    Ultrafiltration membranes with integrated antimicrobial and antifouling properties were fabricated using an engineering thermoplastic (carboxylated cardopoly(aryl ether ketone, PEK-COOH). Different molecular weights of PEO (Mw: 120, 350, 550) were grafted to the PEK-COOH membrane surface via EDC/NHS methodology. N-chloramine modified membranes then were prepared by simple exposure to dilute sodium hypochlorite solution. The surface grafting processes were all performed in water (i.e. without organic solvent). With this surface modification, the hydrophilicity of membranes improved significantly and the pure water flux increased compared to the unmodified PEK-COOH membrane. Furthermore, the PEO and N-chloramine modified membranes were resistant not only to both protein adsorption and bacterial adhesion, but also to microbial proliferation. The results of this work suggest that PEO and N-chloramine modified membranes are promising as fouling-resistant membranes. Copyright © 2017 Elsevier Inc. All rights reserved.

  17. Organic functionalization of group IV semiconductor surfaces: principles, examples, applications, and prospects

    Science.gov (United States)

    Bent, Stacey F.

    2002-03-01

    Organic functionalization is emerging as an important area in the development of new semiconductor-based materials and devices. Direct, covalent attachment of organic layers to a semiconductor interface provides for the incorporation of many new properties, including lubrication, optical response, chemical sensing, or biocompatibility. Methods by which to incorporate organic functionality to the surfaces of semiconductors have seen immense progress in recent years, and in this article several of these approaches are reviewed. Examples are included from both dry and wet processing environments. The focus of the article is on attachment strategies that demonstrate the molecular nature of the semiconductor surface. In many cases, the surfaces mimic the reactivity of their molecular carbon or organosilane counterparts, and examples of functionalization reactions are described in which direct analogies to textbook organic and inorganic chemistry can be applied. This article addresses the expected impact of these functionalization strategies on emerging technologies in nanotechnology, sensing, and bioengineering.

  18. [Distribution of perfluorinated compounds in surface water of Shenzhen reservoir groups].

    Science.gov (United States)

    Wang, Xin-Xuan; Zhang, Hong; He, Long; Shen, Jin-Can; Chai, Zhi-Fang; Yang, Bo; Wang, Yan-Ping

    2014-06-01

    In order to study the concentrations of 14 perfluorinated compounds (PFCs) in 25 surface water samples collected from 12 Shenzhen reservoirs in November of 2012 and January of 2013, high performance liquid chromatography-tandem mass spectrometry was combined with solid phase extraction enrichment in this research. The results indicated that perfluorohexane sulfonate and long-chain (C > or = 11) PFCs were below the detection limit in all samples and perfluorooctane acid was the primary species. No significant difference in concentration was found between samples from the center of the reservoir and the outlet. Heavy precipitations diluted PFCs concentrations in surface water, but also led to PFOA input. PFCs concentrations in surface water of the reservoir were mainly affected by water inlet, source environment and geography. Although the water temperature had positive correlations with sigma PFCs concentration, the influence of heavy precipitations was stronger than that of water temperature.

  19. The influence of PAMAM dendrimers surface groups on their interaction with porcine pepsin.

    Science.gov (United States)

    Ciolkowski, Michal; Rozanek, Monika; Bryszewska, Maria; Klajnert, Barbara

    2013-10-01

    In this study the ability of three polyamidoamine (PAMAM) dendrimers with different surface charge (positive, neutral and negative) to interact with a negatively charged protein (porcine pepsin) was examined. It was shown that the dendrimer with a positively charged surface (G4 PAMAM-NH2), as well as the dendrimer with a neutral surface (G4 PAMAM-OH), were able to inhibit enzymatic activity of pepsin. It was also found that these dendrimers act as mixed partially non-competitive pepsin inhibitors. The negatively charged dendrimer (G3.5 PAMAM-COOH) was not able to inhibit the enzymatic activity of pepsin, probably due to the electrostatic repulsion between this dendrimer and the protein. No correlation between changes in enzymatic activity of pepsin and alterations in CD spectrum of the protein was observed. It indicates that the interactions between dendrimers and porcine pepsin are complex, multidirectional and not dependent only on disturbances of the secondary structure.

  20. UBVI Surface Photometry of the Spiral Galaxy NGC 300 in the Sculptor Group

    Institute of Scientific and Technical Information of China (English)

    Sang Chul Kim; Hwankyung Sung; Hong Soo Park; Eon-Chang Sung

    2004-01-01

    We present UB Visurface photometry over a 20.5'× 20.5' area of the latetype spiral galaxy NGC 300.We have derived isophotal maps,surface brightness profiles,ellipticity profiles,position angle profiles,and color profiles.By merging ourI-band measurements with those of Boker et al.Based on Hubble Space Telescope observations,we have obtained combinedI-band surface brightness profiles for the region 0.02″< r < 500″ and have decomposed the profiles into three components:a nucleus,a bulge,and an exponential disk.

  1. Responsive PET nano/microfibers via surface-initiated polymerization.

    Science.gov (United States)

    Özçam, A Evren; Roskov, Kristen E; Genzer, Jan; Spontak, Richard J

    2012-01-01

    Poly(ethylene terephthalate) (PET) is one of the most important thermoplastics in ubiquitous use today because of its mechanical properties, clarity, solvent resistance, and recyclability. In this work, we functionalize the surface of electrospun PET microfibers by growing poly(N-isopropylacrylamide) (PNIPAAm) brushes through a chemical sequence that avoids PET degradation to generate thermoresponsive microfibers that remain mechanically robust. Amidation of deposited 3-aminopropyltriethoxysilane, followed by hydrolysis, yields silanol groups that permit surface attachment of initiator molecules, which can be used to grow PNIPAAm via "grafting from" atom-transfer radical polymerization. Spectroscopic analyses performed after each step confirm the expected reaction and the ultimate growth of PNIPAAm brushes. Water contact-angle measurements conducted at temperatures below and above the lower critical solution temperature of PNIPAAm, coupled with adsorption of Au nanoparticles from aqueous suspension, demonstrate that the brushes retain their reversible thermoresponsive nature, thereby making PNIPAAm-functionalized PET microfibers suitable for filtration media, tissue scaffolds, delivery vehicles, and sensors requiring robust microfibers. © 2012 American Chemical Society

  2. Polarity of an MCM-41 adsorbent surface modified with methyl and phenyl groups based on data from gas chromatography

    Science.gov (United States)

    Sukhareva, D. A.; Gus'kov, V. Yu.; Karpov, S. I.; Kudasheva, F. Kh.; Roessner, F.; Borodina, E. V.

    2016-02-01

    The polarity of an MCM-41 adsorbent surface and organosilylated composites based on it with grafted trimethylsilane and dimethylphenylsilane groups is studied via inverse gas chromatography at infinite dilution. The dispersion and specific components of the value proportional to the Helmholtz adsorption energy are calculated, and a comparative analysis of the surface polarity of MCM-41 and its modified analogs relative to the commercially available C-120 silica gel is performed. The electrostatic and donor-acceptor components of the specific Helmholtz adsorption energy are calculated through linear decomposition of the adsorption energy. It is established that MCM-41 is less polar than C-120. The modification of the initial adsorbent surface leads to a reduction in polarity, due mainly to the weakening of induction and orientation interactions. It is concluded that the surfaces of the modified samples retain the ability to form hydrogen bonds.

  3. Interaction between two solid surfaces across PDMS : influence of chain length and end group

    NARCIS (Netherlands)

    Sun, G.X.; Stark, R.; Kappl, M.; Leermakers, F.A.M.; Butt, H.J.

    2005-01-01

    Forces between solid surfaces across polymer melts are poorly understood despite their importance for adhesion and composite materials. Using an atomic force microscope (AFM) this force was measured for poly(dimethyl siloxane) (PDMS) on silicon oxide. The influence of molecular weight (4.0-40 kDa) w

  4. Synthesis of OH-group-containing, biodegradable polyurethane and protein fixation on its surface.

    Science.gov (United States)

    Yang, Lixin; Wei, Jizheng; Yan, Lesan; Huang, Yubin; Jing, Xiabin

    2011-06-13

    A series of biodegradable polyurethanes containing free side hydroxyl groups (PUOH) were synthesized successfully in two steps: (1) PLA diol as soft segment, hexamethylene diisocyanate (HDI) as hard segment, and benzalpentaerythritol (BPO) as a chain extender were used to synthesize PUs with protected OH groups; (2) CF(3)COOH was used as a deprotection agent to remove the benzal groups on PU to prepare PUOH. The properties of PU and PUOH were characterized by Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance (NMR), differential scanning calorimetry (DSC), water contact angle measurement, and gel permeation chromatography (GPC). The benzal groups were removed completely in 15 min without detrimental effect on PU main chains to obtain PUOHs. 4-Azidobenzoic acid was conjugated to PUOH through its esterification with the free OH groups on PUOH. The results of immunofluorescence assay showed that the phenyl azide groups formed were capable of binding mouse IgG under UV (254 nm) irradiation in 3 min; the bound mouse IgG retained its own biological activity and could further bind the FITC-labeled anti(mouse IgG). Therefore, this material has a potential in immunofluorescence assay and related fields.

  5. Activated carbon fibers with a high content of surface functional groups by phosphoric acid activation of PPTA.

    Science.gov (United States)

    Castro-Muñiz, Alberto; Suárez-García, Fabián; Martínez-Alonso, Amelia; Tascón, Juan M D

    2011-09-01

    Activated carbon fibers (ACFs) were prepared by chemical activation of poly(p-phenylene terephthalamide (PPTA) with phosphoric acid, with a particular focus on the effects of impregnation ratio and carbonization temperature on both surface chemistry and porous texture. Thermogravimetric studies of the pyrolysis of PPTA impregnated with different amounts of phosphoric acid indicated that this reagent has a strong influence on the thermal degradation of the polymer, lowering the decomposition temperature and increasing the carbon yield. As concerns surface chemistry, TPD and chemical analysis results indicated that the addition of phosphoric acid increases the concentration of oxygenated surface groups, with a maximum at an impregnation ratio of 100 wt.%. The resulting materials present uncommon properties, namely a large amount of oxygen- and phosphorus-containing surface groups and a high nitrogen content. Porosity development following H(3)PO(4) activation was very significant, with values close to 1700 m(2)/g and 0.80 cm(3)/g being reached for the BET surface area and total pore volume, respectively. The pore size distributions remained confined to the micropore and narrow mesopore (<10 nm) range.

  6. Influence of {alpha}-methyl group on molecular aggregation structure and surface physicochemical properties of fluoroalkyl side chain polymers

    Energy Technology Data Exchange (ETDEWEB)

    Honda, K; Yamaguchi, H; Takahara, A [Graduate School of Engineering, Kyushu University, Motooka, Nishi-ku, Fukuoka, 819-0395 (Japan); Sakata, O; Sasaki, S; Takata, M [Japan Synchrotron Radiation Research Institute (JASRI) / SPring-8, Hyogo 679-5198 (Japan); Morita, M, E-mail: takahara@cstfkyushu-u.ac.j [Chemical Division, Daikin Industries, Ltd., 1-1 Nishi Hitotsuya, Settsu-shi, Osaka 566-8585 (Japan)

    2009-08-01

    Influence of {alpha}-methyl group on molecular aggregation states and surface physicochemical properties of poly(fluoroalkyl acrylate)s [PFA-C{sub y}, where y is fluoromethylene number in R{sub f} group] and poly(fluoroalkykl methacrylate)s [PFMA-C{sub y}] thin films were systematically investigated. Spin-coated PFA-C{sub y} and PFMA-C{sub y} thin films were characterized by dynamic contact angle measurements and grazing-incidence wide-angle X-ray diffraction (GIWAXD) measurements. GIWAXD data revealed that fluoroalkyl side chains of PFA-C{sub y} and PFMA-C{sub y} with y{>=}8 formed regular structures in the surface region as well as bulk one. However, the degree of orientation and ordering of the R{sub f} groups of PFMA-C{sub 8} thin films was low. Also, the receding contact angle ({theta}{sub r}) of PFMA-C{sub 8} thin films was lower than that of PFA-C{sub 8} ones. By annealing treatment, the {theta}{sub r} of PFMA-C{sub 8} was increased. These results suggest that the R{sub f} groups of PFMA-C{sub 8} were disordered due to presence of the {alpha}-methyl group. The R{sub f} groups became ordered to pack closely each other by annealing treatment, so that the water repellency was increased.

  7. Surface modification of hydroxyapatite nanocrystals by grafting polymers containing phosphonic acid groups.

    Science.gov (United States)

    Choi, Hyung Woo; Lee, Hong Jae; Kim, Kyung Ja; Kim, Hyun-Min; Lee, Sang Cheon

    2006-12-01

    A novel approach for the surface modification of hydroxyapatite (HAp) nanocrystals is described by grafting polymerization of vinyl phosphonic acid (VPA) using a redox initiating system in an aqueous media. Fourier transform infrared (FT-IR) and XRD analyses confirmed the modification reaction on HAp surfaces. Inductively coupled plasma mass spectroscopy (ICP MS) showed that the Ca/P molar ratio decreased from 1.67 to 1.36 with increasing the feed VPA amount. Zeta potentials of unmodified HAp and modified HAp in phosphate-buffered saline (PBS) solutions (pH 7.4, ionic strength = 10 mM) were negative and decreased with increasing the amount of grafted PVPA. Transmission electron microscopy (TEM) measurements and time-dependent phase monitoring indicated that the colloidal stability of modified HAp over unmodified HAp in water dramatically increased and tended to exist as single nanocrystals without aggregation.

  8. Solubility studies of inorganic–organic hybrid nanoparticle photoresists with different surface functional groups

    KAUST Repository

    Li, Li

    2016-01-01

    © 2016 The Royal Society of Chemistry. The solubility behavior of Hf and Zr based hybrid nanoparticles with different surface ligands in different concentrations of photoacid generator as potential EUV photoresists was investigated in detail. The nanoparticles regardless of core or ligand chemistry have a hydrodynamic diameter of 2-3 nm and a very narrow size distribution in organic solvents. The Hansen solubility parameters for nanoparticles functionalized with IBA and 2MBA have the highest contribution from the dispersion interaction than those with tDMA and MAA, which show more polar character. The nanoparticles functionalized with unsaturated surface ligands showed more apparent solubility changes after exposure to DUV than those with saturated ones. The solubility differences after exposure are more pronounced for films containing a higher amount of photoacid generator. The work reported here provides material selection criteria and processing strategies for the design of high performance EUV photoresists.

  9. Solubility studies of inorganic-organic hybrid nanoparticle photoresists with different surface functional groups

    Science.gov (United States)

    Li, Li; Chakrabarty, Souvik; Jiang, Jing; Zhang, Ben; Ober, Christopher; Giannelis, Emmanuel P.

    2016-01-01

    The solubility behavior of Hf and Zr based hybrid nanoparticles with different surface ligands in different concentrations of photoacid generator as potential EUV photoresists was investigated in detail. The nanoparticles regardless of core or ligand chemistry have a hydrodynamic diameter of 2-3 nm and a very narrow size distribution in organic solvents. The Hansen solubility parameters for nanoparticles functionalized with IBA and 2MBA have the highest contribution from the dispersion interaction than those with tDMA and MAA, which show more polar character. The nanoparticles functionalized with unsaturated surface ligands showed more apparent solubility changes after exposure to DUV than those with saturated ones. The solubility differences after exposure are more pronounced for films containing a higher amount of photoacid generator. The work reported here provides material selection criteria and processing strategies for the design of high performance EUV photoresists.The solubility behavior of Hf and Zr based hybrid nanoparticles with different surface ligands in different concentrations of photoacid generator as potential EUV photoresists was investigated in detail. The nanoparticles regardless of core or ligand chemistry have a hydrodynamic diameter of 2-3 nm and a very narrow size distribution in organic solvents. The Hansen solubility parameters for nanoparticles functionalized with IBA and 2MBA have the highest contribution from the dispersion interaction than those with tDMA and MAA, which show more polar character. The nanoparticles functionalized with unsaturated surface ligands showed more apparent solubility changes after exposure to DUV than those with saturated ones. The solubility differences after exposure are more pronounced for films containing a higher amount of photoacid generator. The work reported here provides material selection criteria and processing strategies for the design of high performance EUV photoresists. Electronic supplementary

  10. Group V adsorbate structures on vicinal Ge(001) surfaces determined from the optical spectrum

    Science.gov (United States)

    Banerjee, S.; Patterson, C. H.; McGilp, J. F.

    2017-06-01

    Vicinal Ge(001) is the standard substrate for the fabrication of high-performance solar cells by metal-organic vapour phase epitaxy, where growth of the III-V material on single domain Ge surfaces, with a single dimer orientation, minimizes the formation of anti-phase domain defects. Reflectance anisotropy spectroscopy has proved to be a powerful and sensitive optical probe of such anisotropic surface structures, but moving beyond fingerprinting to atomic structure determination from the optical spectra has been held back by the high computational cost. It is shown that an empirical, local-orbital-based hybrid density functional theory approach produces very good agreement between the theory and the experiment for (2 × 1)-As and (2 × 1)-Sb structures grown on vicinal Ge(001). These results, when taken together with previous work on Si interfaces, show that this computationally efficient approach is likely to prove to be an important general technique for determining the structure of anisotropic semiconductor surfaces and interfaces by comparing the experimental and calculated optical spectrum.

  11. Optimum Conditions for Introducing Free Radical Polymerizable Methacrylate Groups on the MWCNT Surface by Michael Addition Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sunghoon; Park, Seonghwan; Kwon, Jaebeom; Ha, KiRyong [Keimyung University, Daegu (Korea, Republic of)

    2015-02-15

    In this study, we investigated optimum conditions for the introduction of a lot of free radical polymerizable methacrylate groups on the multi-walled carbon nanotube (MWCNT) surface. Carboxyl groups were introduced first on MWCNT surfaces by treating with a mixture of sulfuric acid and nitric acid with ultrasonic bath for 2 hours, and oxidized MWCNTs were reacted further with thionyl chloride followed by triethylenetetramine (TETA) to introduce amino groups on the oxidized MWCNT surface, to make MWCNT-NH{sub 2}. To introduce free radical polymerizable methacrylate groups on the MWCNT-NH{sub 2}, MWCNT-NH{sub 2} was reacted with 3-(acryloyloxy)-2-hydroxypropyl methacrylate (AHM) by Michael addition reaction. We investigated progress of modification reactions for MWCNT by fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA) and elemental analysis (EA). We found maximum degree of Michael addition reactions between AHM and TETA grafted on MWCNT-NH{sub 2} for 10:1 mol ratio and 8 hour reaction time in our reaction conditions.

  12. A chord diagrammatic presentation of the mapping class group of a once bordered surface

    DEFF Research Database (Denmark)

    Bene, Alex

    2010-01-01

    The Ptolemy groupoid is a combinatorial groupoid generated by elementary moves on marked trivalent fatgraphs with three types of relations. Through the fatgraph decomposition of Teichmüller space, the Ptolemy groupoid is a mapping class group equivariant subgroupoid of the fundamental path groupo...

  13. Non-exchanging hydroxyl groups on the surface of cellulose fibrils: The role of interaction with water.

    Science.gov (United States)

    Lindh, Erik L; Bergenstråhle-Wohlert, Malin; Terenzi, Camilla; Salmén, Lennart; Furó, István

    2016-11-03

    The interaction of water with cellulose stages many unresolved questions. Here (2)H MAS NMR and IR spectra recorded under carefully selected conditions in (1)H-(2)H exchanged, and re-exchanged, cellulose samples are presented. It is shown here, by a quantitative and robust approach, that only two of the three available hydroxyl groups on the surface of cellulose fibrils are exchanging their hydrogen with the surrounding water molecules. This finding is additionally verified and explained by MD simulations which demonstrate that the (1)HO(2) and (1)HO(6) hydroxyl groups of the constituting glucose units act as hydrogen-bond donors to water, while the (1)HO(3) groups behave exclusively as hydrogen-bond acceptors from water and donate hydrogen to their intra-chain neighbors O(5). We conclude that such a behavior makes the latter hydroxyl group unreactive to hydrogen exchange with water.

  14. Tuning surface properties of amino-functionalized silica for metal nanoparticle loading: The vital role of an annealing process

    Science.gov (United States)

    Pei, Yuchen; Xiao, Chaoxian; Goh, Tian-Wei; Zhang, Qianhui; Goes, Shannon; Sun, Weijun; Huang, Wenyu

    2016-06-01

    Metal nanoparticles (NPs) loaded on oxides have been widely used as multifunctional nanomaterials in various fields such as optical imaging, sensors, and heterogeneous catalysis. However, the deposition of metal NPs on oxide supports with high efficiency and homogeneous dispersion still remains elusive, especially when silica is used as the support. Amino-functionalization of silica can improve loading efficiency, but metal NPs often aggregate on the surface. Herein, we report that a facial annealing of amino-functionalized silica can significantly improve the dispersion and enhance the loading efficiency of various metal NPs, such as Pt, Rh, and Ru, on the silica surface. A series of characterization techniques, such as diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), Zeta potential analysis, UV-Vis spectroscopy, thermogravimetric analysis coupled with infrared analysis (TGA-IR), and nitrogen physisorption, were employed to study the changes of surface properties of the amino-functionalized silica before and after annealing. We found that the annealed amino-functionalized silica surface has more cross-linked silanol groups and relatively lesser amount of amino groups, and less positively charges, which could be the key to the uniform deposition of metal NPs during the loading process. These results could contribute to the preparation of metal/oxide hybrid NPs for the applications that require uniform dispersion.

  15. Preparation of Novel Derivatives Containing Bi-Perfluorooctane-Sulfonamide Groups and Their Surface Properties on Paper

    Institute of Scientific and Technical Information of China (English)

    XIE Kong-liang; SHI Ya-qi; WU Zhong-jie

    2007-01-01

    Novel derivatives containing bi-perfluorooctane-sulfonamide group were designed and synthesized. The19FNMR, FTIR were used to characterize derivativesstructures. The compounds were applied to paper for oil-repellency. The results show that treated paper hadexcellent oil-repellency at very low concentration of bi-perfluorooctane-sulfonamide derivatives. When novelcompounds, polyvinyl alcohol(PVA) and oxidized starchwere applied together as coat sizing, the oxidized starch andPVA did not affect the oil repellency properties of paper.

  16. Distribution and localization of hydrophobic and ionic chemical groups at the surface of bleached human hair fibers.

    Science.gov (United States)

    Korte, Michael; Akari, Sabri; Kühn, Harald; Baghdadli, Nawel; Möhwald, Helmuth; Luengo, Gustavo S

    2014-10-21

    A chemical mapping with high lateral resolution using an atomic force microscope in the pulsed force mode with chemically modified tips, introduced as "dynamic chemical force microscopy" (dCFM), was carried out to investigate the chemical properties of the cuticle of human hair and its changes following an oxidative treatment. Chemically modified atomic force microscopy (AFM) tips, CH3- and NH2-terminated, were applied to achieve a defined chemical contrast (hydrophobic and ionic) in aqueous medium. A comparative Fourier transform infrared spectroscopy-attenuated total reflection identified the dominant chemical groups of the surface vicinity of the hair fiber resulting from the bleaching process. The combined experimental results lead to the conclusion that the hydrophobic top layer is partially removed after bleaching, resulting mostly in hydrophilic SO3(-) end groups at the top of the surface of the hair, with a mean surface density "δ(mean)" of negatively charged groups of approximately 2.2 molecules/nm(2), corresponding to ∼600 μg/m(2) cysteic acid. This indicates that thioester bonds are disrupted and fatty acids are removed as a result of cysteine oxidation. At the molecular level, our results indicate a clustered "self-assembled monolayer" alignment of cysteic acid with a crystal-like structuring, reminiscent of the "fluid mosaic model of cell membranes", with a surface energy of approximately 0.04 N/m. Despite previous extensive works of AFM on human hair, this is, to our knowledge, the first time that the hydrophobic and ionic sites at the top surface of hair have been imaged at the nanoscale with dCFM.

  17. Atomic layer epitaxy of group 4 materials: Surface processes, thin films, devices and their characterization

    Science.gov (United States)

    Davis, Robert F.

    1994-06-01

    The viability of Si2Cl6, C2H2 and C2H4 as precursors for chemically self-limiting ALE of SiC has been investigated via XPS and LEED. Si2Cl6 readily adsorbs in a self-limiting manner on a Si(100) surface; however, neither hydrocarbon will adsorb or react with a Cl-terminated Si surface to 475 deg C. Conversely, partial chlorination of Si(100) saturated with C2H2 and C2H4 does occur and implies that Si2Cl6 will adsorb/react with a hydrocarbon terminated surface. Layer-by-layer growth of Beta-SiC on Si(100) or 6H-SiC has been achieved with a carrier concentration of approx. 10(exp 17)/cu cm. P-type doping with Al has allowed the achievement of hole concentrations of 4 x 10(exp 18) - 2 10(exp 20)/cu cm. Efforts to produce an HBT using Beta-SiC emitters is described. Ni3Si has been employed for the deposition of diamond because of the close lattice match. Under the same growth conditions, diamond particles were obtained on the Ni3Si, but only diamond-like C and graphite on pure Ni substrates. Evidence of oriented particles was observed. REED and TEM of cerium oxide films grown on Si(111) substrates has revealed the formation of a dual amorphous layer of CeOx and SiO2 at the Si interface followed by a layer of CeO2. Post annealing in dry oxygen caused the CeOx layer to disappear and the SiO2 layer to thicken. D(sub it) = 6 x 10(exp 11)/sq cm and Q sub f = 5 x 10(exp 11)/sq cm. The structure exhibits a high capacitance due to the large dielectric constant of CeO2 and has electrical properties comparable with those of other reported gate insulators on Si.

  18. Comparison study of two aldehyde group finishing agents in surface modification of up-conversion luminescence materials

    Institute of Scientific and Technical Information of China (English)

    CUI Lili; FAN Huili; XIAO Junping; XU Xiaowei

    2008-01-01

    Surface modification of up-conversion luminescence materials (Na[Y0.57Yb0.39Er0.04]F4 modified by amino groups) by grafting and modifying with aldehyde groups was studied by means of Fourier transform infrared spectroscopy (FFIR),scanning electron microscopy (SEM),thermogravimetric analysis (TGA),and emission spectrum (EM).The surface modification effect was compared using two different finishing agents,p-phthalaldehyde and glutaraldehyde.It was found that the surface of up-conversion luminescence materials could be modified by aldehyde groups of the two finishing agents,the systematic dispersibility and the thermostability of the up-conversion luminescence material modified by p-phthalaldehyde were better than those of the material modified by glutaraldehyde,and the luminous intensity of the material modified by p-phthalaldehyde was increased.The AI (the ratio of the suspended segmental quality in the specimen to the total mass of the specimen) of the material modified by p-phthalaldehyde was higher than that of the material modified by glutaraldehyde.It is obviously seen that the embellishment effect of p-phthalaldehyde as a finishing agent was better than that of glutaraldehyde.In addition,the reasons why p-phthalaldehyde is a good finishing agent are also explained.

  19. Analytical calculation of electron group velocity surfaces in uniform strained graphene

    Science.gov (United States)

    Gómez-Arias, Wilfrido A.; Naumis, Gerardo G.

    2016-12-01

    Electron group velocity for graphene under uniform strain is obtained analytically by using the tight-binding (TB) approximation. Such closed analytical expressions are useful in order to calculate the electronic, thermal and optical properties of strained graphene. These results allow to understand the behavior of electrons when graphene is subjected to strong strain and nonlinear corrections, for which the usual Dirac approach is no longer valid. Some particular cases of uniaxial and shear strain were analyzed. The evolution of the electron group velocity indicates a break-up of the trigonal warping symmetry, which is replaced by a warping consistent with the symmetry of the strained reciprocal lattice. To do this, analytical expressions for the shape of the first Brillouin zone (BZ) of the honeycomb strained reciprocal lattice are provided. Finally, the Fermi velocity becomes strongly anisotropic, i.e., for a strong pure shear strain (20% of the lattice parameter), the two inequivalent Dirac cones merge and the Fermi velocity is zero in one of the principal axis of deformation. We found that nonlinear terms are essential to describe the effects of deformation for electrons near or at the Fermi energy.

  20. Effect of temperature and time on microstructure and surface functional groups of activated carbon fibers prepared from liquefied wood

    Directory of Open Access Journals (Sweden)

    Wenjing Liu

    2012-11-01

    Full Text Available Activated carbon fibers were prepared from liquefied wood through stream activation. The effects of activation temperature and time on the microstructure and surface functional groups of the liquefied wood activated carbon fibers (LWACFs were studied using analysis of burning behavior, X-ray diffraction, nitrogen adsorption-desorption isotherms, X-ray photoelectron spectroscopy, and SEM. The results showed that the burn-off value of the LWACFs increased gradually with the increase in temperature or time. All the LWACFs were far from being structurally graphitized, and in general, as temperature or time increased, the degree of graphitization and thickness of crystal structure increased. In addition, the LWACFs possessed rich micropores, and their specific surface area, pore volume, micropore size, and mesopore quantity were directly related to the activation temperature or time. The maximum specific surface area was found to be 2641 m2/g. The fractal dimension values of all samples were close to 3, indicating that their surfaces were very rough. Furthermore, with an increase in temperature or time, the elemental content of carbon increased, while that of oxygen decreased. Meanwhile, as the temperature or time increased, the relative content of graphitic carbon decreased, whereas that of carbon bonded to oxygen-containing functions increased. The surface of samples prepared at higher temperature or with longer time formed a considerable amount of holes.

  1. Evidence for an initiation of the methanol-to-olefin process by reactive surface methoxy groups on acidic zeolite catalysts.

    Science.gov (United States)

    Wang, Wei; Buchholz, Andreas; Seiler, Michael; Hunger, Michael

    2003-12-10

    Recent progress reveals that, in the methanol-to-olefin (MTO) process on acidic zeolites, the conversion of an equilibrium mixture of methanol and DME is dominated by a "hydrocarbon pool" mechanism. However, the initial C-C bond formation, that is, the chemistry during the kinetic "induction period" leading to the reactive hydrocarbon pool, still remains unclear. With the application of a stopped-flow protocol, in the present work, pure surface methoxy groups [SiO(CH(3))Al] were prepared on various acidic zeolite catalysts (H-Y, H-ZSM-5, H-SAPO-34) at temperatures lower than 473 K, and the further reaction of these methoxy species was investigated by in situ (13)C MAS NMR spectroscopy. By using toluene and cyclohexane as probe molecules which are possibly involved in the MTO process, we show the high reactivity of surface methoxy species. Most importantly, the formation of hydrocarbons from pure methoxy species alone is demonstrated for the first time. It was found that (i) surface methoxy species react at room temperature with water to methanol, indicating the occurrence of a chemical equilibrium between these species at low temperatures. In the presence of aromatics and alkanes, (ii) the reactivity of surface methoxy groups allows a methylation of these organic compounds at reaction temperatures of ca. 433 and 493 K, respectively. In the absence of water and other organic species, that is, under flow conditions and on partially methylated catalysts, (iii) a conversion of pure methoxy groups alone to hydrocarbons was observed at temperatures of T >/= 523 K. This finding indicates a possible formation of the first hydrocarbons during the kinetic induction period of the MTO process via the conversion of pure surface methoxy species (case iii). After the first hydrocarbons are formed, or in the presence of a small amount of organic impurities, surface methoxy groups contribute to a further methylation of these organic compounds (case ii), leading to the formation of

  2. Progress in the synthesis and characterization of magnetite nanoparticles with amino groups on the surface

    Energy Technology Data Exchange (ETDEWEB)

    Durdureanu-Angheluta, A.; Dascalu, A.; Fifere, A.; Coroaba, A.; Pricop, L. [Centre of Advanced Research in Bionanoconjugates and Biopolymers, ' ' Petru Poni' ' Institute of Macromolecular Chemistry of Romanian Academy, 41A Aleea Grigore Ghica Voda, 700487 Iasi (Romania); Chiriac, H. [National Institute of Research and Development in Technical Physics, 700050 Iasi (Romania); Tura, V. [Faculty of Physics, ' ' Al. I. Cuza' ' University, B-dul Carol I, no. 11, 700506 Iasi (Romania); Pinteala, M., E-mail: pinteala@icmpp.ro [Centre of Advanced Research in Bionanoconjugates and Biopolymers, ' ' Petru Poni' ' Institute of Macromolecular Chemistry of Romanian Academy, 41A Aleea Grigore Ghica Voda, 700487 Iasi (Romania); Simionescu, B.C. [Centre of Advanced Research in Bionanoconjugates and Biopolymers, ' ' Petru Poni' ' Institute of Macromolecular Chemistry of Romanian Academy, 41A Aleea Grigore Ghica Voda, 700487 Iasi (Romania); Department of Natural and Synthetic Polymers, ' ' Gh. Asachi' ' Technical University of Iasi, 73 Mangeron Blvd, 700050 Iasi (Romania)

    2012-05-15

    This manuscript deals with the synthesis of new hydrophilic magnetite particles by employing a two-step method: in the first step magnetite particles with hydrophobic shell formed in presence of oleic acid-oleylamine complex through a synthesis in mass, without solvent, in a mortar with pestle were obtained; while in the second step the hydrophobic shell was interchanged with an aminosilane monomer. The influence of the Fe{sup 2+}/Fe{sup 3+} molar ratio on the dimension of the particles of high importance for their potential applications was carefully investigated. This paper, also presents an alternative method of synthesis of new core-shell magnetite particles and the complete study of their structure and morphology by FT-IR, XPS, TGA, ESEM and TEM techniques. The rheological properties and magnetization analysis of high importance for magnetic particles were also investigated. - Highlights: Black-Right-Pointing-Pointer Magnetite particles are superparamagnetic materials. Black-Right-Pointing-Pointer Magnetite has significant role in nanotechnology due to surface properties and applicability in physical and chemical processes. Black-Right-Pointing-Pointer We used an ecological method of synthesis, a reaction in mass, without solvent, in a mortar with pestle. Black-Right-Pointing-Pointer We prepared hydrophilic magnetite particles, precursors for biomedical applications.

  3. On the lipid head group hydration of floating surface monolayers bound to self-assembled molecular protein layers

    DEFF Research Database (Denmark)

    Lösche, M.; Erdelen, C.; Rump, E.

    1994-01-01

    with molecular resolution. Emphasis here is placed on the hydration of the lipid head groups in the bound state. For three functionalized lipids with spacers of different lengths between the biotin and their chains it was observed that the head groups were dehydrated in monolayers of the pure lipids, which were...... kept at low surface pressure before protein adsorption. The introduction of dipole moments at the interface by the admixture of phospholipids or the application of lateral pressure on the lipid monolayer before protein adsorption were found to impose an extension of the spacer moieties. The biotin...... groups were thus presented further away from the interface, and a hydration layer between the protein and the functionalized interface was observed in the self-assembled supramolecular structures....

  4. Use of Oligonucleotides Carrying Photolabile Groups for the Control of the Deposition of Nanoparticles in Surfaces and Nanoparticle Association

    Directory of Open Access Journals (Sweden)

    Brendan Manning

    2011-10-01

    Full Text Available An oligodeoxynucleotide hairpin containing a photolabile 2-nitrobenzyl group in the loop and terminated with a thiol function was prepared. The photocleavage of such a hairpin on gold yields a surface activated with a single stranded oligonucleotide which can be utilised to direct the assembly of nanoparticles conjugated with a complementary strand. Analysis of photocleaved surfaces gives nanoparticle coverage one order of magnitude higher than nonphotocleaved surfaces. This illustrates the ability of photocleavable hairpins to direct the assembly of nanomaterials on conducting materials. The conjugation of the photocleavable hairpin to a gold nanoparticle allows the observation of intermolecular interactions between hairpins linked in different nanoparticles, by comparing the thermal dissociations of a hairpin-nanoparticle conjugates at 260 nm and 520 nm. We have also shown that it is possible to permanently alter the physiochemical properties of DNA-nanoparticles by the introduction of a photocleavable group. Indeed for the first time it has been shown that by exposure to UV light the disassembly of nanoparticle aggregates can be induced.

  5. Two Paths from the Same Place: Task Driven and Human Centered Evolution of a Group Information Surface

    Science.gov (United States)

    Russell, Daniel M.; Trimble, Jay; Wales, Roxana; Clancy, Daniel (Technical Monitor)

    2003-01-01

    This is the tale of two different implementations of a collaborative information tool, that started from the same design source. The Blueboard, developed at IBM Research, is a tool for groups to use in exchanging information in a lightweight, informal collaborative way. It began as a large display surface for walk-by use in a corporate setting and has evolved in response to task demands and user needs. At NASA, the MERBoard is being designed to support surface operations for the upcoming Mars Exploration Rover Missions. The MERBoard is a tool that was inspired by the Blueboard design, extending this design to support the collaboration requirements for viewing, annotating, linking and distributing information for the science and engineering teams that will operate two rovers on the surface of Mars. The ways in which each group transformed the system reflects not only technical requirements, but also the needs of users in each setting and embedding of the system within the larger socio-technical environment. Lessons about how task requirements, information flow requirements and work practice drive the evolution of a system are illustrated.

  6. Surface Hydrophilicity and Functional Group-Driven Iron(III) Hydroxide Nucleation on Organic-Coated Substrates in Aqueous Environments

    Science.gov (United States)

    Ray, J.; Lee, B.; Baltrusaitis, J.; Jun, Y.

    2012-12-01

    polyaspartate substrate and least in the presence of the quartz substrate. Based on contact angle measurements and surface characterization, we concluded that the degree of hydrophilicity may control heterogeneous nucleation. Differences in substrate surface energy and potential arrangements of functional groups at the substrate surface (-OH and -COOH) may also contribute to the observed trends. These results provide new information for elucidating the effects of polymeric organic substrate coatings on the size, volume, and location of nucleating iron hydroxides, which will help predict nanoparticle interactions in natural and engineered systems. While iron oxide nanoparticles have been extensively studied in aqueous systems, there are still few studies providing in situ hetero- and homogeneous nucleation in the presence of relevant environmental organic substrates, which can aid in modeling the fate and transport of nanoparticles and contaminants in aqueous systems.

  7. Density functional theory based-study of 5-fluorouracil adsorption on β-cristobalite (1 1 1) hydroxylated surface: The importance of H-bonding interactions

    Science.gov (United States)

    Simonetti, S.; Compañy, A. Díaz; Pronsato, E.; Juan, A.; Brizuela, G.; Lam, A.

    2015-12-01

    Silica-based mesoporous materials have been recently proposed as an efficient support for the controlled release of a popular anticancer drug, 5-fluorouracil (5-FU). Although the relevance of this topic, the atomistic details about the specific surface-drug interactions and the energy of adsorption are almost unknown. In this work, theoretical calculations using the Vienna Ab-initio Simulation Package (VASP) applying Grimme's-D2 correction were performed to elucidate the drug-silica interactions and the host properties that control 5-FU drug adsorption on β-cristobalite (1 1 1) hydroxylated surface. This study shows that hydrogen bonding, electron exchange, and dispersion forces are mainly involved to perform the 5-FU adsorption onto silica. This phenomenon, revealed by favorable energies, results in optimum four adsorption geometries that can be adopted for 5-FU on the hydroxylated silica surface. Silanols are weakening in response to the molecule approach and establish H-bonds with polar groups of 5-FU drug. The final geometry of 5-FU adopted on hydroxylated silica surface is the results of H-bonding interactions which stabilize and fix the molecule to the surface and dispersion forces which approach it toward silica (1 1 1) plane. The level of hydroxylation of the SiO2 (1 1 1) surface is reflected by the elevated number of hydrogen bonds that play a significant role in the adsorption mechanisms.

  8. Tailoring surface properties and structure of layered double hydroxides using silanes with different number of functional groups

    Science.gov (United States)

    Tao, Qi; He, Hongping; Li, Tian; Frost, Ray L.; Zhang, Dan; He, Zisen

    2014-05-01

    Four silanes, trimethylchlorosilane (TMCS), dimethyldiethoxylsilane (DMDES), 3-aminopropyltriethoxysilane (APTES) and tetraethoxysilane (TEOS), were adopted to graft layered double hydroxides (LDH) via an induced hydrolysis silylation method (IHS). Fourier transform infrared spectra (FTIR) and 29Si MAS nuclear magnetic resonance spectra (29Si MAS NMR) indicated that APTES and TEOS can be grafted onto LDH surfaces via condensation with hydroxyl groups of LDH, while TMCS and DMDES could only be adsorbed on the LDH surface with a small quantity. A combination of X-ray diffraction patterns (XRD) and 29Si MAS NMR spectra showed that silanes were exclusively present in the external surface and had little influence on the long range order of LDH. The surfactant intercalation experiment indicated that the adsorbed and/or grafted silane could not fix the interlamellar spacing of the LDH. However, they will form crosslink between the particles and affect the further surfactant intercalation in the silylated samples. The replacement of water by ethanol in the tactoids and/or aggregations and the polysiloxane oligomers formed during silylation procedure can dramatically increase the value of BET surface area (SBET) and total pore volumes (Vp) of the products.

  9. Effects of crystalline structures and surface functional groups on the adsorption of haloacetic acids by inorganic materials.

    Science.gov (United States)

    Punyapalakul, Patiparn; Soonglerdsongpha, Suwat; Kanlayaprasit, Chutima; Ngamcharussrivichai, Chawalit; Khaodhiar, Sutha

    2009-11-15

    The effects of the crystalline structure and surface functional groups of porous inorganic materials on the adsorption of dichloroacetic acid (DCAA) were evaluated by using hexagonal mesoporous silicates (HMS), two surface functional group (3-aminopropyltriethoxy- and 3-mercaptopropyl-) modified HMSs, faujasite Y zeolite and activated alumina as adsorbents, and compared with powdered activated carbon (PAC). Selective adsorption of HAA(5) group was studied by comparing single and multiple-solute solution, including effect of common electrolytes in tap water. Adsorption capacities were significantly affected by the crystalline structure. Hydrogen bonding is suggested to be the most important attractive force. Decreasing the pH lower than the pH(zpc) increased the DCAA adsorption capacities of these adsorbents due to electrostatic interaction and hydrogen bonding caused by protonation of the hydronium ion. Adsorption capacities of HAA(5) on HMS did not relate to molecular structure of HAA(5). Common electrolytes did not affect the adsorption capacities and selectivity of HMS for HAA5, while they affected those of PAC.

  10. Surface radiological investigation of Trench 5 in Waste Area Grouping 7 at Oak Ridge National Laboratory, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Goff, D.D.

    1991-08-01

    A surface radiological investigation of areas encompassing Trench 5 on the Oak Ridge Reservation (ORR) was conducted from May 1990 through November 1990. This survey was led by the author, assisted by various members of the Measurement Applications and Development (MAD) group of the Health and Safety Research Division (HASRD) of Oak Ridge National Laboratory (ORNL) in Oak Ridge, Tennessee. The purpose of the investigation was to determine the presence, nature, and extent of surface radiological contamination at Trench 5, the Homogeneous Reactor Experiment fuel wells, and surrounding areas. Based on the data obtained in the field, interim corrective measures were recommended to limit human exposure to radioactivity and to minimize insult to the environment. It should be stressed that this project was not intended to be a complete site characterization but rather to be a preliminary investigation into the potential contamination problem that might exist as a result of past operations at Trench 5.

  11. Theoretical study of chlordecone and surface groups interaction in an activated carbon model under acidic and neutral conditions.

    Science.gov (United States)

    Gamboa-Carballo, Juan José; Melchor-Rodríguez, Kenia; Hernández-Valdés, Daniel; Enriquez-Victorero, Carlos; Montero-Alejo, Ana Lilian; Gaspard, Sarra; Jáuregui-Haza, Ulises Javier

    2016-04-01

    Activated carbons (ACs) are widely used in the purification of drinking water without almost any knowledge about the adsorption mechanisms of the persistent organic pollutants. Chlordecone (CLD, Kepone) is an organochlorinated synthetic compound that has been used mainly as agricultural insecticide. CLD has been identified and listed as a persistent organic pollutant by the Stockholm Convention. The selection of the best suited AC for this type of contaminants is mainly an empirical and costly process. A theoretical study of the influence of AC surface groups (SGs) on CLD adsorption is done in order to help understanding the process. This may provide a first selection criteria for the preparation of AC with suitable surface properties. A model of AC consisting of a seven membered ring graphene sheet (coronene) with a functional group on the edge was used to evaluate the influence of the SGs over the adsorption. Multiple Minima Hypersurface methodology (MMH) coupled with PM7 semiempirical Hamiltonian was employed in order to study the interactions of the chlordecone with SGs (hydroxyl and carboxyl) at acidic and neutral pH and different hydration conditions. Selected structures were re-optimized using CAM-B3LYP to achieve a well-defined electron density to characterize the interactions by the Quantum Theory of Atoms in Molecules approach. The deprotonated form of surface carboxyl and hydroxyl groups of AC models show the strongest interactions, suggesting a chemical adsorption. An increase in carboxylic SGs content is proposed to enhance CLD adsorption onto AC at neutral pH conditions.

  12. A new insight into neutrino energy loss by electron capture of iron group nuclei in magnetars surface

    CERN Document Server

    Liu, Jing-Jing

    2016-01-01

    Based on the relativistic mean-field effective interactions theory, and Lai dong model \\citep{b37, b38, b39}, we discuss the influences of superstrong magnetic fields (SMFs) on electron Fermi energy, nuclear blinding energy, and single-particle level structure in magnetars surface. By using the method of Shell-Model Monte Carlo (SMMC), and the Random Phase Approximation (RPA) theory, we detailed analyze the neutrino energy loss rates(NELRs) by electron capture (EC) for iron group nuclei in SMFs.

  13. Skidding accidents : considerations on road surface and vehicle characteristics : summary of the present situation. Provisional recommendation concerning skidding resistance of road surfaces investigation programme. Interim report of the SWOV Working Group "Tyres, road surfaces and skidding accidents"

    NARCIS (Netherlands)

    SWOV Working Group "Tyres, road surfaces and skidding accidents"

    1970-01-01

    This is the first report of SWOV Working Group "Tyres, road surfaces and skidding accidents". Skidding is considered to be an important contributory factor in traffic accidents. Skidding can in principle be prevented in two ways, viz: (1) reduction of the minimum necessary friction, and (2) increasi

  14. Anchor group versus conjugation: toward the gap-state engineering of functionalized ZnO(1010) surface for optoelectronic applications.

    Science.gov (United States)

    Calzolari, Arrigo; Ruini, Alice; Catellani, Alessandra

    2011-04-20

    Molecular sensitization of the single-crystal ZnO (1010) surface through absorption of the catechol chromophore is investigated by means of density functional approaches. The resulting type II staggered interface is recovered in agreement with experiments, and its origin is traced back to the presence of molecular-related states in the gap of metal-oxide electronic structure. A systematic analysis carried out for further catecholate adsorbates allows us to identify the basic mechanisms that dictate the energy position of the gap states. The peculiar level alignment is demonstrated to be originated from the simultaneous interplay among the specific anchoring group, the backbone conjugation, and the lateral functional groups. The picture derived from our results provides efficient strategies for tuning the lineup between molecular and oxide states in hybrid interfaces with potential impact for ZnO-based optoelectronic applications.

  15. Group method analysis of mixed convection stagnation-point flow of non-Newtonian nanofluid over a vertical stretching surface

    Science.gov (United States)

    Nabwey, Hossam A.; Boumazgour, Mohamed; Rashad, A. M.

    2017-03-01

    The group method analysis is applied to study the steady mixed convection stagnation-point flow of a non-Newtonian nanofluid towards a vertical stretching surface. The model utilized for the nanofluid incorporates the Brownian motion and thermophoresis effects. Applying the one-parameter transformation group which reduces the number of independent variables by one and thus, the system of governing partial differential equations has been converted to a set of nonlinear ordinary differential equations, and these equations are then computed numerically using the implicit finite-difference scheme. Comparison with previously published studies is executed and the results are found to be in excellent agreement. Results for the velocity, temperature, and the nanoparticle volume fraction profiles as well as the local skin-friction coefficient and local Nusselt number are presented in graphical and tabular forms, and discussed for different values of the governing parameters to show interesting features of the solutions.

  16. Size-dependent interactions of silica nanoparticles with a flat silica surface.

    Science.gov (United States)

    Seo, Jihoon; Kim, Joo Hyun; Lee, Myoungjae; Moon, Jinok; Yi, Dong Kee; Paik, Ungyu

    2016-12-01

    We have investigated the surface chemistry of SiO2 nanoparticles (NPs) with different sizes and their corresponding interactions with a flat substrate of surface curvature ∼0. As the size of the NPs increases, the SiO2 surface is increasingly covered with H-bonded silanol groups, thereby increasing the ζ-potential and shifting the isoelectric point higher in pH. Interactions between the SiO2 NPs and the flat SiO2 surface were analyzed in situ using quartz crystal microbalance with dissipation (QCM-D) method, and the results were interpreted based on an extended Derjaguin-Landau-Verwey-Overbeek theory. At very low ionic strength (1mM NaCl), there was no particle adsorption onto the surface due to the highly repulsive energy barriers to this interaction. On the other hand, QCM-D results showed that the significant adsorption of SiO2 NPs onto a flat SiO2 surface occurred under conditions of high ionic strength (100mM NaCl). Interestingly, the adsorption behaviors of three different-sized SiO2 NPs on the surface varied considerably with size. SiO2 NPs with small size have high adsorption affinity with the flat SiO2 surface due to an extremely low energy barrier for the interactions, whereas relatively large SiO2 NPs have very weak adsorption affinity with the flat surface due to the repulsive energy barrier formed by the increase in the electrostatic and hydration repulsion energy.

  17. WISEP J004701.06+680352.1: An intermediate surface gravity, dusty brown dwarf in the AB Dor Moving Group

    CERN Document Server

    Gizis, John E; Liu, Michael C; Harris, Hugh C; Faherty, Jacqueline K; Burgasser, Adam J; Kirkpatrick, J Davy

    2014-01-01

    We present spectroscopy, astrometry, and photometry of the brown dwarf WISEP J004701.06+680352.1 (W0047+68), an unusually red field L dwarf at a distance of $12.2 \\pm 0.4$ parsecs. The three-dimensional space motion identifies it as a member of the AB Dor Moving Group, an identification supported by our classification of W0047+68 as intermediate surface gravity (INT-G) using the Allers \\& Liu (2013) near-infrared classification system. This moving group membership implies near-solar metallicity, age $\\sim 100-125$ Myr, $M \\approx 0.018~M_\\odot$, and $\\log g \\approx 4.5$; the thick condensate clouds needed to explain the infrared spectrum are therefore a result of the lower surface gravity than ordinary field brown dwarfs. From the observed luminosity and evolutionary model radius, we find $T_{eff} \\approx 1300 $K, a temperature normally associated with early T dwarfs. Thick clouds are also used to explain the spectral properties of directly imaged giant planets, and we discuss the successes and challenges...

  18. Characteristics of Corneal Astigmatism of Anterior and Posterior Surface in a Normal Control Group and Patients With Keratoconus.

    Science.gov (United States)

    Shajari, Mehdi; Friderich, Stefan; Pour Sadeghian, Miad; Schmack, Ingo; Kohnen, Thomas

    2017-04-01

    To evaluate and compare power and axis orientation of anterior and posterior astigmatism in eyes with keratoconus with healthy eyes. In this retrospective cohort study, we examined 861 eyes of 494 patients diagnosed with keratoconus at the Department of Ophthalmology, University Hospital Frankfurt, and 256 eyes of 256 healthy individuals. Using a Scheimpflug device (Pentacam HR), we measured the magnitude and axis orientation of anterior and posterior corneal astigmatism, corneal thickness, and conus location. The results were compared between different stages of the disease according to the Amsler-Krumeich classification and the control group. Magnitude of corneal astigmatism was 3.47 ± 2.10 diopters (D) on the anterior surface and 0.69  ± 0.40 D on the posterior surface in eyes across all keratoconus stages. We found a significant increase of anterior and posterior corneal astigmatism with progression of disease (P keratoconus a match between anterior and posterior alignment when alignment was vertical in 97% of eyes, 46% when oblique and 61% when horizontal (Cohen kappa coefficient κ = 0.55, P keratoconus, posterior axis alignment of corneal astigmatism is in line with alignment of the anterior surface in the majority of cases. Posterior astigmatism axis alignment could potentially be used in algorithms to support diagnosis and staging of keratoconus.

  19. WISEP J004701.06+680352.1: AN INTERMEDIATE SURFACE GRAVITY, DUSTY BROWN DWARF IN THE AB DOR MOVING GROUP

    Energy Technology Data Exchange (ETDEWEB)

    Gizis, John E. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Allers, Katelyn N. [Department of Physics and Astronomy, Bucknell University, Lewisburg, PA 17837 (United States); Liu, Michael C. [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu HI 96822 (United States); Harris, Hugh C. [US Naval Observatory, Flagstaff Station, 10391 West Naval Observatory Road, Flagstaff, AZ 86001 (United States); Faherty, Jacqueline K. [Department of Terrestrial Magnetism, Carnegie Institution of Washington 5241 Broad Branch Road NW, Washington, DC 20015 (United States); Burgasser, Adam J. [Center for Astrophysics and Space Science, University of California San Diego, La Jolla, CA 92093 (United States); Kirkpatrick, J. Davy [Infrared Processing and Analysis Center, MS 100-22, California Institute of Technology, Pasadena, CA 91125 (United States)

    2015-02-01

    We present spectroscopy, astrometry, and photometry of the brown dwarf WISEP J004701.06+680352.1 (W0047+68), an unusually red field L dwarf at a distance of 12.2 ± 0.4 pc. The three-dimensional space motion identifies it as a member of the AB Dor Moving Group, an identification supported by our classification of W0047+68 as intermediate surface gravity (INT-G) using the Allers and Liu near-infrared classification system. This moving group membership implies near-solar metallicity, age ∼100-125 Myr, M ≈ 0.018 M {sub ☉}, and log g ≈ 4.5; the thick condensate clouds needed to explain the infrared spectrum are, therefore, a result of surface gravity that is lower than that of ordinary field brown dwarfs. From the observed luminosity and evolutionary model radius, we find T {sub eff} ≈ 1300 K, a temperature normally associated with early T dwarfs. Thick clouds are also used to explain the spectral properties of directly imaged giant planets, and we discuss the successes and challenges for such substellar models in matching the observed optical and infrared spectra. W0047+68 shows that cloud thickness is more sensitive to intermediate surface gravity than in most models. We also present a trigonometric parallax of the dusty L6 dwarf 2MASS J21481628+4003593. It lies at 8.060 ± 0.036 parsecs; its astrometry is consistent with the view that it is older and metal-rich.

  20. Effect of particle size on surface modification of silica nanoparticles by using silane coupling agents and their dispersion stability in methylethylketone.

    Science.gov (United States)

    Iijima, Motoyuki; Tsukada, Mayumi; Kamiya, Hidehiro

    2007-03-15

    The effect of particle size on the reactivity of hexyltrimethoxysilane (C6S) with the particle surface was studied by using silica nanoparticles (SNPs) with different diameters (30 or 200 nm). In case of 30-nm SNPs, a large amount of isolated silanol was observed. On the other hand, in the case of 200-nm SNPs, the amount of hydrogen bonded silanol and hydrogen bonded water molecules at the surface of the SNPs increased. Since the hydrogen bonded silanol and the hydrogen bonded water enhanced the reaction of C6S with SNPs, the chemisorbed C6S on 200-nm SNPs was larger than that on 30-nm SNPs. Furthermore, the effects of surface modification on the dispersion stability in MEK were studied using viscosity measurements and surface force measurements by the AFM colloid probe method. The viscosity of the dilute SNPs/MEK suspension did not change by the chemisorptions of C6S; however, the viscosity of dense suspension reduced effectively by surface modification. It was estimated that the suspension viscosity reduced effectively when the mean particle surface distance in the suspension was near to the distance where the repulsive force appeared by the surface force measurements using the colloid probe AFM.

  1. Effects of Oxygen Element and Oxygen-Containing Functional Groups on Surface Wettability of Coal Dust with Various Metamorphic Degrees Based on XPS Experiment.

    Science.gov (United States)

    Zhou, Gang; Xu, Cuicui; Cheng, Weimin; Zhang, Qi; Nie, Wen

    2015-01-01

    To investigate the difference of surface oxygen element and oxygen-containing functional groups among coal dusts with different metamorphic degrees and their influence on surface wettability, a series of X-ray photoelectron spectroscopy experiments on 6 coal samples are carried out. The result demonstrates that the O/C ratio of coal surface shows an overall increasing trend compared with the result of its elements analysis. As the metamorphic degree increases, the O/C ratio on the surface gradually declines and the hydrophilic groups tend to fall off from coal surface. It could be found that different coals show different surface distributions of carboxyl and hydroxyl which are considered as the greatest promoter to the wettability of coal surface. With the change of metamorphic degree, the distribution of ether group is irregular while the carbonyl distribution keeps stable. In general, as the metamorphic degree goes higher, the content of oxygen-containing polar group tends to reduce. According to the measurement results, the contact angle is negatively related to the content of oxygen element, surface oxygen, and polar groups. In addition, compared with surface oxygen content, the content of oxygen-containing polar group serves as a more reasonable indicator of coal dust wettability.

  2. Effects of Different Solvents on the Surface Acidic Oxygen-containing Functional Groups on Xanthoceras sorbifolia Shell

    Directory of Open Access Journals (Sweden)

    Linan Liu

    2014-03-01

    Full Text Available This study reports the preparation of a novel biomaterial from a forestry residue - Xanthoceras sorbifolia shell (XSS - by solvent modification. The effects of acid and base (hydrochloric acerbic, acetic acid, sodium hydroxide, ammonia water and some organic solvents (ethanol, acetone, ethyl acetate, chloroform, petroleum ether, and n-hexane on the surface acidic functional groups (SAFGs on XSS were investigated. The amount of SAFGs was quantified using acid and alkali chemical titration methods, and the characteristics of virgin XSS were compared with treated ones by FT-IR spectroscopy. It was found that acid solutions can increase the concentration of SAFGs, while alkaline solutions reduce it. The XSS treated in 0.5 M HCl has the largest number of total acidic functional groups and phenolic hydroxyl groups. The shell extracted with 2 M acetic acid has the highest concentration of carboxyl. The SAFG contents were remarkably increased by treatments with ethanol and acetone, due to the outstanding enhancement of phenolic hydroxyl. These changes in the SAFGs of XSS brought about by treatments with various solutions could be a theoretical foundation for modifying this residue to create a new type of highly efficient absorbent material.

  3. The Effect of Nitrogen Surface Ligands on Propane Metathesis: Design and Characterizations of N-modified SBA15-Supported Schrock-type Tungsten Alkylidyne

    KAUST Repository

    Eid, Ahmed A.

    2014-04-01

    Catalysis, which is primarily a molecular phenomenon, is an important field of chemistry because it requires the chemical conversion of molecules into other molecules. It also has an effect on many fields, including, but not limited to, industry, environment and life Science[1]. Surface Organometallic Chemistry is an effective methodology for Catalysis as it imports the concept and mechanism of organometallic chemistry, to surface science and heterogeneous catalysis. So, it bridges the gap between homogenous and heterogeneous catalysis[1]. The aim of the present research work is to study the effect of Nitrogen surface ligands on the activity of Alkane, Propane in particular, metathesis. Our approach is based on the preparation of selectively well-defined group (VI) transition metal complexes supported onto mesoporous materials, SBA15 and bearing amido and/or imido ligands. We choose nitrogen ligands because, according to the literature, they showed in some cases better catalytic properties in homogenous catalysis in comparison with their oxygen counterparts[2]. The first section covers the modification of a highly dehydroxylated SBA15 surface using a controlled ammonia treatment. These will result in the preparation of two kind of Nitrogen surface ligands: -\\tOne with vicinal silylamine/silanol, (≡SiNH2)(≡SiOH), noted [N,O]SBA15 and, -\\tAnother\\tone\\twith\\tvicinal\\tbis-silylamine moieties (≡SiNH2)2, noted [N,N]SBA15[3]. The second section covers the reaction of Schrock type Tungsten Carbyne [W(≡C- tBu)(CH2-tBu)3] with those N-surface ligands and their characterizations by FT-IR, multiple quantum solid state NMR (1H, 13C), elemental analysis and gas phase analysis. The third section covers the generation of the active site, tungsten hydride species. Their performance toward propane metathesis reaction using the dynamic reactor technique PID compared toward previous well-known catalysts supported on silica oxide or mesoporous materials[4]. A fairly good

  4. Fluoride removal mechanism of bayerite/boehmite nanocomposites: roles of the surface hydroxyl groups and the nitrate anions.

    Science.gov (United States)

    Jia, Yong; Zhu, Bai-Sheng; Jin, Zhen; Sun, Bai; Luo, Tao; Yu, Xin-Yao; Kong, Ling-Tao; Liu, Jin-Huai

    2015-02-15

    Three-dimensional feather like bayerite/boehmite nanocomposites were synthesized by a facile one-pot hydrothermal method. The obtained nanocomposites were characterized by X-ray diffraction, field emission scanning electron microscopy, transmission electron microscopy, and nitrogen adsorption-desorption isotherms. The removal properties toward fluoride were investigated, including adsorption kinetics, adsorption isotherm, and influences of pH and coexisting anions. The maximal adsorption capacity was 56.80 mg g(-1) at pH 7.0, which is favorable compared to those reported in the literature using other adsorbents. The coexisting of sulfate and bicarbonate inhibited the fluoride removal especially at high concentrations. Furthermore, the removal mechanism was revealed by Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy. The results suggest that both of the surface hydroxyl groups and the nitrate anions were participated in the ion-exchange process.

  5. Surface modification of bacterial cellulose nanofibers for property enhancement of optically transparent composites: dependence on acetyl-group DS.

    Science.gov (United States)

    Ifuku, Shinsuke; Nogi, Masaya; Abe, Kentaro; Handa, Keishin; Nakatsubo, Fumiaki; Yano, Hiroyuki

    2007-06-01

    Bacterial cellulose (BC) nanofibers were acetylated to enhance the properties of optically transparent composites of acrylic resin reinforced with the nanofibers. A series of BC nanofibers acetylated from degree-of-substitution (DS) 0 to 1.76 were obtained. X-ray diffraction profiles indicated that acetylation proceeded from the surface to the core of BC nanofibers, and scanning electron microscopy images showed that the volume of nanofibers increases by the bulky acetyl group. Since acetylation decreased the refractive index of cellulose, regular transmittance of composites comprised of 63% BC nanofiber was improved, and deterioration at 580 nm because of fiber reinforcement was suppressed to only 3.4%. Acetylation of nanofibers changed their surface properties and reduced the moisture content of the composite to about one-third that of untreated composite, although excessive acetylation increased hygroscopicity. Furthermore, acetylation was found to reduce the coefficient of thermal expansion of a BC sheet from 3 x 10(-6) to below 1 x 10(-6) 1/K.

  6. Gas-phase formaldehyde adsorption isotherm studies on activated carbon: correlations of adsorption capacity to surface functional group density.

    Science.gov (United States)

    Carter, Ellison M; Katz, Lynn E; Speitel, Gerald E; Ramirez, David

    2011-08-01

    Formaldehyde (HCHO) adsorption isotherms were developed for the first time on three activated carbons representing one activated carbon fiber (ACF) cloth, one all-purpose granular activated carbon (GAC), and one GAC commercially promoted for gas-phase HCHO removal. The three activated carbons were evaluated for HCHO removal in the low-ppm(v) range and for water vapor adsorption from relative pressures of 0.1-0.9 at 26 °C where, according to the IUPAC isotherm classification system, the adsorption isotherms observed exhibited Type V behavior. A Type V adsorption isotherm model recently proposed by Qi and LeVan (Q-L) was selected to model the observed adsorption behavior because it reduces to a finite, nonzero limit at low partial pressures and it describes the entire range of adsorption considered in this study. The Q-L model was applied to a polar organic adsorbate to fit HCHO adsorption isotherms for the three activated carbons. The physical and chemical characteristics of the activated carbon surfaces were characterized using nitrogen adsorption isotherms, X-ray photoelectron spectroscopy (XPS), and Boehm titrations. At low concentrations, HCHO adsorption capacity was most strongly related to the density of basic surface functional groups (SFGs), while water vapor adsorption was most strongly influenced by the density of acidic SFGs.

  7. Theoretical study of γ-hexachlorocyclohexane and β-hexachlorocyclohexane isomers interaction with surface groups of activated carbon model.

    Science.gov (United States)

    Enriquez-Victorero, Carlos; Hernández-Valdés, Daniel; Montero-Alejo, Ana Lilian; Durimel, Axelle; Gaspard, Sarra; Jáuregui-Haza, Ulises

    2014-06-01

    Activated carbon (AC) is employed in drinking water purification without almost any knowledge about the adsorption mechanism of persistent organic pollutants (POPs) onto it. Hexachlorocyclohexane (HCH) is an organochlorinated contaminant present in water and soils of banana crops production zones of the Caribbean. The most relevant isomers of HCH are γ-HCH and β-HCH, both with great environmental persistence. A theoretical study of the influence of AC surface groups (SGs) on HCH adsorption is done in order to help to understand the process and may lead to improve the AC selection process. A simplified AC model consisting of naphthalene with a functional group was used to assess the influence of SGs over the adsorption process. The Multiple Minima Hypersurface (MMH) methodology was employed to study γ-HCH and β-HCH interactions with different AC SGs (hydroxyl and carboxyl) under different hydration and pH conditions. The results obtained showed that association of HCH with SGs preferentially occurs between the axial protons of HCH and SG's oxygen atom, and the most favorable interactions occurring with charged SGs. An increase in carboxylic SGs content is proposed to enhance HCH adsorption onto AC under neutral pH conditions. Finally, this work presents an inexpensive computer aided methodology for preselecting activated carbon SGs content for the removal of a given compound.

  8. Reinforcement of carboxyl groups in the surface of Corynebacterium glutamicum biomass for effective removal of basic dyes.

    Science.gov (United States)

    Won, Sung Wook; Vijayaraghavan, K; Mao, Juan; Kim, Sok; Yun, Yeoung-Sang

    2009-12-01

    The biomass of Corynebacterium glutamicum was treated with poly(amic acid) to improve the biosorption of Basic Blue 3 (BB3) from aqueous solution. The grafting of poly(amic acid) onto the biomass surface increased the density of the carboxyl groups. The UV-spectrum revealed that strong acidic (pH2) and basic conditions (pH11) resulted in the precipitation of BB3. Therefore, pH edge experiments were conducted only within the range 3-10; these results indicated that electrostatic attraction between carboxyl groups of C. glutamicum and BB3 dye cations was favored under alkaline conditions. From the Langmuir model, poly(amic acid)-modified biomass gave a maximum uptake of 173.6 mg/g at pH 9, compared to 52.8 mg/g by the raw biomass. The biosorption kinetics was found to be fast; with equilibrium attained within 10 min. The increase in the ionic strength strongly affected the uptake of BB3 for both forms of C. glutamicum.

  9. Adsorption of croconate dyes on TiO2 anatase (101) surface: A periodic DFT study to understand the binding of diketo groups

    Indian Academy of Sciences (India)

    Avinash L Puyad; Ch Ramesh Kumar; K Bhanuprakash

    2012-01-01

    The adsorption of model croconate dyes on the stoichiometric TiO2 anatase (101) surface has been studied by means of periodic density functional calculations to understand the adsorption of the diketo (-COCO-) groups. Past experimental and theoretical results have shown the strong binding ability of the acid group (-COOH) to the TiO2 surface but here the theoretical studies predicts the binding strength of the diketo group to be also significant and comparable with that of the -COOH group. This may cause a competitive binding between the keto groups and the acid groups on the TiO2 surface in the case of croconate dyes and cause a reduction in the efficiency of the DSSC.

  10. Surface structure determination of group 11 metals adsorbed on a rhenium(10 anti 10) surface by low-energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Messahel, Lyria

    2012-11-12

    This thesis deals with the computational surface determination of various long-range ordered phases formed by thin films of copper, silver, and gold adsorbed on the rhenium- (10 anti 10) surface. It is based upon LEED-I,V curves for these phases that were recorded in the course of detailed experimental investigations of the respective films carried out in our group (using techniques such as LEED, MEED, and TPD). In order to solve the intricate puzzle of surface structural analysis, the electron elastic scattering behaviour of the investigated coinage metal phases was calculated using the Erlangen TensErLEED program package. Thereby first a set of theoretical LEED-I,V curves is derived for a guessed reference structure. Subsequently its structural input parameters are varied in a trial-and-error procedure until optimal agreement between experiment and theory is attained. The (1 x 1) phases formed by the deposited metals were tackled first to establish an absolute coverage calibration and to elucidate the respective growth modes on the Re(10 anti 10) surface. In all three cases the (1 x 1) structure is developed best at a coverage {Theta}{sub Cu,Ag,Au}=2 ML=1 BL. Extension of the investigation to experimental I,V curves for higher Cu coverages revealed that this element continues to grow bilayerwise, thereby retaining the Re hcp morphology. Ag, in contrast to Cu and Au, happens not to grow as homogeneously, and the TPD data suggest that Ag films exhibit the so-called simultaneous-multilayer (SM) growth mode. The following analysis of the sub-bilayer coverage range shows that the three systems exhibit considerable differences. While Cu, having a negative lattice misfit compared to Re, shows no long-range ordered superstructures, Ag and Au with a similar positive misfit form a couple of such phases. Ag features both a (1 x 4) phase, stable at ambient temperatures, that upon heating transforms into a c(2 x 2) phase that only exists at elevated temperatures. The

  11. Polymethyl methacrylate-co-methacrylic acid coatings with controllable concentration of surface carboxyl groups: A novel approach in fabrication of polymeric platforms for potential bio-diagnostic devices

    Energy Technology Data Exchange (ETDEWEB)

    Hosseini, Samira; Ibrahim, Fatimah [Center for Innovation in Medical Engineering, Department of Biomedical Engineering, Faculty of Engineering, University of Malaya, Kuala Lumpur 50603 (Malaysia); Djordjevic, Ivan, E-mail: ivan.djordjevic@um.edu.my [Center for Innovation in Medical Engineering, Department of Biomedical Engineering, Faculty of Engineering, University of Malaya, Kuala Lumpur 50603 (Malaysia); Koole, Leo H. [Center for Innovation in Medical Engineering, Department of Biomedical Engineering, Faculty of Engineering, University of Malaya, Kuala Lumpur 50603 (Malaysia); Department of Biomedical Engineering, Faculty of Health. Medicine and Life Science, Maastricht University, PO Box 616, NL 6200 MD Maastricht (Netherlands)

    2014-05-01

    Highlights: • Synthesis and processing of PMMA-co-MAA spin-coatings on silicon wafers. • Surface chemistry and morphology as a function of tailored co-polymer structure. • Polymer coatings with controlled number of surface carboxyl groups. - Abstract: The generally accepted strategy in development of bio-diagnostic devices is to immobilize proteins on polymeric surfaces as a part of detection process for diseases and viruses through antibody/antigen coupling. In that perspective, polymer surface properties such as concentration of functional groups must be closely controlled in order to preserve the protein activity. In order to improve the surface characteristics of transparent polymethacrylate plastics that are used for diagnostic devices, we have developed an effective fabrication procedure of polymethylmetacrylate-co-metacrylic acid (PMMA-co-MAA) coatings with controlled number of surface carboxyl groups. The polymers were processed effectively with the spin-coating technique and the detailed control over surface properties is here by demonstrated through the variation of a single synthesis reaction parameter. The chemical structure of synthesized and processed co-polymers has been investigated with nuclear magnetic resonance spectroscopy (NMR) and matrix-assisted laser desorption time-of-flight mass spectrometry (MALDI-ToF-MS). The surface morphology of polymer coatings have been analyzed with atomic force microscopy (AFM) and scanning electron microscopy (SEM). We demonstrate that the surface morphology and the concentration of surface –COOH groups (determined with UV–vis surface titration) on the processed PMMA-co-MAA coatings can be precisely controlled by variation of initial molar ratio of reactants in the free-radical polymerization reaction. The wettability of developed polymer surfaces also varies with macromolecular structure.

  12. Non-contact atomic force microscopy study of hydroxyl groups on the spinel MgAl2O4(100) surface.

    Science.gov (United States)

    Federici Canova, F; Foster, A S; Rasmussen, M K; Meinander, K; Besenbacher, F; Lauritsen, J V

    2012-08-17

    Atom-resolved non-contact atomic force microscopy (NC-AFM) studies of the magnesium aluminate (MgAl(2)O(4)) surface have revealed that, contrary to expectations, the (100) surface is terminated by an aluminum and oxygen layer. Theoretical studies have suggested that hydrogen plays a strong role in stabilizing this surface through the formation of surface hydroxyl groups, but the previous studies did not discuss in depth the possible H configurations, the diffusion behaviour of hydrogen atoms and how the signature of adsorbed H is reflected in atom-resolved NC-AFM images. In this work, we combine first principles calculations with simulated and experimental NC-AFM images to investigate the role of hydrogen on the MgAl(2)O(4)(100) surface. By means of surface energy calculations based on density functional theory, we show that the presence of hydrogen adsorbed on the surface as hydroxyl groups is strongly predicted by surface stability considerations at all relevant partial pressures of H(2) and O(2). We then address the question of how such adsorbed hydrogen atoms are reflected in simulated NC-AFM images for the most stable surface hydroxyl groups, and compare with experimental atom-resolved NC-AFM data. In the appendices we provide details of the methods used to simulate NC-AFM using first principles methods and a virtual AFM.

  13. Ultra-thin films of polysilsesquioxanes possessing 3-methacryloxypropyl groups as gate insulator for organic field-effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Nakahara, Yoshio; Kawa, Haruna [Department of Applied Chemistry, Faculty of Systems Engineering, Wakayama University, 930 Sakae-dani, Wakayama 640-8510 (Japan); Yoshiki, Jun [Division of Information and Electronic Engineering, Faculty of Engineering, Muroran Institute of Technology, 27-1 Mizumoto-cho, Muroran 050-8585 (Japan); Kumei, Maki; Yamamoto, Hiroyuki; Oi, Fumio [Konishi Chemical IND. Co., LTD., 3-4-77 Kozaika, Wakayama 641-0007 (Japan); Yamakado, Hideo [Department of Applied Chemistry, Faculty of Systems Engineering, Wakayama University, 930 Sakae-dani, Wakayama 640-8510 (Japan); Fukuda, Hisashi [Division of Engineering for Composite Functions, Faculty of Engineering, Muroran Institute of Technology, 27-1 Mizumoto-cho, Muroran 050-8585 (Japan); Kimura, Keiichi, E-mail: kkimura@center.wakayama-u.ac.jp [Department of Applied Chemistry, Faculty of Systems Engineering, Wakayama University, 930 Sakae-dani, Wakayama 640-8510 (Japan)

    2012-10-01

    Polysilsesquioxanes (PSQs) possessing 3-methacryloxypropyl groups as an organic moiety of the side chain were synthesized by sol-gel condensation copolymerization of the corresponding trialkoxysilanes. The ultra-thin PSQ film with a radical initiator and a cross-linking agent was prepared by a spin-coating method, and the film was cured integrally at low temperatures of less than 120 Degree-Sign C through two different kinds of polymeric reactions, which were radical polymerization of vinyl groups and sol-gel condensation polymerization of terminated silanol and alkoxy groups. The obtained PSQ film showed the almost perfect solubilization resistance to acetone, which is a good solvent of PSQ before polymerization. It became clear by atomic force microscopy observation that the surface of the PSQ film was very smooth at a nano-meter level. Furthermore, pentacene-based organic field-effect transistor (OFET) with the PSQ film as a gate insulator showed typical p-channel enhancement mode operation characteristics and therefore the ultra-thin PSQ film has the potential to be applicable for solution-processed OFET systems. - Highlights: Black-Right-Pointing-Pointer Polysilsesquioxanes (PSQs) possessing 3-methacryloxypropyl groups were synthesized. Black-Right-Pointing-Pointer The ultra-thin PSQ film could be cured at low temperatures of less than 120 Degree-Sign C. Black-Right-Pointing-Pointer The PSQ film showed the almost perfect solubilization resistance to organic solvent. Black-Right-Pointing-Pointer The surface of the PSQ film was very smooth at a nano-meter level. Black-Right-Pointing-Pointer Pentacene-based organic field-effect transistor with the PSQ film was fabricated.

  14. Role of surface hydroxyl groups in promoting room temperature CO sensing by Pd-modified nanocrystalline SnO 2

    Science.gov (United States)

    Marikutsa, Artem V.; Rumyantseva, Marina N.; Yashina, Lada V.; Gaskov, Alexander M.

    2010-10-01

    SnO 2/Pd nanocomposites were synthesized via sol-gel method followed by variable processing procedures. The materials are sensitive to CO gas in the concentration range 2-100 ppm at room operating temperature. It was shown that modification of nanocrystalline tin dioxide by Pd changes the temperature dependence of sensor response, decreasing the temperature of maximal signal. To understand the mechanism of room temperature CO sensitivity, a number of SnO 2/Pd materials were characterized by XRD, TEM, BET, XPS and TPR techniques. From the results of FTIR, impedance and sensing measurements under variable ambient conditions it was concluded that improvement in CO sensitivity for Pd-modified SnO 2 is due to alteration of CO oxidation pathway. The reaction of CO with surface OH-groups at room temperature was proposed, the latter being more reactive than oxygen species due to the possible chain character of the reactions. It was proposed that Pd additive may initiate chain processes at room temperature.

  15. Holey graphene nanosheets with surface functional groups as high-performance supercapacitors in ionic-liquid electrolyte.

    Science.gov (United States)

    Yang, Cheng-Hsien; Huang, Po-Ling; Luo, Xu-Feng; Wang, Chueh-Han; Li, Chi; Wu, Yi-Hsuan; Chang, Jeng-Kuei

    2015-05-22

    Pores and surface functional groups are created on graphene nanosheets (GNSs) to improve supercapacitor properties in a butylmethylpyrrolidinium-dicyanamide (BMP-DCA) ionic liquid (IL) electrolyte. The GNS electrode exhibits an optimal capacitance of 330 F g(-1) and a satisfactory rate capability within a wide potential range of 3.3 V at 25 °C. Pseudocapacitive effects are confirmed using X-ray photoelectron spectroscopy. Under the same conditions, carbon nanotube and activated carbon electrodes show capacitances of 80 and 81 F g(-1) , respectively. Increasing the operation temperature increases the conductivity and decreases the viscosity of the IL electrolyte, further improving cell performance. At 60 °C, a symmetric-electrode GNS supercapacitor with the IL electrolyte is able to deliver maximum energy and power densities of 140 Wh kg(-1) and 52.5 kW kg(-1) (based on the active material on both electrodes), respectively, which are much higher than the 20 Wh kg(-1) and 17.8 kW kg(-1) obtained for a control cell with a conventional organic electrolyte.

  16. Selective hydrogenolysis of C-O bonds using the interaction of the catalyst surface and OH groups.

    Science.gov (United States)

    Tomishige, Keiichi; Nakagawa, Yoshinao; Tamura, Masazumi

    2014-01-01

    Hydrogenolysis of C-O bonds is becoming more and more important for the production of biomass-derived chemicals. Since substrates originated from biomass usually have high oxygen content and various kinds of C-O bonds, selective hydrogenolysis is required. Rhenium or molybdenum oxide modified rhodium and iridium metal catalysts (Rh-ReO(x), Rh-MoO(x), and Ir-ReO(x)) have been reported to be effective for selective hydrogenolysis. This review introduces the catalytic performance and reaction kinetics of Rh-ReO(x), Rh-MoO(x), and Ir-ReO(x) in the hydrogenolysis of various substrates, where selectivity is especially characteristic. Based the model structure of the catalysts and the reaction mechanism, the role of the oxide components is to make the interaction between the OH groups in the substrates and the catalyst surface, and the role of metal components is to dissociate hydrogen molecule heterolytically to give hydride and proton.

  17. The neural cell adhesion molecule L1 is distinct from the N-CAM related group of surface antigens BSP-2 and D2

    DEFF Research Database (Denmark)

    Faissner, A; Kruse, J; Goridis, C

    1984-01-01

    The neural cell adhesion molecule L1 and the group of N-CAM related molecules, BSP-2 and D2 antigen, are immunochemically distinct molecular species. The two groups of surface molecules are also functionally distinct entities, since inhibition of Ca2+-independent adhesion among early post...

  18. Tungsten(VI) Carbyne/Bis(carbene) Tautomerization Enabled by N-Donor SBA15 Surface Ligands: A Solid-State NMR and DFT Study

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa

    2016-08-11

    Designing supported well-defined bis(carbene) complexes remains a key challenge in heterogeneous catalysis. The reaction of W(CtBu)(CH(2)tBu)(3) with amine-modified mesoporous SBA15 silica, which has vicinal silanol/silylamine pairs [(SiOH)(SiNH2)], leads to [(SiNH2-)(SiO-)W(CHtBu)(CH(2)tBu)(2)] and [(SiNH2-)(SiO-)W(=CHtBu)(2)(CH(2)tBu). Variable temperature, H-1-H-1 2D double-quantum, H-1-C-13 HETCOR, and HETCOR with spin diffusion solid-state NMR spectroscopy demonstrate tautomerization between the alkyl alkylidyne and the bis(alkylidene) on the SBA15 surface. Such equilibrium is possible through the coordination of W to the surface [(Si-OH)(Si-NH2)] groups, which act as a [N,O] pincer ligand. DFT calculations provide a rationalization for the surface-complex tautomerization and support the experimental results. This direct observation of such a process shows the strong similarity between molecular mechanisms in homogeneous and heterogeneous catalysis. In propane metathesis (at 150 degrees C), the tungsten bis(carbene) tautomer is favorable, with a turnover number (TON) of 262. It is the highest TON among all the tungsten alkyl-supported catalysts.

  19. Multimode Surface Functional Group Determination: Combining Steady-State and Time-Resolved Fluorescence with X-ray Photoelectron Spectroscopy and Absorption Measurements for Absolute Quantification.

    Science.gov (United States)

    Fischer, Tobias; Dietrich, Paul M; Unger, Wolfgang E S; Rurack, Knut

    2016-01-19

    The quantitative determination of surface functional groups is approached in a straightforward laboratory-based method with high reliability. The application of a multimode BODIPY-type fluorescence, photometry, and X-ray photoelectron spectroscopy (XPS) label allows estimation of the labeling ratio, i.e., the ratio of functional groups carrying a label after reaction, from the elemental ratios of nitrogen and fluorine. The amount of label on the surface is quantified with UV/vis spectrophotometry based on the molar absorption coefficient as molecular property. The investigated surfaces with varying density are prepared by codeposition of 3-(aminopropyl)triethoxysilane (APTES) and cyanoethyltriethoxysilane (CETES) from vapor. These surfaces show high functional group densities that result in significant fluorescence quenching of surface-bound labels. Since alternative quantification of the label on the surface is available through XPS and photometry, a novel method to quantitatively account for fluorescence quenching based on fluorescence lifetime (τ) measurements is shown. Due to the complex distribution of τ on high-density surfaces, the stretched exponential (or Kohlrausch) function is required to determine representative mean lifetimes. The approach is extended to a commercial Rhodamine B isothiocyanate (RITC) label, clearly revealing the problems that arise from such charged labels used in conjunction with silane surfaces.

  20. Grafting of functionalized [Fe(III)(salten)] complexes to Au(111) surfaces via thiolate groups: surface spectroscopic characterization and comparison of different linker designs.

    Science.gov (United States)

    Jacob, Hanne; Kathirvel, Ketheeswari; Petersen, Finn; Strunskus, Thomas; Bannwarth, Alexander; Meyer, Sven; Tuczek, Felix

    2013-07-01

    Functionalization of surfaces with spin crossover complexes is an intensively studied topic. Starting from dinuclear iron(III)-salten complexes [Fe(salten)(pyS)]2(BPh4)2 and [Fe(thiotolylsalten)(NCS)]2 with disulfide-containing bridging ligands, corresponding mononuclear complexes [Fe(salten)(pyS)](+) and [Fe(thiotolylsalten)(NCS)] are covalently attached to Au(111) surfaces (pySH, pyridinethiol; salten, bis(3-salicylidene-aminopropyl)amine). The adsorbed monolayers are investigated by infrared reflection absorption spectroscopy (IRRAS) in combination with X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS). Comparison of the surface vibrational spectra with bulk data allows us to draw conclusions with respect to the geometry of the adsorbed complexes. An anomaly is observed in the spectra of the surface-adsorbed monolayer of [Fe(salten)(pyS)](+), which suggests that the salten ligand is partially decoordinated from the Fe(III) center and one of its phenolate arms binds to the Au(111) surface. For complex [Fe(thiotolylsalten)(NCS)] that is bound to the Au(111) surface via a thiolate-functionalized salten ligand, this anomaly is not observed, which indicates that the coordination sphere of the complex in the bulk is retained on the surface. The implications of these results with respect to the preparation of surface-adsorbed monolayers of functional transition-metal complexes are discussed.

  1. Probing Interaction Between Platinum Group Metal (PGM) and Non-PGM Support Through Surface Characterization and Device Performance

    Science.gov (United States)

    Saha, Shibely

    High cost and limited abundance of Platinum (Pt) have hindered effective commercialization of Proton Exchange Membrane Fuel Cell and Electrolyzer. Efforts have been undertaken to reduce precious group metal (PGM) requirement for these devices without compromising the activity of the catalyst by using transition metal carbides (TMC) as non-PGM support thanks to their similar electronic and geometric structures as Pt. In this work Mo2C was selected as non-PGM support and Pt was used as the PGM of interest. We hypothesize that the hollow nanotube morphology of Mo2C support combined with Pt nano particles deposited on it via atomic layer deposition (ALD) technique would allow increased interaction between them which may increase the activity of Pt and Mo2C as well as maximize the Pt active surface area. Specifically, a rotary ALD equipment was used to grow Pt particles from atomic level to 2--3 nanometers by simply adjusting number of ALD cycles in order to probe the interaction between the deposited Pt nanoparticles and Mo2C nanotube support. Interaction between the Pt and Mo2 C was analyzed via surface characterization and electrochemical characterization. Interaction between Pt and Mo2C arises due to the lattice mismatch between Pt and Mo2C as well as electron migration between them. Lattice spacing analysis using high resolution transmission electron microscopy (HRTEM) images, combined with Pt binding energy shift in XPS results, clearly showed strong bonding between Pt nanoparticles and the Mo2C nanotube support in all the resultant Pt/Mo2C samples. We postulate that this strong interaction is responsible for the significantly enhanced durability observed in our constant potential electrolysis (CPE) and accelerated degradation testing (ADT). Of the three samples from different ALD cycles (15, 50 and 100), Mo2C nanotubes modified by 50 (1.07 wt% Pt loading) and 100 cycles (4.4 wt% Pt) of Pt deposition, showed higher HER and HOR activity per Pt mass than commercial

  2. Vibrational spectra of trimethylsilanol. The problem of the assignment of the SiOH group frequencies.

    Science.gov (United States)

    Ignatyev, Igor S; Partal, F; López González, J J; Sundius, Tom

    2004-04-01

    The assignment of the SiOH group vibrations of trimethylsilanol, which is still controversial, is proposed. This assignment is based on theoretical B3LYP force field scaled using the constants of the (CH3)3Si group optimized to fit experimental vibrational frequencies of (CH3)3SiF and (CD3)3SiF molecules as well as the OH stretching scale factor from methanol. The ab initio force field defined in this way gives a good agreement of the theoretical vibrational frequencies of trimethylsilanol with the positions of IR and Raman bands observed in the gas phase. This force field predicts the greatest contribution of the delta SiOH coordinates to the vibration with frequency of 804 cm(-1). The elimination of the coupling of the SiOH deformation with methyl rocking modes by the normal coordinate treatment of (CD3)3SiOH gives 832 cm(-1) for silanol deformation which is in a good agreement with the 834 cm(-1) value proposed earlier for the bending mode of free silanol groups. The geometry and force field of the open chain H3SiOH trimer is computed to model the change of the delta SiOH frequencies upon formation of the hydrogen-bonded polymers. This model predicts a significant shift of SiOH bending frequencies to the 1000-1200 cm(-1) range while those of SiOD to the 800-850 cm(-1) range. These predictions allow us to ascribe the 1087 cm(-1) band observed in the IR spectrum of crystalline (CH3)3SiOH and the Raman 775 cm(-1) band of the liquid (CH3)3SiOD to deformations of the hydrogen-bonded silanol groups. Copyright 2003 Elsevier B.V.

  3. A New Insight into Neutrino Energy Loss by Electron Capture of Iron Group Nuclei in Magnetar Surfaces

    Science.gov (United States)

    Liu, Jing-Jing; Gu, Wei-Min

    2016-06-01

    Based on the relativistic mean-field effective interactions theory, and the Lai dong model, we discuss the influences of superstrong magnetic fields (SMFs) on electron Fermi energy, nuclear blinding energy, and single-particle level structure in magnetar surfaces. Using the Shell-Model Monte Carlo method and the Random Phase Approximation theory, we analyze the neutrino energy loss rates (NELRs) by electron capture for iron group nuclei in SMFs. First, when B 12 100, the NELRs decrease by more than three orders of magnitude (e.g., at T 9 = 15.53 for 52-61Fe, 55-60Co, and 56-63Ni). Second, for a certain value of magnetic field and temperature, the NELRs increase by more than four orders of magnitude when {ρ }7≤slant {10}3, but as the density increases (i.e., when {ρ }7\\gt {10}3), there is almost no influence on the density of NELRs. For the density around {ρ }7={10}2, there is an abrupt increase in NELRs when B 12 ≥ 103.5. Such jumps are an indication that the underlying shell structure has changed due to single-particle behavior by SMFs. Finally, we compare our NELRs with those of Fuller et al. (FFN) and Nabi & Klapdor-Kleingrothaus (NKK). For the case without SMFs, one finds that our rates for certain nuclei are close to about five orders of magnitude lower than FFN and NKK at relativistic low temperatures (e.g., T 9 = 1). However, at a relativistic high temperature (e.g., T 9 = 3), our results are in good agreement with NKK, but about one order of magnitude lower than FFN. For the case with SMFs, our NELRs for some iron group nuclei can be about five orders of magnitude higher than those of FFN and NKK. (Note that B 12, T 9, and ρ 7 are in units of 1012 G, 109 K, and {10}7 {{g}} {{cm}}-3, respectively.)

  4. [Contamination of polycyclic aromatic hydrocarbons in surface water in underground river of Dashiwei Tiankeng group in karst area, Guangxi].

    Science.gov (United States)

    Kong, Xiang-Sheng; Qi, Shi-Hua; Oramah, I T; Zhang, Yuan; He, Shi-Yi

    2011-04-01

    In order to understand the composition, sources and contamination characteristics of PAHs in water from underground river of Dashiwei Tiankeng group in typical karst area located in Leye County, Guangxi. The water samples were collected from different sections to analyze 16 priority polycyclic aromatic hydrocarbons using GC-MS. The results showed that concentration of Sigma PAHs (the total PAHs) in water ranges from 54.7 ng/L to 192.0 ng/L, with an average concentration of 102.3 ng/L. The predominant PAHs in water are 2-3 ring PAHs, accounting for 65.1% of PAHs. The distribution of PAHs in water sampled along the underground river indicates that the mean concentration of PAHs in upstream area is higher than that of downstream because of wastewater discharge. Meanwhile, the underground river has some adsorption effect to 4-6 ring PAHs. The concentration of Sigma PAHs at Dashiwei Tiankeng section increases 93.8% attribute to the release of PAHs coming from Karst environmental medium and/or atmospheric transmission in underground river system. However, the concentration of Sigma PAHs at the confluence section of the tributary of Dashiwei Tiankeng is 47.3% less than that of the first upstream section duo to dilution. The concentration of Sigma PAHs at Bailang outlet section is 128.3% and 17.8% higher than that of flow-in section and Dashiwei Tiankeng section respectively. The ratios of specific PAHs indicate that the PAH sources in Leye County and Dashiwei Tiankeng areas mainly come from both petroleum and its combustion. However, the petroleum origin comes from anthropogenic inputs in town and the natural inputs in Dashiwei Tiankeng. The PAH sources in rural areas are mainly originating from the combustion of grass, wood and coal. Comparison to other areas in the world, the Sigma PAHs residual levels in underground river water in Dashiwei Tiankeng group is at the low level. In six sections, concentrations of benzo[a]pyrene (BaP) in surface water exceed the state

  5. Biomembrane disruption by silica-core nanoparticles: effect of surface functional group measured using a tethered bilayer lipid membrane.

    Science.gov (United States)

    Liu, Ying; Zhang, Zhen; Zhang, Quanxuan; Baker, Gregory L; Worden, R Mark

    2014-01-01

    Engineered nanomaterials (ENM) have desirable properties that make them well suited for many commercial applications. However, a limited understanding of how ENM's properties influence their molecular interactions with biomembranes hampers efforts to design ENM that are both safe and effective. This paper describes the use of a tethered bilayer lipid membrane (tBLM) to characterize biomembrane disruption by functionalized silica-core nanoparticles. Electrochemical impedance spectroscopy was used to measure the time trajectory of tBLM resistance following nanoparticle exposure. Statistical analysis of parameters from an exponential resistance decay model was then used to quantify and analyze differences between the impedance profiles of nanoparticles that were unfunctionalized, amine-functionalized, or carboxyl-functionalized. All of the nanoparticles triggered a decrease in membrane resistance, indicating nanoparticle-induced disruption of the tBLM. Hierarchical clustering allowed the potency of nanoparticles for reducing tBLM resistance to be ranked in the order amine>carboxyl~bare silica. Dynamic light scattering analysis revealed that tBLM exposure triggered minor coalescence for bare and amine-functionalized silica nanoparticles but not for carboxyl-functionalized silica nanoparticles. These results indicate that the tBLM method can reproducibly characterize ENM-induced biomembrane disruption and can distinguish the BLM-disruption patterns of nanoparticles that are identical except for their surface functional groups. The method provides insight into mechanisms of molecular interaction involving biomembranes and is suitable for miniaturization and automation for high-throughput applications to help assess the health risk of nanomaterial exposure or identify ENM having a desired mode of interaction with biomembranes. © 2013. Published by Elsevier B.V. All rights reserved.

  6. Surface modification of silicone tubes by functional carboxyl and amine, but not peroxide groups followed by collagen immobilization improves endothelial cell stability and functionality.

    Science.gov (United States)

    Salehi-Nik, Nasim; Amoabediny, Ghassem; Shokrgozar, Mohammad Ali; Mottaghy, Khosrow; Klein-Nulend, Jenneke; Zandieh-Doulabi, Behrouz

    2015-03-02

    Surface modification by functional groups promotes endothelialization in biohybrid artificial lungs, but whether it affects endothelial cell stability under fluid shear stress, and the release of anti-thrombotic factors, e.g. nitric oxide (NO), is unknown. We aimed to test whether surface-modified silicone tubes containing different functional groups, but similar wettability, improve collagen immobilization, endothelialization, cell stability and cell-mediated NO-release. Peroxide, carboxyl, and amine-groups increased collagen immobilization (41-76%). Only amine-groups increased ultimate tensile strength (2-fold). Peroxide and amine enhanced (1.5-2.5 fold), but carboxyl-groups decreased (2.9-fold) endothelial cell number after 6 d. After collagen immobilization, cell numbers were enhanced by all group-modifications (2.8-3.8 fold). Cells were stable under 1 h-fluid shear stress on amine, but not carboxyl or peroxide-group-modified silicone (>50% cell detachment), while cells were also stable on carboxyl-group-modified silicone with immobilized collagen. NO-release was increased by peroxide and amine (1.1-1.7 fold), but decreased by carboxyl-group-modification (9.8-fold), while it increased by all group-modifications after collagen immobilization (1.8-2.8 fold). Only the amine-group-modification changed silicone stiffness and transparency. In conclusion, silicone-surface modification of blood-contacting parts of artificial lungs with carboxyl and amine, but not peroxide-groups followed by collagen immobilization allows the formation of a stable functional endothelial cell layer. Amine-group-modification seems undesirable since it affected silicone's physical properties.

  7. One-pot preparation of silica-supported hybrid immobilized metal affinity adsorbent with macroporous surface based on surface imprinting coating technique combined with polysaccharide incorporated sol--gel process.

    Science.gov (United States)

    Li, Feng; Li, Xue-Mei; Zhang, Shu-Sheng

    2006-10-06

    A simple and reliable one-pot approach using surface imprinting coating technique combined with polysaccharide incorporated sol-gel process was established to synthesize a new organic-inorganic hybrid matrix possessing macroporous surface and functional ligand. Using mesoporous silica gel being a support, immobilized metal affinity adsorbent with a macroporous shell/mesoporous core structure was obtained after metal ion loading. In the prepared matrix, covalently bonded coating and morphology manipulation on silica gel was achieved by using one-pot sol-gel process starting from an inorganic precursor, -glycidoxypropyltrimethoxysiloxane (GPTMS), and a functional biopolymer, chitosan (CS) at the atmosphere of imprinting polyethylene glycol (PEG). Self-hydrolysis of GPTMS, self-condensation, and co-condensation of silanol groups (Si-OH) from siloxane and silica gel surface, and in situ covalent cross-linking of CS created an orderly coating on silica gel surface. PEG extraction using hot ammonium hydroxide solution gave a chemically and mechanically stabilized pore structure and deactivated residual epoxy groups. The prepared matrix was characterized by using X-ray energy dispersion spectroscopy (EDX), scanning electron microscopy (SEM) and mercury intrusion porosimetry. The matrix possessed a high capacity for copper ion loading. Protein adsorption performance of the new immobilized metal affinity adsorbent was evaluated by batch adsorption and column chromatographic experiment using bovine serum albumin (BSA) as a simple model protein. Under the optimized coating conditions, the obtained macroporous surface resulted in a fast kinetics and high capability for protein adsorption, while the matrix non-charged with metal ions offered a low non-specific adsorption.

  8. Fundamental investigations of silane adhesion promoters on metal surfaces

    Science.gov (United States)

    Mishra, Sourabh

    1997-08-01

    samples were pre-oxidized in an attempt to increase the amount of oxides on the surface and thereby retain chlorosilane. Pre-oxidation converted Cusb2O to CuO. This did not change the behavior of chlorosilane and reduced the uptake of methoxysilane. Solution and surface reactions were suggested for both silanes. For methoxysilane, silanes or silanols directly hydrogen bonded to surface oxide or hydroxyl groups are proposed to be the primary species that lead to metal siloxanes. In the second part of the study, silylation of commercially pure Ti (cpTi) was investigated to determine the orientation of silanes on Ti and the utility of silanes as adhesion promoters on biomaterials. Amino-propyl-silanes with varying number of ethoxy groups were deposited using wet chemistry techniques. Polished cpTi surfaces had mainly TiOsb2, O-H groups, and hydrocarbonaceous impurities. Silylation led to the presence of Si-O groups. Trifunctional silanes produced thicker silane layers than monofunctional silanes. This was attributed to crosslinking between Si-O groups. The silanes were found to be bonded primarily in "amine up" configurations. Some silane groups were in "amine down" configuration in the case of monofunctional silane. The silane layers were found to be stable when exposed to toluene and were less stable when exposed to water. This was attributed to covalent linkage between the Si-O groups and the surface oxides. The compatibility of the silane layers for bio-adhesion was tested by immobilizing poly(ethylene glycol) PEG. The PEG layer was stable on silylated cpTi even after exposure to water, whereas PEG deposited on polished cpTi was washed away in water.

  9. PREPARATION OF POLYSTYRENE/SiO2 COMPOSITE NANOPARTICLES BEARING SULFONIC GROUPS ON THE SURFACE VIA EMULSION COPOLYMERIZATION USING A POLYMERIZABLE EMULSIFIER

    Institute of Scientific and Technical Information of China (English)

    Yi-zhang Chen; Zhao-xia Guo; Jian Yu; Mao-sheng Zhan

    2009-01-01

    Functionalized PS/SiO2 composite nanoparticles bearing sulfonic groups on the surface were successfully synthesized via emulsion copolymerization using a polymerizable emulsifier α olefin solfonate(AOS).As demonstrated by transmission electron microscopy and atomic force microscopy,well-defined core-shell PS/SiO2 composite nanoparticles with a diameter of 50 nm were obtained.Sulfonic groups introduced onto the surface of the composite nanoparticles were quantified by FTIR,and can be controlled to some extent via a two-stage procedure.

  10. Direct Estimation of the Surface Location of Immobilized Functional Groups for Concerted Catalysis Using a Probe Molecule.

    Science.gov (United States)

    Noda, Hiroto; Motokura, Ken; Wakabayashi, Yusuke; Sasaki, Kaori; Tajiri, Hiroo; Miyaji, Akimitsu; Yamaguchi, Sho; Baba, Toshihide

    2016-04-04

    The location of active sites during concerted catalysis by a metal complex and tertiary amine on a SiO2 surface is discussed based on the interaction between the functionalized SiO2 surface and a probe molecule, p-formyl phenylboronic acid. The interactions of the probe molecule with the surface functionalities, diamine ligand, and tertiary amine, were analyzed by FT-IR and solid-state (13)C and (11)B MAS NMR. For the catalyst exhibiting high 1,4-addition activity, the diamine ligand and tertiary amine base exist in closer proximity than in the catalyst with low activity.

  11. QMX: A versatile environment for hybrid calculations applied to the grafting of Al 2 Cl 3 Me 3 on a silica surface

    KAUST Repository

    Kerber, Torsten

    2013-01-23

    We present a new software to easily perform QM:MM and QM:QM\\' calculations called QMX. It follows the subtraction scheme and it is implemented in the Atomic Simulation Environment (ASE). Special attention is paid to couple molecular calculations with periodic boundaries approaches. QMX inherits the flexibility and versatility of the ASE package: any combination of methods namely force field, semiempirical, first principle, and ab initio, can be used as hybrid potential energy surface (PES). Its ease of use is demonstrated by considering the adsorption of Al2Cl3Me3 on silica surface and by combining different levels of theory (from standard DFT to MP2 calculations) for the so-called High Level cluster with standard PW91 density functional theory calculations for the Low Level environment. It is shown that the High Level cluster must contain the silanol group close to the aluminum atoms. The bridging adsorption is favored by 58 kJ mol-1 at the MP2:PW91 level with respect to the terminal position. Using large clusters at the MP2:PW91 level, it is shown that PW91 calculations are sufficient for structure optimization but that embedded methods are required for accurate energy profiles. © 2013 Wiley Periodicals, Inc.

  12. From mapping class groups to automorphism groups of free groups

    DEFF Research Database (Denmark)

    Wahl, Nathalie

    2005-01-01

    We show that the natural map from the mapping class groups of surfaces to the automorphism groups of free groups, induces an infinite loop map on the classifying spaces of the stable groups after plus construction. The proof uses automorphisms of free groups with boundaries which play the role...... of mapping class groups of surfaces with several boundary components....

  13. Thermal chemistry of copper acetamidinate atomic layer deposition precursors on silicon oxide surfaces studied by XPS

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Yunxi; Zaera, Francisco, E-mail: zaera@ucr.edu [Department of Chemistry, University of California, Riverside, California 92521 (United States)

    2016-01-15

    The thermal surface chemistry of copper(I)-N,N′-di-sec-butylacetamidinate, [Cu({sup s}Bu-amd)]{sub 2}, a metalorganic complex recently proposed for the chemical-based deposition of copper films, has been characterized on SiO{sub 2} films under ultrahigh vacuum conditions by x-ray photoelectron spectroscopy (XPS). Initial adsorption at cryogenic temperatures results in the oxidation of the copper centers with Cu 2p{sub 3/2} XPS binding energies close to those seen for a +2 oxidation state, an observation that the authors interpret as the result of the additional coordination of oxygen atoms from the surface to the Cu atoms of the molecular acetamidinate dimer. Either heating to 300 K or dosing the precursor directly at that temperature leads to the loss of one of its two ligands, presumably via hydrogenation/protonation with a hydrogen/proton from a silanol group, or following a similar reaction on a defect site. By approximately 500 K the Cu 2p{sub 3/2}, C 1s, and N 1s XPS data suggest that the remaining acetamidinate ligand is displaced from the copper center and bonds to the silicon oxide directly, after which temperatures above 900 K need to be reached to promote further (and only partial) decomposition of those organic moieties. It was also shown that the uptake of the Cu precursor is self-limiting at either 300 or 500 K, although the initial chemistry is somewhat different at the two temperatures, and that the nature of the substrate also defines reactivity, with the thin native silicon oxide layer always present on Si(100) surfaces being less reactive than thicker films grown by evaporation, presumably because of the lower density of surface nucleation sites.

  14. The neural cell adhesion molecule L1 is distinct from the N-CAM related group of surface antigens BSP-2 and D2

    DEFF Research Database (Denmark)

    Faissner, A; Kruse, J; Goridis, C

    1984-01-01

    The neural cell adhesion molecule L1 and the group of N-CAM related molecules, BSP-2 and D2 antigen, are immunochemically distinct molecular species. The two groups of surface molecules are also functionally distinct entities, since inhibition of Ca2+-independent adhesion among early post-natal m......-natal mouse cerebellar cells by Fab fragments of both antibodies are at least additive, when compared with equal concentrations of the individual antibodies....

  15. Adjusting the surface areal density of click-reactive azide groups by kinetic control of the azide substitution reaction on bromine-functional SAMs.

    Science.gov (United States)

    Zhang, Shuo; Maidenberg, Yanir; Luo, Kai; Koberstein, Jeffrey T

    2014-06-03

    Azide-alkyne click chemistry has emerged as an important and versatile means for tethering a wide variety of guest molecules to virtually any substrate. In many of these applications, it is important to exercise control over the areal density of surface functional groups to achieve a desired areal density of the tethered guest molecule of interest. We demonstrate herein that the areal density of surface azide groups on flat germanium surfaces and nanoparticle substrates (silica and iron oxide) can be controlled kinetically by appropriately timed quenching of the S(N)2 substitution reaction of bromo-alkane-silane monolayers induced by the addition of sodium azide. The kinetics of the azide substitution reaction on monolayers formed on flat Ge substrates, determined by attenuated total reflection infrared spectroscopy (ATR-IR), are found to be identical to those for monolayers formed on both silica and iron oxide nanoparticles, the latter determined by transmission infrared spectroscopy. To validate the method, the percentages of surface bromine groups converted to azide groups after various reaction times were measured by quenching the S(N)2 reaction followed by analysis with ATR-IR (for Ge) and thermogravimetric analysis (after a subsequent click reaction with an alkyne-terminal polymer) for the nanoparticle substrates. The conversions found after quenching agree well with those expected from the standard kinetic curves. The latter result suggests that the kinetic method for the control of azide group areal density is a versatile means for functionalizing substrates with a prescribed areal density of azide groups for subsequent click reactions, and that the method is universal for any substrate, flat or nanoparticle, that can be modified with bromo-alkane-silane monolayers. Regardless of the surface geometry, we find that the azide substitution reaction is complete within 2-3 h, in sharp contrast to previous reports that indicate times of 48-60 h required for

  16. AFM Study of Surface Nanobubbles on Binary Self-Assembled Monolayers on Ultraflat Gold with Identical Macroscopic Static Water Contact Angles and Different Terminal Functional Groups.

    Science.gov (United States)

    Song, Bo; Chen, Kun; Schmittel, Michael; Schönherr, Holger

    2016-11-01

    All experimental findings related to surface nanobubbles, such as their pronounced stability and the striking differences of macroscopic and apparent nanoscopic contact angles, need to be addressed in any theory or model of surface nanobubbles. In this work we critically test a recent explanation of surface nanobubble stability and their consequences and contrast this with previously proposed models. In particular, we elucidated the effect of surface chemical composition of well-controlled solid-aqueous interfaces of identical roughness and defect density on the apparent nanoscopic contact angles. Expanding on a previous atomic force microscopy (AFM) study on the systematic variation of the macroscopic wettability using binary self-assembled monolayers (SAMs) on ultraflat template stripped gold (TSG), we assessed here the effect of different surface chemical composition for macroscopically identical static water contact angles. SAMs on TSG with a constant macroscopic water contact angle of 81 ± 2° were obtained by coadsorption of a methyl-terminated thiol and a second thiol with different terminal functional groups, including hydroxy, amino, and carboxylic acid groups. In addition, surface nanobubbles formed by entrainment of air on SAMs of a bromoisobutyrate-terminated thiol were analyzed by AFM. Despite the widely differing surface potentials and different functionality, such as hydrogen bond acceptor or donor, and different dipole moments and polarizability, the nanoscopic contact angles (measured through the condensed phase and corrected for AFM tip broadening effects) were found to be 145 ± 10° for all surfaces. Hence, different chemical functionalities at identical macroscopic static water contact angle do not noticeably influence the apparent nanoscopic contact angle of surface nanobubbles. This universal contact angle is in agreement with recent models that rely on contact line pinning and the equilibrium of gas outflux due to the Laplace pressure and

  17. Surface modification of up-conversion luminescence material Na[Y0.57Yb0.39Er0.04]F4 with hydrosulfide group

    Institute of Scientific and Technical Information of China (English)

    Lili Cui; Huili Fan; Junping Xiao; Xiaowei Xu; Dong Su

    2008-01-01

    A new method was reported for surface modification of an up-conversion luminescence material with hydrosulfide group.The factors that may influence the surface modification, such as reaction time, amount of catalyzer and modifier, and reaction solvent,were investigated. The optimal conditions were that the reaction time, the quantity of the basic catalyzer, the quantity of modifier and the volume of reaction solvent were 40 min, 1.0, 1.0, and 40 mL, respectively. The results indicated that hydrosulfide group content modified on the surface of up-conversion luminescence material reached to 0.1430 mmol/g, and this modified up-conversion lumi-nescence material could be widely used in the study of structure of protein and the property of mieroenvironment.

  18. Electroless oxidation of diamond surfaces in ceric and ferricyanide solutions: An easy way to produce 'C-O' functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Simon, N., E-mail: nathalie.simon@uvsq.f [Institut Lavoisier de Versailles, UMR 8180, Universite de Versailles-St-Quentin en Yvelines, 45 avenue des Etats Unis, 78000 Versailles (France); Charrier, G.; Etcheberry, A. [Institut Lavoisier de Versailles, UMR 8180, Universite de Versailles-St-Quentin en Yvelines, 45 avenue des Etats Unis, 78000 Versailles (France)

    2010-08-01

    Despite many works are devoted to oxidation of diamond surfaces, it is still a challenge, to successfully produce well defined 'C-O' functions, particularly for functionalization purposes. In this paper we describe and compare, for the first time, the 'electroless' oxidation of as-deposited polycrystalline boron-doped diamond (BDD) films in ceric and ferricyanide solutions at room temperature. Both reactions efficiently generate oxygen functionalities on BDD surface. While a higher amount of 'C-O' moieties is produced with Ce{sup 4+} as oxidizing agent, the use of ferricyanide specie seems the most interesting to specifically generate hydroxyl groups. Additionally, this easy to perform oxidative method appears not damaging for diamond surfaces and adapted to conductive or non-conductive materials. The resulting surfaces were characterized using X-ray photoelectron spectroscopy, contact angle and capacitance-voltage analysis.

  19. Influence of Group-III-metal and Ag adsorption on the Ge growth on Si(111) and its vicinal surface

    Energy Technology Data Exchange (ETDEWEB)

    Speckmann, Moritz

    2011-12-15

    In the framework of this thesis the surfactant-mediated heteroepitaxial growth of Ge on different Si surfaces has been investigated by means of low-energy electron microscopy, low-energy electron diffraction, spot-profile analysing low-energy electron diffraction, X-ray standing waves, grazing-incidence X-ray diffraction, x-ray photoemission electron microscopy, X-ray photoemission spectroscopy, scanning tunneling microscopy, scanning electron microscopy, transmission electron microscopy, and density functional theory calculations. As surfactants gallium, indium, and silver were used. The adsorption of Ga or In on the intrinsically faceted Si(112) surface leads to a smoothing of the surface and the formation of (N x 1) reconstructions, where a mixture of building blocks of different sizes is always present. For both adsorbates the overall periodicity on the surface is strongly dependent on the deposition temperature and the coverage. For the experimental conditions chosen here, the periodicities are in the range of 5.2{<=}N{<=}6.5 and 3.4{<=}N{<=}3.7 for Ga and In, respectively. The (N x 1) unit cells of Ga/Si(112) and In/Si(112) are found to consist of adsorbate atoms on terrace and step-edge sites, forming two atomic chains along the [110] direction. In the Ga-induced structures two Ga-vacancies per unit cell (one in the terrace and one in the step-edge site) are found and a continuous vacancy line on the surface is formed. In the In/Si(112) structure only one vacancy per unit cell in the step-edge site exists and, thus, a continuous adsorbate chain on the terrace sites is present. The adsorption of Ga or In on Si(112) strongly influences the subsequent Ge growth. Ge deposition on the Ga-terminated Si(112) surface leads to the formation of Ge nanowires, which are elongated along the Ga chains and reach lengths of up to 2000 nm for a growth temperature of 600 C. On In-covered Si(112), both small dash-like Ge islands and triangularly shaped islands are found, where

  20. Preparation of phenyl group-functionalized magnetic mesoporous silica microspheres for fast extraction and analysis of acetaldehyde in mainstream cigarette smoke by gas chromatography-mass spectrometry.

    Science.gov (United States)

    Huang, Danni; Sha, Yunfei; Zheng, Saijing; Liu, Baizhan; Deng, Chunhui

    2013-10-15

    Acetaldehyde is regarded as a toxic mainstream cigarette smoke constituent, and measurement of acetaldehyde in complex real samples is difficult owing to its high volatility and reactivity. In this work, phenyl group-functionalized magnetic mesoporous microspheres were developed as the solid-phase extraction sorbents for enrichment and analysis of acetaldehyde in mainstream cigarette smoke. The functional magnetic microspheres were first synthesized through a facile one-pot co-condensation approach. The prepared nanomaterials possessed abundant silanol groups in the exterior surface and numerous phenyl groups in the interior pore-walls, as well as a large surface area (273.5m(2)/g), strong superparamagnetism and uniform mesopores (3.3 nm). Acetaldehyde in mainstream cigarette smoke was collected in water and derivatizated with O-2,3,4,5,6-(pentafluorobenzyl)hydroxylamine. The formed acetaldehyde oximes were extracted and enriched by the prepared adsorbents via π-π interactions and subsequently analyzed using GC-MS. Extraction conditions such as amounts of sorbents, eluting solvent, adsorption and desorption time were investigated and optimized to achieve the best efficiency. Method validations including linearity, recovery, repeatability, and limit of detection were also studied. It was found that the suggested methodology provided low detection limit of 0.04 mg/mL, good recovery of 88-92%, intra-day and inter-day RSD values of 4.5% and 10.1%, and linear range of 0.25-4 mg/mL (R(2)=0.999). The results indicated that the proposed method based on phenyl-functionalized magnetic mesoporous microspheres was rapid, efficient and convenient for the enrichment and analysis of acetaldehyde in tobacco.

  1. A group of Giardia lamblia variant-specific surface protein (VSP) genes with nearly identical 5' regions.

    Science.gov (United States)

    Yang, Y; Adam, R D

    1995-12-01

    The surfaces of Giardia lamblia trophozoites contain one of a set of variant-specific surface proteins. The genes encoding these proteins are highly conserved at the 3' terminus, but frequently demonstrate little similarity in the remainder of the coding region. This report describes a family of vsp genes highly similar to a repeat-containing vsp gene (vspC5) at the 5' coding and flanking regions, but which diverge abruptly from vspC5 in the first repeat and do not themselves contain full copies of the repeat. This observation suggests the possibility that recombination among different vsp genes may have played a role in development of the vsp gene repertoire.

  2. Binding of dengue virus particles and dengue proteins onto solid surfaces.

    Science.gov (United States)

    Pereira, Edla M A; Dario, Aline F; França, Rafael F O; Fonseca, Benedito A L; Petri, Denise F S

    2010-09-01

    The interaction between dengue virus particles (DENV), sedimentation hemagglutinin particles (SHA), dengue virus envelope protein (Eprot), and solid surfaces was investigated by means of ellipsometry and atomic force microscopy (AFM). The surfaces chosen are bare Si/SiO2 wafers and Si/SiO2 wafers covered with concanavalin A (ConA), jacalin (Jac), polystyrene (PS), or poly(styrene sulfonate) (PSS) films. Adsorption experiments at pH 7.2 and pH 3 onto all surfaces revealed that (i) adsorption of DENV particles took place only onto ConA under pH 7.2, because of specific recognition between glycans on DENV surface and ConA binding site; (ii) DENV particles did not attach to any of the surfaces at pH 3, suggesting the presence of positive charges on DENV surface at this pH, which repel the positively charged lectin surfaces; (iii) SHA particles are positively charged at pH 7.2 and pH 3 because they adhered to negatively charged surfaces at pH 7.2 and repelled positively charged layers at pH 3; and (iv) SHA particles carry polar groups on the surface because they attached to silanol surfaces at pH 3 and avoided hydrophobic PS films at pH 3 and pH 7.2. The adsorption behavior of Eprot at pH 7.2 revealed affinity for ConA>Jac>PSS>PS≈bare Si/SiO2 layers. These findings indicate that selectivity of the Eprot adsorption is higher when it is part of virus structure than when it is free in solution. The correlation between surface energy values determined by means of contact angle measurements and DENV, SHA, or Eprot adsorption behavior was used to understand the intermolecular forces at the interfaces. A direct correlation was not found because the contributions from surface energy were probably surpassed by specific contributions.

  3. Difference between Toxicities of Iron Oxide Magnetic Nanoparticles with Various Surface-Functional Groups against Human Normal Fibroblasts and Fibrosarcoma Cells

    Directory of Open Access Journals (Sweden)

    Jaewook Lee

    2013-10-01

    Full Text Available Recently, many nanomedical studies have been focused on magnetic nanoparticles (MNPs because MNPs possess attractive properties for potential uses in imaging, drug delivery, and theranostics. MNPs must have optimized size as well as functionalized surface for such applications. However, careful cytotoxicity and genotoxicity assessments to ensure the biocompatibility and biosafety of MNPs are essential. In this study, Fe3O4 MNPs of different sizes (approximately 10 and 100–150 nm were prepared with different functional groups, hydroxyl (–OH and amine (–NH2 groups, by coating their surfaces with tetraethyl orthosilicate (TEOS, 3-aminopropyltrimethoxysilane (APTMS or TEOS/APTMS. Differential cellular responses to those surface-functionalized MNPs were investigated in normal fibroblasts vs. fibrosarcoma cells. Following the characterization of MNP properties according to size, surface charge and functional groups, cellular responses to MNPs in normal fibroblasts and fibrosarcoma cells were determined by quantifying metabolic activity, membrane integrity, and DNA stability. While all MNPs induced just about 5% or less cytotoxicity and genotoxicity in fibrosarcoma cells at lower than 500 μg/mL, APTMS-coated MNPs resulted in greater than 10% toxicity against normal cells. Particularly, the genotoxicity of MNPs was dependent on their dose, size and surface charge, showing that positively charged (APTMS- or TEOS/APTMS-coated MNPs induced appreciable DNA aberrations irrespective of cell type. Resultantly, smaller and positively charged (APTMS-coated MNPs led to more severe toxicity in normal cells than their cancer counterparts. Although it was difficult to fully differentiate cellular responses to various MNPs between normal fibroblasts and their cancer counterparts, normal cells were shown to be more vulnerable to internalized MNPs than cancer cells. Our results suggest that functional groups and sizes of MNPs are critical determinants of degrees

  4. Effects of Surface Charge and Functional Groups on the Adsorption and Binding Forms of Cu and Cd on Roots of indica and japonica Rice Cultivars

    Directory of Open Access Journals (Sweden)

    Zhao-Dong Liu

    2017-08-01

    Full Text Available This work was designed to understand the mechanisms of adsorption of copper (Cu and cadmium (Cd on roots of indica and japonica varieties of rice. Six varieties each of indica and japonica rice were grown in hydroponics and the chemical properties of the root surface were analyzed, including surface charges and functional groups (-COO- groups as measured by the streaming potential and attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR. Binding forms of heavy metals adsorbed on rice roots were identified using sequential extraction methods. In rice roots exposed to Cu and Cd solutions, Cu existed mainly in both exchangeable and complexed forms, whereas Cd existed mainly in the exchangeable form. The amounts of exchangeable Cu and Cd and total adsorbed metal cations on the roots of indica varieties were significantly greater than those on the roots of japonica varieties, and the higher negative charges and the larger number of functional groups on the roots of indica varieties were responsible for their higher adsorption capacity and greater binding strength for Cu and Cd. Surface charge and functional groups on roots play an important role in the adsorption of Cu and Cd on the rice roots.

  5. Prevalence of hepatitis B surface antigen & its subtypes in high risk group subjects & voluntary blood donors in Bombay.

    Science.gov (United States)

    Elavia, A J; Banker, D D

    1991-09-01

    HBsAg positive subjects belonging to high risk groups and voluntary blood donors were analysed for prevalence of HBsAg among various groups of subjects for ascertaining the carrier status among the voluntary blood donors, HBsAg subtype distribution, and association of HBsAg with blood groups and caste or religion. The prevalence of HBsAg varied from 2.02 per cent in voluntary blood donors to 58.38 per cent in patients of acute viral hepatitis. 70.5 per cent subjects had subtype 'ay' while 23.9 per cent of the subjects had subtype 'ad'. We also found compound 'ady' subtype in 5.6 per cent of our subjects. HBsAg/adr, a subtype not usually prevalent in India, was found in 30 of the 90 'ad' sera. Co-occurrence of HBsAg and anti-HBs was noted in 9 subjects. Homotypic anti-HBs was found to occur together mainly in voluntary blood donors, while heterotypic anti-HBs was found to occur together mainly multi-transfused patients. There was no significant correlation between HBsAg and blood group antigens and a relatively higher incidence of HBsAg among the Jain community was observed.

  6. Why You Really Should Consider Using Palladium-Catalyzed Cross-Coupling of Silanols and Silanolates

    OpenAIRE

    Denmark, Scott E; Ambrosi, Andrea

    2015-01-01

    The transition metal-catalyzed cross-coupling of organometallic nucleophiles derived from tin, boron, and zinc with organic electrophiles enjoys a preeminent status among modern synthetic methods for the formation of carbon-carbon bonds. In recent years, organosilanes have emerged as viable alternatives to the conventional reagents, with the added benefits of low cost, low toxicity and high chemical stability. However, silicon-based cross-coupling reactions often require heating in the presen...

  7. Surface wave group velocity in the Osaka sedimentary basin, Japan, estimated using ambient noise cross-correlation functions

    Science.gov (United States)

    Asano, Kimiyuki; Iwata, Tomotaka; Sekiguchi, Haruko; Somei, Kazuhiro; Miyakoshi, Ken; Aoi, Shin; Kunugi, Takashi

    2017-08-01

    Inter-station cross-correlation functions estimated using continuous ambient noise or microtremor records were used to extract the seismic wave propagation characteristics of the Osaka sedimentary basin, Japan. Temporary continuous observations were conducted at 15 sites in the Osaka basin between 2011 and 2013. The data were analyzed using seismic interferometry. The target period range was 2-8 s. Cross-correlations between all of the possible station pairs were calculated and stacked to produce a year-long data set, and Rayleigh wave signals in the vertical and radial components and Love wave signals in the transverse component were identified from the results. Simulation of inter-station Green's functions using the finite difference method was conducted to check the performance of the current three-dimensional velocity structure model. The measured time lag between the observed and theoretical Green's functions was less than 2 s for most station pairs, which is less than the wave period of interest in the target frequency range. Group velocity tomography was applied to group delay times estimated by means of multiple filter analysis. The estimated group velocities for longer periods of 5-8 s exhibited spatial variation within the basin, which is consistent with the bedrock depth distribution; however, the group velocities for shorter periods of 2-3 s were almost constant over the studied area. The waveform and group velocity information obtained by seismic interferometry analysis can be useful for future reconstruction of a three-dimensional velocity structure model in the Osaka basin.[Figure not available: see fulltext.

  8. Influence of surface oxygenated groups on the formation of active Cu species and the catalytic activity of Cu/AC catalyst for the synthesis of dimethyl carbonate

    Science.gov (United States)

    Zhang, Guoqiang; Li, Zhong; Zheng, Huayan; Hao, Zhiqiang; Wang, Xia; Wang, Jiajun

    2016-12-01

    Activated carbon (AC) supported Cu catalysts are employed to study the influence of surface oxygenated groups on the formation of active Cu species and the catalytic activity of Cu/AC catalyst for oxidative carbonylation of methanol to dimethyl carbonate (DMC). The AC supports are thermal treated under different temperatures in order to adjust the levels of surface oxygenated groups. The AC supports are characterized by BET, TPD-MS and XRD, and the Cu/AC catalysts are characterized by BET, XRD, TEM, XPS, AAS, CH3OH-TPD and N2O chemisorption. The results show that as the treatment temperature is below 800 °C, the BET surface area of the corresponding AC supports are nearly unchanged and close to that of the original AC (1529.6 m2/g). But as the thermal treatment temperature is elevated from 1000 to 1600 °C, the BET surface area of AC supports gradually decreases from 1407.6 to 972.2 m2/g. After loading of Cu, the BET surface area of copper catalysts is in the range of 834.4 to 1545.3 m2/g, which is slightly less than that of the respective supports. When AC is thermal treated at 400 and 600 °C, the unstable carboxylic acid and anhydrides groups are selectively removed, which has weakened the mobility and agglomeration of Cu species during the calcination process, and thus improve the Cu species dispersion over AC support. But as the treatment temperature is elevated from 600 °C to 1200 °C, the Cu species dispersion begins to decline suggesting further removal of stable surface oxygenated groups is unfavorable for Cu species dispersion. Moreover, higher thermal treatment temperature (above 1200 °C) promotes the graphitization degree of AC and leds to the decrease of Cu loading on AC support. Meanwhile, the removal of surface oxygenated groups by thermal treatment is conducive to the formation of more π-sites, and thus promote the reduction of Cu2+ to Cu+ and Cu0 as active centers. The specific surface area of (Cu+ + Cu0) is improved by thermal treatment of AC

  9. Operable Unit 3-13, Group 3, Other Surface Soils Remediation Sets 4-6 (Phase II) Remedial Design/Remedial Action Work Plan

    Energy Technology Data Exchange (ETDEWEB)

    D. E. Shanklin

    2006-06-01

    This Remedial Design/Remedial Action Work Plan provides the framework for defining the remedial design requirements, preparing the design documentation, and defining the remedial actions for Waste Area Group 3, Operable Unit 3-13, Group 3, Other Surface Soils, Remediation Sets 4-6 (Phase II) located at the Idaho Nuclear Technology and Engineering Center at the Idaho National Laboratory. This plan details the design developed to support the remediation and disposal activities selected in the Final Operable Unit 3-13, Record of Decision.

  10. LANL Virtual Center for Chemical Hydrogen Storage: Chemical Hydrogen Storage Using Ultra-high Surface Area Main Group Materials

    Energy Technology Data Exchange (ETDEWEB)

    Susan M. Kauzlarich; Phillip P. Power; Doinita Neiner; Alex Pickering; Eric Rivard; Bobby Ellis, T. M.; Atkins, A. Merrill; R. Wolf; Julia Wang

    2010-09-05

    The focus of the project was to design and synthesize light element compounds and nanomaterials that will reversibly store molecular hydrogen for hydrogen storage materials. The primary targets investigated during the last year were amine and hydrogen terminated silicon (Si) nanoparticles, Si alloyed with lighter elements (carbon (C) and boron (B)) and boron nanoparticles. The large surface area of nanoparticles should facilitate a favorable weight to volume ratio, while the low molecular weight elements such as B, nitrogen (N), and Si exist in a variety of inexpensive and readily available precursors. Furthermore, small NPs of Si are nontoxic and non-corrosive. Insights gained from these studies will be applied toward the design and synthesis of hydrogen storage materials that meet the DOE 2010 hydrogen storage targets: cost, hydrogen capacity and reversibility. Two primary routes were explored for the production of nanoparticles smaller than 10 nm in diameter. The first was the reduction of the elemental halides to achieve nanomaterials with chloride surface termination that could subsequently be replaced with amine or hydrogen. The second was the reaction of alkali metal Si or Si alloys with ammonium halides to produce hydrogen capped nanomaterials. These materials were characterized via X-ray powder diffraction, TEM, FTIR, TG/DSC, and NMR spectroscopy.

  11. Characterization of the spore surface and exosporium proteins of Clostridium sporogenes; implications for Clostridium botulinum group I strains.

    Science.gov (United States)

    Janganan, Thamarai K; Mullin, Nic; Tzokov, Svetomir B; Stringer, Sandra; Fagan, Robert P; Hobbs, Jamie K; Moir, Anne; Bullough, Per A

    2016-10-01

    Clostridium sporogenes is a non-pathogenic close relative and surrogate for Group I (proteolytic) neurotoxin-producing Clostridium botulinum strains. The exosporium, the sac-like outermost layer of spores of these species, is likely to contribute to adhesion, dissemination, and virulence. A paracrystalline array, hairy nap, and several appendages were detected in the exosporium of C. sporogenes strain NCIMB 701792 by EM and AFM. The protein composition of purified exosporium was explored by LC-MS/MS of tryptic peptides from major individual SDS-PAGE-separated protein bands, and from bulk exosporium. Two high molecular weight protein bands both contained the same protein with a collagen-like repeat domain, the probable constituent of the hairy nap, as well as cysteine-rich proteins CsxA and CsxB. A third cysteine-rich protein (CsxC) was also identified. These three proteins are also encoded in C. botulinum Prevot 594, and homologues (75-100% amino acid identity) are encoded in many other Group I strains. This work provides the first insight into the likely composition and organization of the exosporium of Group I C. botulinum spores. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  12. The influence of surface oxygen and hydroxyl groups on the dehydrogenation of ethylene, acetic acid and hydrogenated vinyl acetate on pure Pd(1 0 0): A DFT study

    Science.gov (United States)

    Huang, Yanping; Dong, Xiuqin; Yu, Yingzhe; Zhang, Minhua

    2016-12-01

    On the basis of a Langmuir-Hinshelwood-type mechanism, the dehydrogenation of ethylene, acetic acid and hydrogenated vinyl acetate (VAH) on pure Pd(1 0 0) with surface oxygen atoms (Os) and hydroxyl groups (OHs) was studied with density functional theory (DFT) method. Our calculation results show that both Os and OHs can consistently reduce the activation energies of dehydrogenation of ethylene, acetic acid and VAH to some degree with only one exception that OHs somehow increase the activation energy of VAH. Based on Langmuir-Hinshelwood mechanism, the three dehydrogenation reactions in presence of surface Os and OHs are almost consistently favored, compared with the corresponding processes on clean Pd(1 0 0) surfaces, and thus a Langmuir-Hinshelwood-type mechanism may not be excluded beforehand when investigating the microscopic performance of the oxygen-assisted vinyl acetate synthesis on Pd(1 0 0) catalysts.

  13. GALEX observations of the UV surface brightness and color profiles of the Local Group elliptical galaxy M32 (NGC221)

    CERN Document Server

    De Paz, A G; Sohn, Y J; Lee, Y W; Seibert, M; Rich, R M; Bianchi, L; Barlow, T A; Byun, Y I; Donas, J; Forster, K; Friedman, P G; Heckman, T M; Jelinsky, P N; Malina, R F; Martin, D C; Milliard, B; Morrissey, P F; Neff, S G; Schiminovich, D; Siegmund, O H W; Small, T; Szalay, A S; Welsh, B Y; Wyder, T K

    2004-01-01

    M32, the compact elliptical-galaxy companion to the Andromeda spiral galaxy has been imaged by the Galaxy Evolution Explorer (GALEX) in two ultraviolet bands, centered at ~1500 (FUV) and 2300 Angstroms (NUV). The imaging data have been carefully decomposed so as to properly account for the complicated background contamination from the disk of M31. We have derived the surface brightness and color profiles finding a slightly positive color gradient of Delta(FUV-B)/Delta log(r)=+0.15+/-0.03 within one effective radius. Earlier data from the Ultraviolet Imaging Telescope suggested that M32 had an extremely large (negative) FUV-optical color gradient (Delta(FUV-B)/Delta log(r)<-2), inverted with respect to the majority of gradients seen in giant elliptical galaxies. Our new results show that, despite of its very low UV-upturn, M32 has similar UV properties to those observed in luminous elliptical galaxies.

  14. Tunable doping in PbS nanocrystal field-effect transistors using surface molecular dipoles

    Science.gov (United States)

    Nugraha, Mohamad I.; Matsui, Hiroyuki; Bisri, Satria Z.; Sytnyk, Mykhailo; Heiss, Wolfgang; Loi, Maria A.; Takeya, Jun

    2016-11-01

    We study the effect of self-assembled monolayer (SAM) treatment of the SiO2 dielectric on the electrical characteristics of PbS transistors. Using SAMs, we observe threshold voltage shifts in the electron transport, allowing us to tune the electrical properties of the devices depending on the SAM molecule used. Moreover, the use of a specific SAM improves the charge carrier mobility in the devices by a factor of three, which is attributed to the reduced interface traps due to passivated silanol on the SiO2 surface. These reduced traps confirm that the voltage shifts are not caused by the trap states induced by the SAMs.

  15. Catalysis by Design Using Surface Organometallic Nitrogen-Containing Fragments

    KAUST Repository

    Hamzaoui, Bilel

    2016-06-14

    The aim of this thesis is to explore the chemistry of well-defined silica-supported group 4 and group 5 complexes that contain one or more multiply-bonded nitrogen atoms. Such species have been recognized as crucial intermediates in many catalytic reactions (e.g. hydroaminoalkylation, olefin hydrogenation, imine metathesis…). The first chapter provided a bibliographic overview of the preparation and the reactivity of group 4 and 5 complexes towards hydroaminoalkylation and imine metathesis catalysis. The second chapter deals with the isolation and the characterization of a series of well-defined group 4 ƞ2-imine complexes surfaces species. 2D solid-state NMR (1H–13C HETCOR, Multiple Quantum) experiments have revealed consistently a unique structural rearrangement, viz azametallacycle occurring on the immobilized metal-amido ligands. Hydrogenolysis of the sole Zr-C bond in such species gives selectively a silica-supported zirconium monohydride that can perform the catalytic hydrogenation of olefins. The third chapter examines the mechanistic studies of the intermolecular hydroaminoalkylation using SOMC to identify the key metallacyclic surface intermediates (silica-supported three-membred and five-membered). The catalyst was regenerated by protonolysis and afforded pure amine. Catalytic testing of a selection of amine compounds with variable electronic properties was carried out. The fourth chapter deals with the generation and the characterization of well-defined silica-supported zirconium-imido complexes. The resulting species effectively catalyzes imine/imine cross-metathesis and thus considered as the first heterogeneous catalysts active for imine metathesis reaction. The fifth chapter studies the reaction of SBA15.1100 ºC with dry aniline and derivatives leading to opening strained siloxane bridges into acid-base paired functionalities (formation of N-phenylsilanamine-silanol pairs). This approach was successfully applied to the design of a series of

  16. Fast incorporation of primary amine group into polylactide surface for improving C₂C₁₂ cell proliferation using nitrogen-based atmospheric-pressure plasma jets.

    Science.gov (United States)

    Yang, Yi-Wei; Wu, Jane-Yii; Liu, Chih-Tung; Liao, Guo-Chun; Huang, Hsuan-Yu; Hsu, Ray-Quen; Chiang, Ming-Hung; Wu, Jong-Shinn

    2014-01-01

    In this article, we report the development of the fast incorporation of primary amine functional groups into a polylactide (PLA) surface using the post-discharge jet region of an atmospheric-pressure nitrogen-based dielectric barrier discharge (DBD). Plasma treatments were carried out in two sequential steps: (1) nitrogen with 0.1% oxygen addition, and (2) nitrogen with 5% ammonia addition. The analyses show that the concentration of N/C ratio, surface energy, contact angle, and surface roughness of the treated PLA surface can reach 19.1%, 70.5 mJ/m(2), 38° and 73.22 nm, respectively. In addition, the proposed two-step plasma treatment procedure can produce a PLA surface exhibiting almost the same C2C12 cell attachment and proliferation performance as that of the conventional gelatin coating method. Most importantly, the processing/preparation time is reduced from 13-15 h (gelatin coating method) to 5-15 min (two-step plasma treatment), which is very useful in practical applications.

  17. Quantitative Analysis of Surface-Immobilized Hydrazide Groups by Spectrophotometry%分光光度法测定固相表面酰肼活化基团

    Institute of Scientific and Technical Information of China (English)

    周雷激; 任志敏; 赵征寰

    2011-01-01

    建立了一种测定固相表面酰肼基团含量的方法.运用Fe(Ⅲ)-邻二氮菲显色体系,通过固相表面具有较强还原性的酰肼基团将Fe(Ⅲ)还原为Fe(Ⅱ),生成的Fe(Ⅱ)可与邻二氮菲生成稳定的桔红色络合物,从而利用分光光度法测定溶液体系吸光度来表征固相表面酰肼基团的含量.该方法在0~0.02 μmol/mL范围内呈良好线性关系,线性相关系数r=0.9975,检出限为5.4×10-4 μmol/mL.用该方法测出微珠固相表面酰肼基团的活化效率为72%.方法可以很好地应用于固相载体表面酰肼基团的测定.%A measurement approach of hydrazide groups on solid-phase surface by spectrophotometry was reported. By reducing Fe (Ⅲ ) to Fe (Ⅱ ) in solutions with microbead surface-conjugate hydrazide groups, a stable orange-red complex of Fe ( Ⅱ )-orthophenanthroline was formed. The content of hydrazide groups on the bead surface was then characterized by spectrophotometric measurement. This method has advantages of high sensitivity, simplicity and practicability. The linear range is from 0 to 0. 02 /μmol/mL with the linear correlation coefficient of 0. 9975 and detection limit of 5. 4×10-4μmol/mL (S/N = 3). In this method, 72% of the activation efficiency of the hydrazide groups activated on the carboxylated microbead surface was detected. It is promising to apply the approach to the quantitative assessment of hydrazide groups on various solid-phase surfaces.

  18. Surface composition and taxonomic classification of a group of near-Earth and Mars-crossing asteroids

    CERN Document Server

    Sanchez, Juan A; Reddy, Vishnu; Nathues, Andreas

    2013-01-01

    In the past, constraining the surface composition of near-Earth asteroids (NEAs) has been difficult due to the lack of high quality near-IR spectral data (0.7-2.5 microns) that contain mineralogically diagnostic absorption bands. Here we present visible (0.43-0.95 microns) and near-infrared (0.7-2.5 microns) spectra of nine NEAs and five Mars-crossing asteroids (MCs). The studied NEAs are: 4055 Magellan, 19764 (2000 NF5), 89830 (2002 CE), 138404 (2000 HA24), 143381 (2003 BC21), 159609 (2002 AQ3), 164121 (2003 YT1), 241662 (2000 KO44) and 2007 ML13. The studied MCs are: 1656 Suomi, 2577 Litva, 5407 (1992 AX), 22449 Ottijeff and 47035 (1998 WS). The observations were conducted with the NTT at La Silla, Chile, the 2.2 m telescope at Calar Alto, Spain, and the IRTF on Mauna Kea, Hawai'i. The taxonomic classification (Bus system) of asteroids showed that all observed MC asteroids belong to the S-complex, including the S, Sr and Sl classes. Seven of the NEAs belong to the S-complex, including the S, Sa, Sk and Sl c...

  19. Surface-pressure Distributions on a Systematic Group of NACA 1-series Cowlings with and Without Spinners

    Science.gov (United States)

    Boswinkle, Robert W JR; Keith, Arvid L JR

    1948-01-01

    A method for calculating the flow fields of axially symmetric bodies from their pressure distributions is reported in NACA RM No. L8I17. In order to facilitate application of this method to the important case of the cowling-spinner combination, for use in the design of propellers, the present paper presents static-pressure distributions on the tops of 79 high-critical-speed NACA 1-series cowling-spinner combinations over wide ranges of inlet-velocity ratio at angles of attack of 0 degrees, 2 degrees, 4 degrees, and 6 degrees. Static-pressure distributions around the nose sections of several cowlings are given in greater detail to aid in estimating the pressures near the stagnation points and to show the effect of changes in the internal lip shape. The effects of the operation of a typical propeller on the surface pressures on the cowling are shown for one configuration. The pressure distributions over the nine NACA 1-series nose inlets used as the basic components of these combinations are also presented ro supplement the existing open-nose-cowling data of NACA ACR No. L5F30a which are applicable to the case of the rotating cowling.

  20. Preparation and surface active properties of oxypropylated diol monoesters of fatty acids with an amide oxime terminal group

    Directory of Open Access Journals (Sweden)

    Eissa, A. M.F.

    1994-10-01

    Full Text Available Locally produced non-edible oil, namely, rice bran oil (R.B.O. was utilized as starting materials for preparing new nonionic surfactant. Oxypropylated diol monoesters of linoleic and rice bran oil fatty acids were prepared. Also amide oxime derivatives were obtained. Surface active properties of these compounds were measured. Under neutral condition amide eximes served as nonionic surfactants and their properties were similar to other oxypropylated monoesters.

    Se ha utilizado un aceite no comestible de producción local, denominado, aceite de salvado de arroz (R.B.O. como materia prima para la preparación de nuevos tensioactivos no iónicos. Se prepararon diol monoésteres oxipropilados de ácido linoleico y ácidos grasos de aceite de salvado de arroz. También se obtuvieron los derivados de amido oxima. Se midieron las propiedades de tensión superficial de estos compuestos. Bajo condiciones neutras las amido eximas sirvieron como tensioactivos no iónicos y sus propiedades fueron similares a los de otros monoésteres oxipropilados.

  1. Involvement of functional groups on the surface of carboxyl group-terminated polyamidoamine dendrimers bearing arbutin in inhibition of Na⁺/glucose cotransporter 1 (SGLT1)-mediated D-glucose uptake.

    Science.gov (United States)

    Sakuma, Shinji; Kanamitsu, Shun; Teraoka, Yumi; Masaoka, Yoshie; Kataoka, Makoto; Yamashita, Shinji; Shirasaka, Yoshiyuki; Tamai, Ikumi; Muraoka, Masahiro; Nakatsuji, Yohji; Kida, Toshiyuki; Akashi, Mitsuru

    2012-04-01

    A carboxyl group-terminated polyamidoamine dendrimer (generation: 3.0) bearing arbutin, which is a substrate of Na⁺/glucose cotransporter 1 (SGLT1), via a nonbiodegradable ω-amino triethylene glycol linker (PAMAM-ARB), inhibits SGLT1-mediated D-glucose uptake, as does phloridzin, which is a typical SGLT1 inhibitor. Here, since our previous research revealed that the activity of arbutin was dramatically improved through conjugation with the dendrimer, we examined the involvement of functional groups on the dendrimer surface in inhibition of SGLT1-mediated D-glucose uptake. PAMAM-ARB, with a 6.25% arbutin content, inhibited in vitro D-glucose uptake most strongly; the inhibitory effect decreased as the arbutin content increased. In vitro experiments using arbutin-free original dendrimers indicated that dendrimer-derived carboxyl groups actively participated in SGLT1 inhibition. However, the inhibitory effect was much less than that of PAMAM-ARB and was equal to that of glucose moiety-free PAMAM-ARB. Data supported that the glucose moiety of arbutin was essential for the high activity of PAMAM-ARB in SGLT1 inhibition. Analysis of the balance of each domain further suggested that carboxyl groups anchored PAMAM-ARB to SGLT1, and the subsequent binding of arbutin-derived glucose moieties to the target sites on SGLT1 resulted in strong inhibition of SGLT1-mediated D-glucose uptake.

  2. Ectomycorrhizal Influence on Particle Size, Surface Structure, Mineral Crystallinity, Functional Groups, and Elemental Composition of Soil Colloids from Different Soil Origins

    Directory of Open Access Journals (Sweden)

    Yanhong Li

    2013-01-01

    Full Text Available Limited data are available on the ectomycorrhizae-induced changes in surface structure and composition of soil colloids, the most active portion in soil matrix, although such data may benefit the understanding of mycorrhizal-aided soil improvements. By using ectomycorrhizae (Gomphidius viscidus and soil colloids from dark brown forest soil (a good loam and saline-alkali soil (heavily degraded soil, we tried to approach the changes here. For the good loam either from the surface or deep soils, the fungus treatment induced physical absorption of covering materials on colloid surface with nonsignificant increases in soil particle size (P>0.05. These increased the amount of variable functional groups (O–H stretching and bending, C–H stretching, C=O stretching, etc. by 3–26% and the crystallinity of variable soil minerals (kaolinite, hydromica, and quartz by 40–300%. However, the fungus treatment of saline-alkali soil obviously differed from the dark brown forest soil. There were 12–35% decreases in most functional groups, 15–55% decreases in crystallinity of most soil minerals but general increases in their grain size, and significant increases in soil particle size (P<0.05. These different responses sharply decreased element ratios (C : O, C : N, and C : Si in soil colloids from saline-alkali soil, moving them close to those of the good loam of dark brown forest soil.

  3. Shielding membrane surface carboxyl groups by covalent-binding graphene oxide to improve anti-fouling property and the simultaneous promotion of flux.

    Science.gov (United States)

    Han, Jing-Long; Xia, Xue; Tao, Yu; Yun, Hui; Hou, Ya-Nan; Zhao, Chang-Wei; Luo, Qin; Cheng, Hao-Yi; Wang, Ai-Jie

    2016-10-01

    Graphene oxide (GO) is an excellent material for membrane surface modification. However, little is known about how and to what extent surface functional groups change after GO modification influence membrane anti-fouling properties. Carboxyl is an inherent functional group on polyamide or other similar membranes. Multivalent cations in wastewater secondary effluent can bridge with carboxyls on membrane surfaces and organic foulants, resulting in serious membrane fouling. In this study, carboxyls of a polydopamine (pDA)/1,3,5-benzenetricarbonyl trichloride (TMC) active layer are shielded by covalently-bound GO. The process is mediated by N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide (EDC)/N-hydroxysuccinimide (NHS). For GO containing low quantities of carboxyls, X-ray photoelectron spectroscopy (XPS) and zeta potential analyzer test results reveal that the carboxyl density decreased by 52.3% compare to the pDA/TMC membrane after GO modification. Fouling experiments shows that the flux only slightly declines in the GO functionalized membrane (19.0%), compared with the pDA/TMC membrane (36.0%) after fouling. In addition, during GO modification process the pDA/TMC active layer also become harder and thinner with the aid of EDC/NHS. So the pure water permeability increases from 56.3 ± 18.2 to 103.7 ± 12.0 LMH/MPa. Our results provide new insights for membrane modification work in water treatment and other related fields.

  4. Ectomycorrhizal influence on particle size, surface structure, mineral crystallinity, functional groups, and elemental composition of soil colloids from different soil origins.

    Science.gov (United States)

    Li, Yanhong; Wang, Huimei; Wang, Wenjie; Yang, Lei; Zu, Yuangang

    2013-01-01

    Limited data are available on the ectomycorrhizae-induced changes in surface structure and composition of soil colloids, the most active portion in soil matrix, although such data may benefit the understanding of mycorrhizal-aided soil improvements. By using ectomycorrhizae (Gomphidius viscidus) and soil colloids from dark brown forest soil (a good loam) and saline-alkali soil (heavily degraded soil), we tried to approach the changes here. For the good loam either from the surface or deep soils, the fungus treatment induced physical absorption of covering materials on colloid surface with nonsignificant increases in soil particle size (P > 0.05). These increased the amount of variable functional groups (O-H stretching and bending, C-H stretching, C=O stretching, etc.) by 3-26% and the crystallinity of variable soil minerals (kaolinite, hydromica, and quartz) by 40-300%. However, the fungus treatment of saline-alkali soil obviously differed from the dark brown forest soil. There were 12-35% decreases in most functional groups, 15-55% decreases in crystallinity of most soil minerals but general increases in their grain size, and significant increases in soil particle size (P soil colloids from saline-alkali soil, moving them close to those of the good loam of dark brown forest soil.

  5. Acid-base titrations of functional groups on the surface of the thermophilic bacterium Anoxybacillus flavithermus: comparing a chemical equilibrium model with ATR-IR spectroscopic data.

    Science.gov (United States)

    Heinrich, Hannah T M; Bremer, Phil J; Daughney, Christopher J; McQuillan, A James

    2007-02-27

    Acid-base functional groups at the surface of Anoxybacillus flavithermus (AF) were assigned from the modeling of batch titration data of bacterial suspensions and compared with those determined from in situ infrared spectroscopic titration analysis. The computer program FITMOD was used to generate a two-site Donnan model (site 1: pKa = 3.26, wet concn = 2.46 x 10(-4) mol g(-1); site 2: pKa = 6.12, wet concn = 6.55 x 10(-5) mol g(-1)), which was able to describe data for whole exponential phase cells from both batch acid-base titrations at 0.01 M ionic strength and electrophoretic mobility measurements over a range of different pH values and ionic strengths. In agreement with information on the composition of bacterial cell walls and a considerable body of modeling literature, site 1 of the model was assigned to carboxyl groups, and site 2 was assigned to amino groups. pH difference IR spectra acquired by in situ attenuated total reflection infrared (ATR-IR) spectroscopy confirmed the presence of carboxyl groups. The spectra appear to show a carboxyl pKa in the 3.3-4.0 range. Further peaks were assigned to phosphodiester groups, which deprotonated at slightly lower pH. The presence of amino groups could not be confirmed or discounted by IR spectroscopy, but a positively charged group corresponding to site 2 was implicated by electrophoretic mobility data. Carboxyl group speciation over a pH range of 2.3-10.3 at two different ionic strengths was further compared to modeling predictions. While model predictions were strongly influenced by the ionic strength change, pH difference IR data showed no significant change. This meant that modeling predictions agreed reasonably well with the IR data for 0.5 M ionic strength but not for 0.01 M ionic strength.

  6. Mesoporous silica containing ≡Si(CH2)3NHC(S)NHC2H5 functional groups in the surface layer.

    Science.gov (United States)

    Nazarchuk, Galyna I; Melnyk, Inna V; Zub, Yuriy L; Makridina, Olga I; Vezentsev, Alexandr I

    2013-01-01

    One-step synthesis technique of mesoporous SBA-15 type silica with thiourea ≡Si(CH(2))(3)NHC(S)NHC(2)H(5) groups in the surface layer was developed. According to elemental analysis, the content of surface groups is 1.25 mmol/g, which is consistent with TGA data. FT-IR spectra of the obtained sample contain characteristic absorption bands of thiourea groups (-NH-C(S)-NH-), as well as polysiloxane network (SiOSi). The synthesized sample was studied by XRD, TEM, SEM, and adsorption method. It was demonstrated that the sample features porous microspheres ~0.5 μm with well-ordered internal spatial structure of the hexagonal lattice type due to the usage of template P123 during synthesis. According to XRD and TEM, the diameter of pores is 4.2-5 nm and the wall thickness between them is 2.6 nm. These data are consistent with the structural-adsorption characteristics calculated from nitrogen adsorption-desorption isotherms: S(sp.)=510 m(2)/g, V(s)=0.47 cm(3)/g, and d=4.3 nm. Equilibrium is established within 60 min during sorption of silver(І) and mercury(ІІ) ions from acidified aqueous solutions for this sample, and with the complexes are formed 1.1/1 for Ag(+) and 0.8/1 for Hg(2+) at metal/ligand ratio.

  7. Stabilization of organometal halide perovskite films by SnO2 coating with inactive surface hydroxyl groups on ZnO nanorods

    Science.gov (United States)

    Wang, Peng; Zhao, Jinjin; Liu, Jinxi; Wei, Liyu; Liu, Zhenghao; Guan, Lihao; Cao, Guozhong

    2017-01-01

    Perovskite solar cells have advanced rapid in the last few years, however the thermal instability of perovskite film on ZnO nanorods (NRs) remains a big challenge limiting its commercialization. The present work demonstrated effective suppression of the decomposition of CH3NH3PbI3 perovskite through inserting a thin tin oxide (SnO2) passivation layer between ZnO NRs and perovskite films. Although X-ray photoelectron spectroscopy (XPS) results showed no distinct difference in the amount of hydroxyl groups and oxygen vacancies on the surface of ZnO NRs and ZnO@SnO2 NRs, Raman spectra suggested the hydroxyl groups might be trapped in oxygen vacancies on SnO2 surface, preventing the decomposition of CH3NH3PbI3 perovskite through reacting with the hydroxyl groups. The power conversion efficiency of perovskite solar cells was significantly increased from 6.92% to 12.17% and became hysteresis-free by applying SnO2 passivating layer between perovskite and ZnO layers.

  8. Estimated 2012 groundwater potentiometric surface and drawdown from predevelopment to 2012 in the Santa Fe Group aquifer system in the Albuquerque metropolitan area, central New Mexico

    Science.gov (United States)

    Powell, Rachel I.; McKean, Sarah E.

    2014-01-01

    Historically, the water-supply requirements of the Albuquerque metropolitan area of central New Mexico were met almost exclusively by groundwater withdrawal from the Santa Fe Group aquifer system. In response to water-level declines, the Albuquerque Bernalillo County Water Utility Authority (ABCWUA) began diverting water from the San Juan-Chama Drinking Water Project in December 2008 to reduce the use of groundwater to meet municipal demand. Modifications in the demand for water and the source of the supply of water for the Albuquerque metropolitan area have resulted in a variable response in the potentiometric surface of the production zone (the interval of the aquifer, from within about 200 feet below the water table to 900 feet or more, in which supply wells generally are screened) of the Santa Fe Group aquifer system. Analysis of the magnitude and spatial distribution of water-level change can help improve the understanding of how the groundwater system responds to withdrawals and variations in the management of the water supply and can support water-management agencies’ efforts to minimize future water-level declines and improve sustainability. The U.S. Geological Survey (USGS), in cooperation with the ABCWUA, has developed an estimate of the 2012 potentiometric surface of the production zone of the Santa Fe Group aquifer system in the Albuquerque metropolitan area. This potentiometric surface is the latest in a series of reports depicting the potentiometric surface of the area. This report presents the estimated potentiometric surface during winter (from December to March) of water year 2012 and the estimated changes in potentiometric surface between predevelopment (pre-1961) and water year 2012 for the production zone of the Santa Fe Group aquifer system in the Albuquerque metropolitan area. Hydrographs from selected piezometers are included to provide details of historical water-level changes. In general, water-level measurements used for this report were

  9. Genetic Variations in the Human G Protein-coupled Receptor Class C, Group 6, Member A (GPRC6A) Control Cell Surface Expression and Function

    DEFF Research Database (Denmark)

    Jorgensen, Stine; Have, Christian Theil; Underwood, Christina Rye

    2017-01-01

    -expressed and functional. By analyses of chimeric human/mouse and human/bonobo receptors, bonobo receptor mutants, and the single nucleotide polymorphism database at NCBI, we identify an insertion/deletion variation in the third intracellular loop responsible for the intracellular retention and lack of function...... of the human ortholog. Genetic analyses of the 1000 genome database and the Inter99 cohort of 6,000 Danes establish the distribution of genotypes among ethnic groups, showing that the cell surface-expressed and functional variant is much more prevalent in the African population than in European and Asian...... populations and that this variant is partly linked with a stop codon early in the receptor sequence (rs6907580, amino acid position 57). In conclusion, our data solve a more than decade-old question of why the cloned human GPRC6A receptor is not cell surface-expressed and functional and provide a genetic...

  10. Surface radiological investigation of Trench 5 in Waste Area Grouping 7 at Oak Ridge National Laboratory, Oak Ridge, Tennessee. Environmental Restoration Program

    Energy Technology Data Exchange (ETDEWEB)

    Goff, D.D.

    1991-08-01

    A surface radiological investigation of areas encompassing Trench 5 on the Oak Ridge Reservation (ORR) was conducted from May 1990 through November 1990. This survey was led by the author, assisted by various members of the Measurement Applications and Development (MAD) group of the Health and Safety Research Division (HASRD) of Oak Ridge National Laboratory (ORNL) in Oak Ridge, Tennessee. The purpose of the investigation was to determine the presence, nature, and extent of surface radiological contamination at Trench 5, the Homogeneous Reactor Experiment fuel wells, and surrounding areas. Based on the data obtained in the field, interim corrective measures were recommended to limit human exposure to radioactivity and to minimize insult to the environment. It should be stressed that this project was not intended to be a complete site characterization but rather to be a preliminary investigation into the potential contamination problem that might exist as a result of past operations at Trench 5.

  11. Peptide bond formation of alanine on silica and alumina surfaces as a catalyst

    Science.gov (United States)

    Sánchez Arenillas, M.; Mateo-Martí, E.

    2012-09-01

    Polymerization of amino acids has been important for the origin of life because the peptides may have been the first self-replicating systems. The amino acid concentrations in the oceans may have been too diluted in the early phases of the Earth. The formation of the biopolymers could have been due to the catalytic action of various minerals (such as silica or alumina). Our work is based on the comparison between alumina and silica minerals with and without prior activation of their silanol groups for the formation of peptide bonds using alanina like amino acid which it is the simplest quiral amino acid.

  12. Surface plasmon resonance analysis to evaluate the importance of heparin sulfate groups' binding with human aFGF and bFGF

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Human acidic and basic fibroblast growth factors (aFGF and bFGF) are classic and well characterized members of the heparin-binding growth factor family. Heparin is generally thought to play an extremely important role in regulating aFGF and bFGF bioactivities through its strong binding with them. In order to unravel the mechanism of the interactions between heparin and FGFs, and evaluate the importance of heparin sulfate groups' binding with FGFs, surface plasmon resonance analyses were performed using IAsys Cuvettes System. Heparin and its regioselectively desulfated derivatives were immobilized on the cuvettes. aFGF and bFGF solutions with different concentrations were pipetted into the cuvettes and the progress of the interaction was monitored in real-time by Windows-based software, yielding kinetic and equilibrium constants for these interactions. In addition, in order to reduce the delicate difference among the cuvettes, inhibition analyses of mixture of FGFs and immobilized native heparin by modified heparins were also done. The data from these two methods were similar, indicating that all sulfate groups at 2-O, 6-O and N- in heparin were required for the binding to aFGF; and that their contribution to the binding was in the order 2-O, N- and 6-O-sulfate group. In contrast, definite contribution of the 6-O-sulfate group to the binding with bFGF was most apparent, while the other two sulfate groups appeared to be necessary in the order 2-O and N-sulfate group. These methods established here can be used for analysing the effect of sulfate groups in heparin on the binding with other human FGF members or other heparin-binding proteins.

  13. Traffic accidents and road surface skidding resistance : an investigation into the statistical relationship between the skidding resistance of the road surface and relative road risk. Summary of the research report of Sub-committee V of the Working Group on Tyres, Road Surfaces and Skidding Accidents of the Institute for Road Safety Research, SWOV

    NARCIS (Netherlands)

    Schlösser, L.H.M

    1975-01-01

    This study forms part of an extended research programme of the Working Group on Tyres, Road-surfaces and Skidding accidents. According to the terms of reference a statistical relationship had to be established between the skidding resistance of a road-surface and the number of accidents per million

  14. Group Theoretical Analysis of non-Newtonian Fluid Flow, Heat and Mass Transfer over a Stretching Surface in the Presence of Thermal Radiation

    Directory of Open Access Journals (Sweden)

    Muhammad Tufail

    2016-01-01

    Full Text Available The present article examines the flow, heat and mass transfer of a non-Newtonian fluid known as Casson fluid over a stretching surface in the presence of thermal radiations effects. Lie Group analysis is used to reduce the governing partial differential equations into non-linear ordinary differential equations. These equations are then solved by an analytical technique known as Homotopy Analysis Method (HAM. A comprehensive study of the problem is being made for various parameters involving in the equations through tables and graphs.

  15. Effect of the functional groups of carbon on the surface and catalytic properties of Ru/C catalysts for hydrogenolysis of glycerol

    Energy Technology Data Exchange (ETDEWEB)

    Gallegos-Suarez, E. [Departamento de Química Inorgánica y Técnica, Facultad de Ciencias, UNED, Paseo Senda del Rey n° 9, 28040 Madrid (Spain); Instituto de Catálisis y Petroleoquímica, CSIC, Marie Curie n° 2, L-10, 28049 Madrid (Spain); Pérez-Cadenas, M. [Instituto de Catálisis y Petroleoquímica, CSIC, Marie Curie n° 2, L-10, 28049 Madrid (Spain); Guerrero-Ruiz, A. [Instituto de Catálisis y Petroleoquímica, CSIC, Marie Curie n° 2, L-10, 28049 Madrid (Spain); Unidad Asociada UNED ICP-CSIC, Group Design and Applied Heterogeneous Catalysis (Spain); Rodriguez-Ramos, I. [Departamento de Química Inorgánica y Técnica, Facultad de Ciencias, UNED, Paseo Senda del Rey n° 9, 28040 Madrid (Spain); Unidad Asociada UNED ICP-CSIC, Group Design and Applied Heterogeneous Catalysis (Spain); Arcoya, A., E-mail: aarcoya@icp.csic.es [Departamento de Química Inorgánica y Técnica, Facultad de Ciencias, UNED, Paseo Senda del Rey n° 9, 28040 Madrid (Spain); Unidad Asociada UNED ICP-CSIC, Group Design and Applied Heterogeneous Catalysis (Spain)

    2013-12-15

    Ruthenium catalysts supported on activated carbons, original (AC) and treated with nitric acid (AC-Ox) were prepared by incipient wetness impregnation from either chloride (Cl) or nitroxyl nitrate (n) precursors. These catalysts were characterized by TG, XPS, TEM, TPD-MS and CO adsorption microcalorimetry and evaluated in the hydrogenolysis of glycerol in the liquid phase, at 453 K and 8 MPa. Studies by TEM show that ruthenium particles supported on AC-Ox are larger than on AC, without any effect of the nature of the metal precursor. However, adsorption of CO on the ex-chloride catalysts is inhibited in comparison with that of the ex-nitroxyl nitrate catalysts. Catalysts characterization by TG, TPD-MS and XPS reveals that the nitric acid treatment and the nitroxyl nitrate precursor generate oxygenated groups on the carbon surface, which provide acid properties to the catalysts, although they are partly destroyed during the reduction treatment applied to the catalysts. The sequence of the overall TOF, Ru(Cl)/AC < Ru(n)/AC < Ru(Cl)/AC-Ox ≈ Ru(n)/AC-Ox, reasonably parallels the population increase of surface acid groups. Participation of the -COOH groups in the transformation of glycerol into 1,2-propanediol is verified by using the admixture Ru(Cl)/AC+AC-Ox as catalyst. In this case, since AC-Ox was not thermally treated and no loss of oxygenated groups occurred, TOF and selectivity toward 1,2-propanediol improve in comparison with those of the more active catalysts.

  16. Novel relationship between hydroxyl radical initiation and surface group of ceramic honeycomb supported metals for the catalytic ozonation of nitrobenzene in aqueous solution.

    Science.gov (United States)

    Zhao, Lei; Sun, Zhizhong; Ma, Jun

    2009-06-01

    Comparative experiments have been performed to investigate the degradation efficiency of nitrobenzene and the removal efficiency of TOC in aqueous solution bythe processes of ceramic honeycomb supported different metals (Fe, Ni, and Zn) catalytic ozonation, indicating that the modification with metals can enhance the activity of ceramic honeycomb for the catalytic ozonation of nitrobenzene, and the loading percentage of metal and the metallicity respectively presents a positive influence on the degradation of nitrobenzene. The degradation efficiency of nitrobenzene is determined by the initiation of hydroxyl radical (*OH) according to a good linear correlation in all the processes of modified ceramic honeycomb catalytic ozonation at the different loading percentages of metals. The modification of ceramic honeycomb with metals results in the conversion of the pH at the point of zero charge (pHpzc) and the evolution of surface groups. Divergence from the conventional phenomenon, the enhancement mechanism of ozone decomposition on the modified ceramic honeycomb with metals is proposed due to the basic attractive forces of electrostatic forces or/and hydrogen bonding. Consequently, a novel relationship between the initiation of *OH and the surface-OH2+ group on the modified catalyst is established based on the synergetic effect between homogeneous and heterogeneous reaction systems.

  17. Reduction of calcium flux from the extracellular region and endoplasmic reticulum by amorphous nano-silica particles owing to carboxy group addition on their surface

    Directory of Open Access Journals (Sweden)

    Akira Onodera

    2017-03-01

    Full Text Available Several studies have reported that amorphous nano-silica particles (nano-SPs modulate calcium flux, although the mechanism remains incompletely understood. We thus analyzed the relationship between calcium flux and particle surface properties and determined the calcium flux route. Treatment of Balb/c 3T3 fibroblasts with nano-SPs with a diameter of 70 nm (nSP70 increased cytosolic calcium concentration, but that with SPs with a diameter of 300 or 1000 nm did not. Surface modification of nSP70 with a carboxy group also did not modulate calcium flux. Pretreatment with a general calcium entry blocker almost completely suppressed calcium flux by nSP70. Preconditioning by emptying the endoplasmic reticulum (ER calcium stores slightly suppressed calcium flux by nSP70. These results indicate that nSP70 mainly modulates calcium flux across plasma membrane calcium channels, with subsequent activation of the ER calcium pump, and that the potential of calcium flux by nano-SPs is determined by the particle surface charge.

  18. Surface water sampling and analysis plan for environmental monitoring in Waste Area Grouping 6 at Oak Ridge National Laboratory, Oak Ridge, Tennessee. Environmental Restoration Program

    Energy Technology Data Exchange (ETDEWEB)

    1994-06-01

    This Sampling and Analysis Plan addresses surface water monitoring, sampling, and analysis activities that will be conducted in support of the Environmental Monitoring Plan for Waste Area Grouping (WAG) 6. WAG 6 is a shallow-burial land disposal facility for low-level radioactive waste at the Oak Ridge National Laboratory, a research facility owned by the US Department of Energy and managed by Martin Marietta Energy Systems, Inc. Surface water monitoring will be conducted at nine sites within WAG 6. Activities to be conducted will include the installation, inspection, and maintenance of automatic flow-monitoring and sampling equipment and manual collection of various water and sediment samples. The samples will be analyzed for various organic, inorganic, and radiological parameters. The information derived from the surface water monitoring, sampling, and analysis will aid in evaluating risk associated with contaminants migrating off-WAG, and will be used in calculations to establish relationships between contaminant concentration (C) and flow (Q). The C-Q relationship will be used in calculating the cumulative risk associated with the off-WAG migration of contaminants.

  19. Surface Confined Ionic Liquid-A New Stationary Phase for the Separation of Ephedrines in High-performance Liquid Chromatography

    Institute of Scientific and Technical Information of China (English)

    Shu Juan LIU; Feng ZHOU; Xiao Hua XIAO; Liang ZHAO; Xia LIU; Sheng Xiang JIANG

    2004-01-01

    In this article, a new and effective stationary phase based on ionic liquid modified silica is first reported and used for the separation of ephedrines in high-performance liquid chromatography (HPLC). The separation results indicate the high efficiency and reproducibility of the stationary phase. The electrostatic interaction, ion-exchange interaction between the solutes and the stationary phase are considered to attribute the effective separation. Moreover, the free silanols on the surface of the silica are effectively masked by the immobilized ionic liquid, a result of which is to decrease the non-specific absorption.

  20. Comparison of the surface ion density of silica gel evaluated via spectral induced polarization versus acid-base titration

    Science.gov (United States)

    Hao, Na; Moysey, Stephen M. J.; Powell, Brian A.; Ntarlagiannis, Dimitrios

    2016-12-01

    Surface complexation models are widely used with batch adsorption experiments to characterize and predict surface geochemical processes in porous media. In contrast, the spectral induced polarization (SIP) method has recently been used to non-invasively monitor in situ subsurface chemical reactions in porous media, such as ion adsorption processes on mineral surfaces. Here we compare these tools for investigating surface site density changes during pH-dependent sodium adsorption on a silica gel. Continuous SIP measurements were conducted using a lab scale column packed with silica gel. A constant inflow of 0.05 M NaCl solution was introduced to the column while the influent pH was changed from 7.0 to 10.0 over the course of the experiment. The SIP measurements indicate that the pH change caused a 38.49 ± 0.30 μS cm- 1 increase in the imaginary conductivity of the silica gel. This increase is thought to result from deprotonation of silanol groups on the silica gel surface caused by the rise in pH, followed by sorption of Na+ cations. Fitting the SIP data using the mechanistic model of Leroy et al. (Leroyet al., 2008), which is based on the triple layer model of a mineral surface, we estimated an increase in the silica gel surface site density of 26.9 × 1016 sites m- 2. We independently used a potentiometric acid-base titration data for the silica gel to calibrate the triple layer model using the software FITEQL and observed a total increase in the surface site density for sodium sorption of 11.2 × 1016 sites m- 2, which is approximately 2.4 times smaller than the value estimated using the SIP model. By simulating the SIP response based on the calibrated surface complexation model, we found a moderate association between the measured and estimated imaginary conductivity (R2 = 0.65). These results suggest that the surface complexation model used here does not capture all mechanisms contributing to polarization of the silica gel captured by the SIP data.

  1. Genetic Variations in the Human G Protein-coupled Receptor Class C, Group 6, Member A (GPRC6A) Control Cell Surface Expression and Function.

    Science.gov (United States)

    Jørgensen, Stine; Have, Christian Theil; Underwood, Christina Rye; Johansen, Lars Dan; Wellendorph, Petrine; Gjesing, Anette Prior; Jørgensen, Christinna V; Quan, Shi; Rui, Gao; Inoue, Asuka; Linneberg, Allan; Grarup, Niels; Jun, Wang; Pedersen, Oluf; Hansen, Torben; Bräuner-Osborne, Hans

    2017-01-27

    GPRC6A is a G protein-coupled receptor activated by l-amino acids, which, based on analyses of knock-out mice, has been suggested to have physiological functions in metabolism and testicular function. The human ortholog is, however, mostly retained intracellularly in contrast to the cell surface-expressed murine and goldfish orthologs. The latter orthologs are Gq-coupled and lead to intracellular accumulation of inositol phosphates and calcium release. In the present study we cloned the bonobo chimpanzee GPRC6A receptor, which is 99% identical to the human receptor, and show that it is cell surface-expressed and functional. By analyses of chimeric human/mouse and human/bonobo receptors, bonobo receptor mutants, and the single nucleotide polymorphism database at NCBI, we identify an insertion/deletion variation in the third intracellular loop responsible for the intracellular retention and lack of function of the human ortholog. Genetic analyses of the 1000 genome database and the Inter99 cohort of 6,000 Danes establish the distribution of genotypes among ethnic groups, showing that the cell surface-expressed and functional variant is much more prevalent in the African population than in European and Asian populations and that this variant is partly linked with a stop codon early in the receptor sequence (rs6907580, amino acid position 57). In conclusion, our data solve a more than decade-old question of why the cloned human GPRC6A receptor is not cell surface-expressed and functional and provide a genetic framework to study human phenotypic traits in large genome sequencing projects linked with physiological measurement and biomarkers.

  2. Biocompatibility, endocytosis, and intracellular trafficking of mesoporous silica and polystyrene nanoparticles in ovarian cancer cells: effects of size and surface charge groups

    Science.gov (United States)

    Ekkapongpisit, Maneerat; Giovia, Antonino; Follo, Carlo; Caputo, Giuseppe; Isidoro, Ciro

    2012-01-01

    Background and methods Nanoparticles engineered to carry both a chemotherapeutic drug and a sensitive imaging probe are valid tools for early detection of cancer cells and to monitor the cytotoxic effects of anticancer treatment simultaneously. Here we report on the effect of size (10–30 nm versus 50 nm), type of material (mesoporous silica versus polystyrene), and surface charge functionalization (none, amine groups, or carboxyl groups) on biocompatibility, uptake, compartmentalization, and intracellular retention of fluorescently labeled nanoparticles in cultured human ovarian cancer cells. We also investigated the involvement of caveolae in the mechanism of uptake of nanoparticles. Results We found that mesoporous silica nanoparticles entered via caveolae-mediated endocytosis and reached the lysosomes; however, while the 50 nm nanoparticles permanently resided within these organelles, the 10 nm nanoparticles soon relocated in the cytoplasm. Naked 10 nm mesoporous silica nanoparticles showed the highest and 50 nm carboxyl-modified mesoporous silica nanoparticles the lowest uptake rates, respectively. Polystyrene nanoparticle uptake also occurred via a caveolae-independent pathway, and was negatively affected by serum. The 30 nm carboxyl-modified polystyrene nanoparticles did not localize in lysosomes and were not toxic, while the 50 nm amine-modified polystyrene nanoparticles accumulated within lysosomes and eventually caused cell death. Ovarian cancer cells expressing caveolin-1 were more likely to endocytose these nanoparticles. Conclusion These data highlight the importance of considering both the physicochemical characteristics (ie, material, size and surface charge on chemical groups) of nanoparticles and the biochemical composition of the cell membrane when choosing the most suitable nanotheranostics for targeting cancer cells. PMID:22904626

  3. Scaling group transformation for MHD boundary-layer flow of a nanofluid past a vertical stretching surface in the presence of suction/injection

    Energy Technology Data Exchange (ETDEWEB)

    Kandasamy, R., E-mail: future990@gmail.com [Computational Fluid Dynamics, FSSW, Universiti Tun Hussein Onn Malaysia (Malaysia); Loganathan, P.; Arasu, P. Puvi [Department of Mathematics, Anna University, Tamil Nadu (India)

    2011-06-15

    Highlights: > A nanofluid is a new class of heat transfer fluids that contain a base fluid and nanoparticles. > The model used for the nanofluid incorporates the effects of Brownian motion and thermophoresis. > In nanofluid systems, thermophoresis particle deposition in the presence of magnetic field with Brownian motion has a substantial effect on the flow field. - Abstract: The problem of laminar fluid flow which results from the stretching of a vertical surface with variable stream conditions in a nanofluid has been investigated numerically. The model used for the nanofluid incorporates the effects of Brownian motion and thermophoresis in the presence of magnetic field. The symmetry groups admitted by the corresponding boundary value problem are obtained by using a special form of Lie group transformations viz. scaling group of transformations. An exact solution is obtained for translation symmetry and numerical solutions for scaling symmetry. This solution depends on a Lewis number, magnetic field, Brownian motion parameter and thermophoretic parameter. The conclusion is drawn that the flow field and temperature and nanoparticle volume fraction profiles are significantly influenced by these parameters.

  4. Estimated 2008 groundwater potentiometric surface and predevelopment to 2008 water-level change in the Santa Fe Group aquifer system in the Albuquerque area, central New Mexico

    Science.gov (United States)

    Falk, Sarah E.; Bexfield, Laura M.; Anderholm, Scott K.

    2011-01-01

    The water-supply requirements of the Albuquerque metropolitan area of central New Mexico have historically been met almost exclusively by groundwater withdrawal from the Santa Fe Group aquifer system. Previous studies have indicated that the large quantity of groundwater withdrawal relative to recharge has resulted in water-level declines in the aquifer system throughout the metropolitan area. Analysis of the magnitude and pattern of water-level change can help improve understanding of how the groundwater system responds to withdrawals and variations in the management of the water supply and can support water-management agencies' efforts to minimize future water-level declines and improve sustainability. This report, prepared by the U.S. Geological Survey in cooperation with the Albuquerque Bernalillo County Water Utility Authority, presents the estimated groundwater potentiometric surface during winter (from December to March) of the 2008 water year and the estimated changes in water levels between predevelopment and water year 2008 for the production zone of the Santa Fe Group aquifer system in the Albuquerque and surrounding metropolitan and military areas. Hydrographs from selected wells are included to provide details of historical water-level changes. In general, water-level measurements used for this report were measured in small-diameter observation wells screened over short intervals and were considered to best represent the potentiometric head in the production zone-the interval of the aquifer, about 300 feet below land surface to 1,100 feet or more below land surface, in which production wells generally are screened. Water-level measurements were collected by various local and Federal agencies. The 2008 water year potentiometric surface map was created in a geographic information system, and the change in water-level elevation from predevelopment to water year 2008 was calculated. The 2008 water-level contours indicate that the general direction of

  5. Cadmium and lead interaction with diatom surfaces: A combined thermodynamic and kinetic approach

    Science.gov (United States)

    Gélabert, A.; Pokrovsky, O. S.; Schott, J.; Boudou, A.; Feurtet-Mazel, A.

    2007-08-01

    This work is devoted to the physico-chemical study of cadmium and lead interaction with diatom-water interfaces for two marine planktonic ( Thalassiosira weissflogii, TW; Skeletonema costatum, SC) and two freshwater periphytic species ( Achnanthidium minutissimum, AMIN; Navicula minima, NMIN) by combining adsorption measurements with surface complexation modeling. Adsorption kinetics was studied as a function of pH and initial metal concentration in sodium nitrate solution and in culture media. Kinetic data were consistent with a two-step mechanism in which the loss of a water molecule from the inner coordination sphere of the metal is rate limiting. Reversible adsorption experiments, with 3 h of exposure to metal, were performed as a function of pH (2-9), metal concentration in solution (10 -9-10 -3 M), and ionic strength (10 -3-1.0 M). While the shape of pH-dependent adsorption edge is similar among all four diatom species, the constant-pH adsorption isotherm and maximal binding capacities differ. Measurements of electrophoretic mobilities ( μ) revealed negative surface potential for AMIN diatom, however, the absolute value of μ decreases with increase of [Pb 2+] aq suggesting the metal adsorption on negative surface sites. These observations allowed us to construct a surface complexation model (SCM) for cadmium and lead binding by diatom surfaces that postulates the Constant Capacitance of the electric double layer and considers Cd and Pb complexation with mainly carboxylic and, partially, silanol groups. In the full range of investigated Cd concentration, the SCM is able to describe the concentration of adsorbed metal as a function of [Cd 2+] aq without implying the presence of high affinity, low abundance sites, that are typically used to model the metal interactions with natural multi-component organic substances. At the same time, Cd fast initial reaction requires the presence of "highly reactive sites" those concentration represents only 2.5-3% of the

  6. Effect of particle structure and surface chemistry on PMMA adsorption to silica nanoparticles.

    Science.gov (United States)

    Madathingal, Rajesh Raman; Wunder, Stephanie L

    2010-04-06

    The interphase layer of polymers adsorbed to silica surfaces can be affected by the surface silanol density as well as the relative size of the polymer compared with the size of the adsorbing substrate. Here, the nonequilibrium adsorption of PMMA onto individual colloidal Stober silica (SiO(2)) particles, where R(particle) (100 nm) > R(PMMA) (approximately 6.5 nm) was compared with the adsorption onto fumed silica, where R(particle) (7 nm) approximately R(PMMA) (6.5 nm) bonded to the silanols, and was independent of particle morphology. For methylated silica, (CH(3))(3)SiO(2), the adsorption isotherms were identical for colloidal and fumed silica, but T(g) was depressed for the former, and comparable to the bulk value for the latter. The increased T(g) of PMMA adsorbed onto fumed (CH(3))(3)SiO(2) was attributed to the larger loops formed by the bridging PMMA chains between the silica aggregates.

  7. Lie group analysis of heat and mass transfer effects on steady MHD free convection dissipative fluid flow past an inclined porous surface with heat generation

    Directory of Open Access Journals (Sweden)

    Reddy Gnaneswara M.

    2012-01-01

    Full Text Available In this paper, an analysis has been carried out to study heat and mass transfer effects on steady two-dimensional flow of an electrically conducting incompressible dissipating fluid past an inclined semi-infinite porous surface with heat generation. A scaling group of transformations is applied to the governing equations. The system remains invariant due to some relations among the parameters of the transformations. After finding three absolute invariants, a third-order ordinary differential equation corresponding to the momentum equation, and two secondorder ordinary differential equations corresponding to energy and diffusion equations are derived. The coupled ordinary differential equations along with the boundary conditions are solved numerically. Many results are obtained and a representative set is displayed graphically to illustrate the influence of the various parameters on the dimensionless velocity, temperature and concentration profiles. Comparisons with previously published work are performed and the results are found to be in very good agreement.

  8. Microwave assisted synthesis of a series of charge-transfer photosensitizers having quinoxaline-2(1H)-one as anchoring group onto TiO2 surface

    Science.gov (United States)

    Caicedo, Mauricio; Echeverry, Carlos A.; Guimarães, Robson R.; Ortiz, Alejandro; Araki, Koiti; Insuasty, Braulio

    2017-04-01

    In this work, we present the synthesis of novel donor-acceptor compounds based on 3-methylquinoxaline-2(1H)one which follow an easy synthetic route, involving Knoevenagel reaction with electron-donor groups such as N,N-dimethylaminobenzene, ferrocene, triphenylamine (TPA) and ((E)-4,4'-(ethene-1,2-diyl) bis (N,N-diphenylaniline). Additionally, the optical properties were measured by means of the absorption and emission spectroscopy suggesting a push-pull behavior which was further confirmed by electrochemical experiments. Finally, the quinoxaline-2(1H)one fragment not only bestow wide absorption, but also can chelate to titanium ions on the TiO2 surface, allowing a strong electron coupling between the excited-state energy level of the dyes and the conduction band of TiO2.

  9. In-situ Evaluation of Soil Organic Molecules: Functional Group Chemistry Aggregate Structures, Metal & Surface Complexation Using Soft X-Ray

    Energy Technology Data Exchange (ETDEWEB)

    Myneni, Satish, C

    2008-11-30

    Organic molecules are common in all Earth surface environments, and their composition and chemistry play an important role in a variety of biogeochemical reactions, such as mineral weathering, nutrient cycling and the solubility and transport of contaminants. However, most of what we know about the chemistry of these molecules comes from spectroscopy and microscopy studies of organic molecules extracted from different natural systems using either inorganic or organic solvents. Although all these methods gave us clues about the composition of these molecules, their composition and structure change with the extraction and the type of ex-situ analysis, their true behavior is less well understood. The goal of this project is to develop synchrotron instrumentation for studying natural organics, and to apply these recently developed synchrotron X-ray spectroscopy and microscopy techniques for understanding the: (1) functional group composition of naturally occurring organic molecules; (2) macromolecular structures of organic molecules; and (3) the nature of interactions of organic molecules with mineral surfaces in different environmental conditions.

  10. Electrochemistry, surface plasmon resonance, and quartz crystal microbalance: an associative study on cytochrome c adsorption on pyridine tail-group monolayers on gold.

    Science.gov (United States)

    Paulo, Tércio de F; de Sousa, Ticyano P; de Abreu, Dieric S; Felício, Nathalie H; Bernhardt, Paul V; Lopes, Luiz G de F; Sousa, Eduardo H S; Diógenes, Izaura C N

    2013-07-25

    Quartz crystal microbalance (QCM), surface plasmon resonance (SPR), and electrochemistry techniques were used to study the electron-transfer (ET) reaction of cytochrome c (Cyt c) on gold surfaces modified with thionicotinamide, thioisonicotinamide, 4-mercaptopyridine, 5-(4-pyridyl)-1,3,4-oxadiazole-2-thiol, 5-phenyl-1,3,4-oxadiazole-2-thiol, 4,4'-bipyridine, and 4,4'-dithiopyridine. The electrochemical results showed that the ET process is complex, being chiefly diffusional with steps depending on the orientation of the pyridine or phenyl tail group of the modifiers. The correlation between the electrochemical results and those acquired by SPR and QCM indicated the presence of an adlayer of Cyt c adsorbed on the thiolate SAMs. This adlayer, although being not electroactive, is essential to assess the ET reaction of Cyt c in solution. The results presented in this work are consistent with the statement (Feng, Z. Q.; Imabayashi, S.; Kakiuchi, T.; Niki, K. J. Electroanal. Chem. 1995, 394, 149-154) that the ET reaction of Cyt c can be explained in terms of the through-bond tunneling mechanism.

  11. The Surface faulting produced by the 30 October 2016 Mw 6.5 Central Italy earthquake: the Open EMERGEO Working Group experience

    Science.gov (United States)

    Pantosti, Daniela

    2017-04-01

    The October 30, 2016 (06:40 UTC) Mw 6.5 earthquake occurred about 28 km NW of Amatrice village as the result of upper crust normal faulting on a nearly 30 km-long, NW-SE oriented, SW dipping fault system in the Central Apennines. This earthquake is the strongest Italian seismic event since the 1980 Mw 6.9 Irpinia earthquake. The Mw 6.5 event was the largest shock of a seismic sequence, which began on August 24 with a Mw 6.0 earthquake and also included a Mw 5.9 earthquake on October 26, about 9 and 35 km NW of Amatrice village, respectively. Field surveys of coseismic geological effects at the surface started within hours of the mainshock and were carried out by several national and international teams of earth scientists (about 120 people) from different research institutions and universities coordinated by the EMERGEO Working Group of the Istituto Nazionale di Geofisica e Vulcanologia. This collaborative effort was focused on the detailed recognition and mapping of: 1) the total extent of the October 30 coseismic surface ruptures, 2) their geometric and kinematic characteristics, 3) the coseismic displacement distribution along the activated fault system, including subsidiary and antithetic ruptures. The huge amount of collected data (more than 8000 observation points of several types of coseismic effects at the surface) were stored, managed and shared using a specifically designed spreadsheet to populate a georeferenced database. More comprehensive mapping of the details and extent of surface rupture was facilitated by Structure-from-Motion photogrammetry surveys by means of several helicopter flights. An almost continuous alignment of ruptures about 30 km long, N150/160 striking, mainly SW side down was observed along the already known active Mt. Vettore - Mt. Bove fault system. The mapped ruptures occasionally overlapped those of the August 24 Mw 6.0 and October 26 Mw 5.9 shocks. The coincidence between the observed surface ruptures and the trace of active

  12. Effect of the functional groups of carbon on the surface and catalytic properties of Ru/C catalysts for hydrogenolysis of glycerol

    Science.gov (United States)

    Gallegos-Suarez, E.; Pérez-Cadenas, M.; Guerrero-Ruiz, A.; Rodriguez-Ramos, I.; Arcoya, A.

    2013-12-01

    Ruthenium catalysts supported on activated carbons, original (AC) and treated with nitric acid (AC-Ox) were prepared by incipient wetness impregnation from either chloride (Cl) or nitroxyl nitrate (n) precursors. These catalysts were characterized by TG, XPS, TEM, TPD-MS and CO adsorption microcalorimetry and evaluated in the hydrogenolysis of glycerol in the liquid phase, at 453 K and 8 MPa. Studies by TEM show that ruthenium particles supported on AC-Ox are larger than on AC, without any effect of the nature of the metal precursor. However, adsorption of CO on the ex-chloride catalysts is inhibited in comparison with that of the ex-nitroxyl nitrate catalysts. Catalysts characterization by TG, TPD-MS and XPS reveals that the nitric acid treatment and the nitroxyl nitrate precursor generate oxygenated groups on the carbon surface, which provide acid properties to the catalysts, although they are partly destroyed during the reduction treatment applied to the catalysts. The sequence of the overall TOF, Ru(Cl)/AC catalyst. In this case, since AC-Ox was not thermally treated and no loss of oxygenated groups occurred, TOF and selectivity toward 1,2-propanediol improve in comparison with those of the more active catalysts.

  13. Interaction of water, hydrogen and their mixtures with SnO2 based materials: the role of surface hydroxyl groups in detection mechanisms.

    Science.gov (United States)

    Pavelko, Roman G; Daly, Helen; Hardacre, Christopher; Vasiliev, Alexey A; Llobet, Eduard

    2010-03-20

    DRIFTS, TGA and resistance measurements have been used to study the mechanism of water and hydrogen interaction accompanied by a resistance change (sensor signal) of blank and Pd doped SnO(2). It was found that a highly hydroxylated surface of blank SnO(2) reacts with gases through bridging hydroxyl groups, whereas the Pd doped materials interact with hydrogen and water through bridging oxygen. In the case of blank SnO(2) the sensor signal maximum towards H(2) in dry air (R(0)/R(g)) is observed at approximately 345 degrees C, and towards water, at approximately 180 degrees C, which results in high selectivity to hydrogen in the presence of water vapors (minor humidity effect). In contrast, on doping with Pd the response to hydrogen in dry air and to water occurred in the same temperature region (ca. 140 degrees C) leading to low selectivity with a high effect of humidity. An increase in water concentration in the gas phase changes the hydrogen interaction mechanism of Pd doped materials, while that of blank SnO(2) is unchanged. The interaction of hydrogen with the catalyst doped SnO(2) occurs predominantly through hydroxyl groups when the volumetric concentration of water in the gas phase is higher than that of H(2) by a factor of 1000.

  14. Biocompatibility, endocytosis, and intracellular trafficking of mesoporous silica and polystyrene nanoparticles in ovarian cancer cells: effects of size and surface charge groups

    Directory of Open Access Journals (Sweden)

    Ekkapongpisit M

    2012-07-01

    Full Text Available Maneerat Ekkapongpisit,1 Antonino Giovia,1 Carlo Follo,1 Giuseppe Caputo,2,3 Ciro Isidoro11Laboratory of Molecular Pathology and Nanobioimaging, Department of Health Sciences, Università del Piemonte Orientale “A Avogadro”, Novara, 2Dipartimento di Chimica dell’Università di Torino, Torino, 3Cyanine Technology SpA, Torino, ItalyBackground and methods: Nanoparticles engineered to carry both a chemotherapeutic drug and a sensitive imaging probe are valid tools for early detection of cancer cells and to monitor the cytotoxic effects of anticancer treatment simultaneously. Here we report on the effect of size (10–30 nm versus 50 nm, type of material (mesoporous silica versus polystyrene, and surface charge functionalization (none, amine groups, or carboxyl groups on biocompatibility, uptake, compartmentalization, and intracellular retention of fluorescently labeled nanoparticles in cultured human ovarian cancer cells. We also investigated the involvement of caveolae in the mechanism of uptake of nanoparticles.Results: We found that mesoporous silica nanoparticles entered via caveolae-mediated endocytosis and reached the lysosomes; however, while the 50 nm nanoparticles permanently resided within these organelles, the 10 nm nanoparticles soon relocated in the cytoplasm. Naked 10 nm mesoporous silica nanoparticles showed the highest and 50 nm carboxyl-modified mesoporous silica nanoparticles the lowest uptake rates, respectively. Polystyrene nanoparticle uptake also occurred via a caveolae-independent pathway, and was negatively affected by serum. The 30 nm carboxyl-modified polystyrene nanoparticles did not localize in lysosomes and were not toxic, while the 50 nm amine-modified polystyrene nanoparticles accumulated within lysosomes and eventually caused cell death. Ovarian cancer cells expressing caveolin-1 were more likely to endocytose these nanoparticles.Conclusion: These data highlight the importance of considering both the

  15. Surface Modification, Surface Groups Characterization and Adsorption Properties of Bamboo-Charcoal%竹炭的表面改性、基团表征与吸附性能

    Institute of Scientific and Technical Information of China (English)

    张启伟; 王桂仙

    2012-01-01

    Surface of ordinary bamboo-charcoal was pretreated with nitric acid and microwave heating,ammonia. Fourier transform infrared( FTIR) spectrometer, elemental analysis measurements demonstrate that the contents of O-containing groups and N-containing groups on the bamboo-charcoal surface increase via HNO3 and NH3 · H20 treatment. Results showed of adsorption that adsorption capacity of the modified bamboo-charcoal for metal ions were elevated remarkably. Among them, the mercury(Ⅱ) adsorption capacity increased by 25% , and palladium(Ⅱ) adsorption capacity increased by 32% or more. And the adsorption process was changed from the physical adsorption to the chemical adsorption. This study will expanded the applications of bamboo charcoal, and become into functional adsorption material.%通过硝酸+微波加热和氨水吸附的方法对普通竹炭进行表面改性处理,运用红外图谱和元素分析对改性前后的竹炭进行表征.结果表明:含氧基团和含氮基团的含量明显增加.吸附试验结果表明:改性后竹炭对金属离子的吸附性能明显提高,其中,汞(Ⅱ)的吸附量提高25%以上,钯(Ⅱ)的吸附量提高32%以上,且吸附过程从以物理吸附为主转化为以化学吸附为主.

  16. 20 January 2014 - Members of the Regional Assemblies and Parliaments United Kingdom of Great Britain and Northern Ireland visiting the LHC tunnel at Point 8 with Technology Department, Vacuum, Surfaces and Coatings Group P. Cruikshank.

    CERN Multimedia

    Pantelia, Anna

    2014-01-01

    20 January 2014 - Members of the Regional Assemblies and Parliaments United Kingdom of Great Britain and Northern Ireland visiting the LHC tunnel at Point 8 with Technology Department, Vacuum, Surfaces and Coatings Group P. Cruikshank.

  17. Quantitative analysis of surface amine groups on plasma-polymerized ethylenediamine films using UV-visible spectroscopy compared to chemical derivatization with FT-IR spectroscopy, XPS and TOF-SIMS

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jinmo [Department of Physics, Brain Korea 21 Physics Research Division and Institute of Basic Science, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of); Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Jung, Donggeun [Department of Physics, Brain Korea 21 Physics Research Division and Institute of Basic Science, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of); Park, Yongsup [Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Kim, Yongki [Department of Physics, Brain Korea 21 Physics Research Division and Institute of Basic Science, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of); Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Moon, Dae Won [Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Lee, Tae Geol [Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of)]. E-mail: tglee@kriss.re.kr

    2007-02-28

    A quantitative analysis of the surface density of amine groups on a plasma-polymerized ethylenediamine thin film deposited on a platinum surface using inductively coupled plasma chemical vapor deposition method is described. UV-visible spectroscopy together with a chemical derivatization technique using Fourier transform infrared (FT-IR) spectroscopy was used to obtain the quantitative information. Chemical tags of pentafluorobenzaldehyde were hybridized with the surface amine groups and were easily detected due to the characteristic absorption bands of C-F stretching, aromatic ring and C=N stretching vibrations in the reflection-absorption FT-IR spectra. The surface amine density was reproducibly controlled as a function of deposition plasma power and quantified using UV-visible spectroscopy. A good linear correlation was observed between the FT-IR intensities of the characteristic absorption bands and the surface amine densities, suggesting the possibility of using this chemical derivatization technique to quantify the surface densities of specific functional groups on an organic surface. Chemical derivatization was also used with X-ray photoelectron spectroscopy on the same samples, and the results were compared with those obtained from FT-IR and time-of-flight secondary ion mass spectrometry. Although each analysis technique has different probing depths from the surface, the three different data sets obtained from the chemical tags correlated well with each other since each analysis technique measured the chemical tags on the sample surface.

  18. Anomalous carrier life-time relaxation mediated by head group interaction in surface anchored MnSe quantum dots conjugated with albumin proteins

    Energy Technology Data Exchange (ETDEWEB)

    Sarma, Runjun; Mohanta, Dambarudhar, E-mail: best@tezu.ernet.in

    2017-02-01

    We report on the radiative emission decay dynamics of a less known, γ-phase manganese selenide quantum dot system (MnSe QDs) subjected to bio-functionalization. A short-ligand thioglycolic acid (TGA), and a long-chain sodium dodecyl sulfate (SDS) surfactants were used as surface anchors prior bioconjugation with albumin proteins (BSA). Time resolved photoluminescence (TR-PL) spectra of the QDs have revealed bi-exponential decay trends with the fast (τ{sub 1}) and slow (τ{sub 2}) decay parameters assigned to the core state recombination and surface trapped excitons; respectively. The average lifetime (τ{sub avg}) was found to get shortened from a value of ∼0.87 ns–0.72 ns in unconjugated and BSA conjugated MnSe-TGA QDs; respectively. Conversely, MnSe-SDS QDs with BSA conjugation exhibited nearly four-fold enhancement of τ{sub avg} with respect to its unconjugated counterpart. Moreover, a considerable amount of Förster resonance energy transfer (FRET) was found to occur from the TGA coated MnSe QDs to BSA and with an ensuing efficiency of ∼61%. The origin of anomalous carrier life-time relaxation features has also been encountered through a simplified model as regards head group interaction experienced by the MnSe QDs with different surfactant types. Exploiting luminescence decay characteristics of a magneto-fluorescent candidate could find immense scope in diverse biological applications including assays, labeling and imaging. - Highlights: • Surface anchored manganese selenide quantum dots (MnSe QDs) have been synthesized via a physico-chemical reduction route. • Time resolved luminescence spectra of the QDs have displayed bi-exponential decay trend. • Thioglycolic acid (TGA) coated QDs exhibited shorter lifetime as compared to sodium dodecyl sulfo-succinate (SDS) coated ones. • Upon BSA conjugation, the average life time is four-fold enhanced in MnSe-SDS QDs. • An efficient FRET process has been revealed in BSA conjugated TGA coated MnSe QDs.

  19. Impact of the molecular structure and adsorption mode of D-π-A dye sensitizers with a pyridyl group in dye-sensitized solar cells on the adsorption equilibrium constant for dye-adsorption on TiO2 surface.

    Science.gov (United States)

    Ooyama, Yousuke; Yamaguchi, Naoya; Ohshita, Joji; Harima, Yutaka

    2016-12-07

    D-π-A dyes NI-4 bearing a pyridyl group, YNI-1 bearing two pyridyl groups and YNI-2 bearing two thienylpyridyl groups as the anchoring group on the TiO2 surface have been developed as dye sensitizers for dye-sensitized solar cells (DSSCs), where NI-4 and YNI-2 can adsorb onto the TiO2 electrode through the formation of the coordinate bond between the pyridyl group of the dye and the Lewis acid site (exposed Ti(n+) cations) on the TiO2 surface, but YNI-1 is predominantly adsorbed on the TiO2 electrode through the formation of the hydrogen bond between the pyridyl group of the dye and the Brønsted acid sites (surface-bound hydroxyl groups, Ti-OH) on the TiO2 surface. The difference in the dye-adsorption mode among the three dyes on the TiO2 surface has been investigated from the adsorption equilibrium constant (Kad) based on the Langmuir adsorption isotherms. It was found that the Kad values of YNI-1 and YNI-2 are higher than that of NI-4, and more interestingly, the Kad value of YNI-2 is higher than that of YNI-1. This work demonstrates that that for the D-π-A dye sensitizers with the pyridyl group as the anchoring group to the TiO2 surface the number of pyridyl groups and the dye-adsorption mode on the TiO2 electrode as well as the molecular structure of the dye sensitizer affect the Kad value for the adsorption of the dye to the TiO2 electrode, that is, resulting in a difference in the Kad value among the D-π-A dye sensitizers NI-4, YNI-1 and YNI-2.

  20. Shock-wave compression of silica gel as a model material for comets

    Science.gov (United States)

    Arasuna, Akane; Okuno, Masayuki; Chen, Liliang; Mashimo, Tsutomu; Okudera, Hiroki; Mizukami, Tomoyuki; Arai, Shoji

    2016-07-01

    A shock-wave compression experiment using synthesized silica gel was investigated as a model for a comet impact event on the Earth's surface. The sample shocked at 20.7 GPa showed considerable structural changes, a release of water molecules, and the dehydration of silanol (Si-OH) that led to the formation of a new Si-O-Si network structure containing larger rings (e.g., six-membered ring of SiO4 tetrahedra). The high aftershock temperature at 20.7 GPa, which could be close to 800 °C, influenced the sample structure. However, some silanols, which were presumed to be the mutually hydrogen-bonded silanol group, remained at pressures >20.7 GPa. This type of silanol along with a small number of water molecules may remain even after shock compression at 30.9 GPa, although the intermediate structure of the sample recovered was similar to that of silica glass.

  1. Lie group analysis of flow and heat transfer of non-Newtonian nanofluid over a stretching surface with convective boundary condition

    Science.gov (United States)

    Afify, Ahmed A.; El-Aziz, Mohamed Abd

    2017-02-01

    The steady two-dimensional flow and heat transfer of a non-Newtonian power-law nanofluid over a stretching surface under convective boundary conditions and temperature-dependent fluid viscosity has been numerically investigated. The power-law rheology is adopted to describe non-Newtonian characteristics of the flow. Four different types of nanoparticles, namely copper (Cu), silver (Ag), alumina (Al 2 O 3) and titanium oxide (TiO 2) are considered by using sodium alginate (SA) as the base non-Newtonian fluid. Lie symmetry group transformations are used to convert the boundary layer equations into non-linear ordinary differential equations. The transformed equations are solved numerically by using a shooting method with fourth-order Runge-Kutta integration scheme. The results show that the effect of viscosity on the heat transfer rate is remarkable only for relatively strong convective heating. Moreover, the skin friction coefficient and the rate of heat transfer increase with an increase in Biot number.

  2. Synthesis of MOF having hydroxyl functional side groups and optimization of activation process for the maximization of its BET surface area

    Science.gov (United States)

    Kim, Jongsik; Kim, Dong Ok; Kim, Dong Wook; Sagong, Kil

    2013-01-01

    To accomplish the postsynthetic modification of MOF with organic-metal precursors (OMPs) described in our previous researches more efficiently, synthesis of MOF (HCC-2) possessing relatively larger pore size as well as higher number of hydroxyl functional side groups per its base unit than those of HCC-1 has been successfully conducted via adopting 1,4-di-(4-carboxy-2,6-dihydroxyphenyl)benzene as an organic ligand and Zn(NO3)2·6H2O as a metal source, respectively. Also, optimization about the Activation process of HCC-2 was performed to maximize its BET (Brunauer-Emmett-Teller) surface area which was proved to be proportional to the number of exposed active sites on which its postsynthetic modification occurred. However, Activation process having been validated to be so effective with the acquirement of highly-purified HCC-1 (CO2 supercritical drying step followed by vacuum drying step) was less satisfactory with the case of HCC-2. This might be attributed to relatively higher hydrophilicity and bulkier molecular structure of organic ligand of HCC-2. However, it was readily settled by simple modification of above Activation process. Moreover, indispensable residues composed of both DMF and its thermally degraded derivatives which were chemically attached via coordination bond with hydroxyl functionalities even after Activation process III might enable their H2 adsorption properties to be seriously debased compared to that of IRMOF-16 having no hydroxyl functionalities.

  3. Lie group analysis of flow and heat transfer of non-Newtonian nanofluid over a stretching surface with convective boundary condition

    Indian Academy of Sciences (India)

    AHMED A AFIFY; MOHAMED ABD EL-AZIZ

    2017-02-01

    The steady two-dimensional flow and heat transfer of a non-Newtonian power-law nanofluid over a stretching surface under convective boundary conditions and temperature-dependent fluid viscosity has been numerically investigated. The power-law rheology is adopted to describe non-Newtonian characteristics of the flow. Four different types of nanoparticles, namely copper (Cu), silver (Ag), alumina (Al$_2$O$_3$) and titanium oxide (TiO$_2$) are considered by using sodium alginate (SA) as the base non-Newtonian fluid. Lie symmetry group transformations are used to convert the boundary layer equations into non-linear ordinary differential equations. The transformed equations are solved numerically by using a shooting method with fourth-order Runge–Kutta integration scheme. The results show that the effect of viscosity on the heat transfer rate is remarkable only for relatively strong convective heating. Moreover, the skin friction coefficient and the rate of heat transfer increasewith an increase in Biot number.

  4. Differences in the Activities of Eight Enzymes from Ten Soil Fungi and Their Possible Influences on the Surface Structure, Functional Groups, and Element Composition of Soil Colloids

    Science.gov (United States)

    Wang, Wenjie; Li, Yanhong; Wang, Huimei; Zu, Yuangang

    2014-01-01

    How soil fungi function in soil carbon and nutrient cycling is not well understood by using fungal enzymatic differences and their interactions with soil colloids. Eight extracellular enzymes, EEAs (chitinase, carboxymethyl cellulase, β-glucosidase, protease, acid phosphatase, polyphenol oxidase, laccase, and guaiacol oxidase) secreted by ten fungi were compared, and then the fungi that showed low and high enzymatic activity were co-cultured with soil colloids for the purpose of finding fungi-soil interactions. Some fungi (Gomphidius rutilus, Russula integra, Pholiota adiposa, and Geastrum mammosum) secreted 3–4 enzymes with weak activities, while others (Cyathus striatus, Suillus granulate, Phallus impudicus, Collybia dryophila, Agaricus sylvicola, and Lactarius deliciosus) could secret over 5 enzymes with high activities. The differences in these fungi contributed to the alterations of functional groups (stretching bands of O-H, N-H, C-H, C = O, COO- decreased by 11–60%, while P = O, C-O stretching, O-H bending and Si-O-Si stretching increased 9–22%), surface appearance (disappearance of adhesive organic materials), and elemental compositions (11–49% decreases in C1s) in soil colloids. Moreover, more evident changes were generally in high enzymatic fungi (C. striatus) compared with low enzymatic fungi (G. rutilus). Our findings indicate that inter-fungi differences in EEA types and activities might be responsible for physical and chemical changes in soil colloids (the most active component of soil matrix), highlighting the important roles of soil fungi in soil nutrient cycling and functional maintenance. PMID:25398013

  5. Differences in the activities of eight enzymes from ten soil fungi and their possible influences on the surface structure, functional groups, and element composition of soil colloids.

    Science.gov (United States)

    Wang, Wenjie; Li, Yanhong; Wang, Huimei; Zu, Yuangang

    2014-01-01

    How soil fungi function in soil carbon and nutrient cycling is not well understood by using fungal enzymatic differences and their interactions with soil colloids. Eight extracellular enzymes, EEAs (chitinase, carboxymethyl cellulase, β-glucosidase, protease, acid phosphatase, polyphenol oxidase, laccase, and guaiacol oxidase) secreted by ten fungi were compared, and then the fungi that showed low and high enzymatic activity were co-cultured with soil colloids for the purpose of finding fungi-soil interactions. Some fungi (Gomphidius rutilus, Russula integra, Pholiota adiposa, and Geastrum mammosum) secreted 3-4 enzymes with weak activities, while others (Cyathus striatus, Suillus granulate, Phallus impudicus, Collybia dryophila, Agaricus sylvicola, and Lactarius deliciosus) could secret over 5 enzymes with high activities. The differences in these fungi contributed to the alterations of functional groups (stretching bands of O-H, N-H, C-H, C = O, COO- decreased by 11-60%, while P = O, C-O stretching, O-H bending and Si-O-Si stretching increased 9-22%), surface appearance (disappearance of adhesive organic materials), and elemental compositions (11-49% decreases in C1s) in soil colloids. Moreover, more evident changes were generally in high enzymatic fungi (C. striatus) compared with low enzymatic fungi (G. rutilus). Our findings indicate that inter-fungi differences in EEA types and activities might be responsible for physical and chemical changes in soil colloids (the most active component of soil matrix), highlighting the important roles of soil fungi in soil nutrient cycling and functional maintenance.

  6. The location of redox-sensitive groups in the carrier protein of proline at the outer and inner surface of the membrane in Escherichia coli

    NARCIS (Netherlands)

    Poolman, Bert; Konings, Wil N.; Robillard, George T.

    1983-01-01

    Evidence is presented in this report for the presence of two sets of dithiols associated with proline transport activity in Escherichia coli. One set is located at the outer surface, the other at the inner surface of the cytoplasmic membrane. Treatment of right-side-out membrane vesicles from E. col

  7. Towards a full understanding of the nature of Ni(II) species and hydroxyl groups over highly siliceous HZSM-5 zeolite supported nickel catalysts prepared by a deposition-precipitation method.

    Science.gov (United States)

    Chen, Bao-Hui; Chao, Zi-Sheng; He, Hao; Huang, Chen; Liu, Ya-Juan; Yi, Wen-Jun; Wei, Xue-Ling; An, Jun-Fang

    2016-02-14

    Highly siliceous HZSM-5 zeolite supported nickel catalysts prepared by a deposition-precipitation (D-P) method were characterized by Fourier transform infrared (FT-IR), hydrogen temperature programmed reduction (H2-TPR), X-ray diffraction (XRD), N2-absorption/desorption, field emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS), and (27)Al magic-angle nuclear magnetic resonance (MAS NMR) techniques. The results showed that the D-P of nickel species occurred predominantly on the internal surface of highly siliceous HZSM-5 zeolite, in which the internal silanol groups located on the hydroxylated mesopores or nanocavities played a key role. During the D-P process, nickel hydroxide was first deposited-precipitated via olation/polymerization of neutral hydroxoaqua nickel species over the HZSM-5 zeolite. With the progress of the D-P process, 1 : 1 nickel phyllosilicate was formed over the HZSM-5 via the hetero-condensation/polymerization between charged hydroxoaqua nickel species and monomer silicic species generated due to the partial dissolution of the HZSM-5 framework. The 1 : 1 nickel phyllosilicate could also be generated via the hydrolytic adsorption of hydroxoaqua nickel species and their subsequent olation condensation. After calcination, the deposited-precipitated nickel hydroxide was decomposed into nickel oxide, while the 1 : 1 nickel phyllosilicate was transformed into 2 : 1 nickel phyllosilicate. According to the above mechanism, Ni(ii) species were present both in the form of nickel oxide and 2 : 1 nickel phyllosilicate, which were mutually separated from each other, being highly dispersed over HZSM-5 zeolite.

  8. Orientation control of photo-immobilized antibodies on the surface of azobenzene-containing polymers by the introduction of functional groups.

    Science.gov (United States)

    Mouri, Makoto; Ikawa, Taiji; Narita, Mamiko; Hoshino, Fumihiko; Watanabe, Osamu

    2010-06-11

    In our photo-induced immobilization technique for an antibody (IgG) using azopolymers, the introduction of COOH and NMe(2) into the azopolymers, which can introduce surface charges, strongly affected the immobilization properties such as the efficiency of immobilization and the activity of the immobilized IgG (i.e., the orientation of the immobilized IgG). The introduction of COOH promoted a more active orientation of the immobilized IgG. The orientation was determined during the adsorption process onto the azopolymer surface in solution before photo-immobilization, and was maintained during the photo-immobilization. The surface charge of the azopolymer appears to be an important factor for IgG orientation, which involves electrostatic interactions between its Fab and the azopolymer surface.

  9. Area G perimeter surface-soil and single-stage water sampling: Environmental surveillance for fiscal year 94, Group ESH-19. Progress report

    Energy Technology Data Exchange (ETDEWEB)

    Conrad, R.; Childs, M.; Lyons, C.R.; Coriz, F.

    1996-08-01

    ESH-19 personnel collected soil and single-stage water samples around the perimeter of Area G at Los Alamos National Laboratory during FY94 to characterize possible contaminant movement out of Area G through surface-water and sediment runoff. These samples were analyzed for tritium, total uranium, isotopic plutonium, americium-241, and cesium-137. Ten metals were also analyzed on selected soils using analytical laboratory techniques. All radiochemical data are compared with analogous samples collected during FY 93 and reported in LA-12986. Baseline concentrations for future disposal operations were established for metals and radionuclides by a sampling program in the proposed Area G Expansion Area. Considering the amount of radioactive waste that has been disposed at Area G, there is evidence of only low concentrations of radionuclides on perimeter surface soils. Consequently, little radioactivity is leaving the confines of Area G via the surface water runoff pathway.

  10. Dissociation of acetaldehyde on beta-Mo2C to yield ethylidene and oxo surface groups: a possible pathway for active site formation in heterogeneous olefin metathesis.

    Science.gov (United States)

    Siaj, Mohamed; Reed, Corey; Oyama, S Ted; Scott, Susannah L; McBreen, Peter H

    2004-08-11

    The dissociative adsorption of acetaldehyde on beta-Mo2C was studied using reflection absorption infrared spectroscopy. In contrast to what is observed for all metals previously studied, acetaldehyde undergoes selective carbonyl bond scission on the carbide surface. By comparison to calculated spectra, the surface product is identified as an oxo-ethylidene species. The study thus provides the first extended-range infrared spectrum of a propene metathesis initiator or propagator alkylidene. Aldehydes may be formed in the presence of olefins during the induction period of supported metal oxide olefin metathesis catalysts. Hence, the observed dissociative chemisorption of acetaldehyde suggests a possible answer to the question of how initiator sites are formed in heterogeneous olefin metathesis. This question has never been satisfactorily answered. In the proposed mechanism, aldehydes formed during the induction period subsequently react with the catalyst surface to generate alkylidene sites.

  11. A grafting from approach to graft polystyrene chains at the surface of graphene nanolayers by RAFT polymerization: Various graft densities from hydroxyl groups

    Energy Technology Data Exchange (ETDEWEB)

    Roghani-Mamaqani, Hossein, E-mail: r.mamaghani@sut.ac.ir [Department of Polymer Engineering, Sahand University of Technology, PO Box 51335-1996, Tabriz (Iran, Islamic Republic of); Khezri, Khezrollah [School of Chemistry, University College of Science, University of Tehran, PO Box 14155-6455, Tehran (Iran, Islamic Republic of)

    2016-01-01

    Graphical abstract: (3-Aminopropyl) triethoxysilane was grafted at the surface of GO in low and high different graft densities to yield GOHAL and GOHAH, respectively. Subsequently, 2-(dodecylthiocarbonothioylthio)-2-methylpropionic acid (RA) was attached at the surface of GOHAL and GOHAH by an amidation reaction to yield GOHRL and GOHRH, respectively. Then, GOHRL and GOHRH were used in grafting from RAFT polymerization of styrene. - Highlights: • A RAFT agent grafted GO was used in grafting from RAFT polymerization of styrene. • The efficiency of RAFT agent attachment at the surface of GO is 41.12% for high density sample. • Polystyrene molecular weight is decreased by the addition of graphene content and also graft density of RAFT agent. - Abstract: (3-Aminopropyl) triethoxysilane was grafted at the surface of GO in low and high different graft densities to yield GOHAL and GOHAH, respectively. Subsequently, 2-(dodecylthiocarbonothioylthio)-2-methylpropionic acid (RA) was attached at the surface of GOHAL and GOHAH by an amidation reaction to yield GOHRL and GOHRH, respectively. Then, GOHRL and GOHRH were used in grafting from RAFT polymerization of styrene. Grafting of APTES and RA was approved by Fourier transform infrared spectroscopy, X-ray photo electron spectroscopy, and Raman spectroscopy. Expansion of graphene interlayer by oxidation and functionalization processes was evaluated by X-ray diffraction. Conversion values of styrene were calculated using gas chromatography. Molecular weight and PDI values of attached polystyrene (PS) chains were studied by size exclusion chromatography. Thermogravimetric analysis was also used to investigate the degradation temperatures, char contents, and graft contents of modifiers and PS chains. GOHRH and GOHRL reach to char content of 55.3 and 45.2% at 600 °C, which shows that weight ratio of modifier (APTES and RA moieties) is 15.3 and 5.2%, respectively. Scanning and transmission electron microscopies show that

  12. Outer automorphism groups of certain 1-relator groups

    Institute of Scientific and Technical Information of China (English)

    KIM; Goansu

    2010-01-01

    Grossman first showed that outer automorphism groups of 1-relator groups given by orientable surface groups are residually finite,whence mapping class groups of orientable surfaces are residually finite.Allenby,Kim and Tang showed that outer automorphism groups of cyclically pinched 1-relator groups are residually finite,whence mapping class groups of orientable and non-orientable surfaces are residually finite.In this paper we show that outer automorphism groups of certain conjugacy separable 1-relator groups are residually finite.

  13. Development of an efficient amine-functionalized glass platform by additional silanization treatment with alkylsilane.

    Science.gov (United States)

    Kamisetty, Nagendra Kumar; Pack, Seung Pil; Nonogawa, Mitsuru; Devarayapalli, Kamakshaiah Charyulu; Kodaki, Tsutomu; Makino, Keisuke

    2006-11-01

    Aminosilane-treated molecular layers on glass surfaces are frequently used as functional platforms for biosensor preparation. All the amino groups present on the surface are not available in reactive forms, because surface amino groups interact with remaining unreacted surface silanol groups. Such nonspecific interactions might reduce the efficiency of chemical immobilization of biomolecules such as DNA, enzymes, antibodies, etc., in biosensor fabrication. To improve immobilization efficiency we have used additional surface silanization with alkylsilane (capping) to convert the remaining silanol groups into Si-O-Si linkages, thereby liberating the amino groups from nonspecific interaction with the silanol groups. We prepared different types of capped amine surface and evaluated the effect of capping on immobilization efficiency by investigating the fluorescence intensity of Cy3-NHS (N-hydroxysuccinimide) dye that reacted with amino groups. The results indicate that most of the capped amine surfaces resulted in enhanced efficiency of immobilization of Cy3-NHS compared with the untreated control amine surface. We found a trend that trialkoxysilanes had greater capping effects on immobilization efficiency than monoalkoxysilanes. It was also found that the aliphatic chain of alkylsilane, which does not participate in the capping of the silanol, had an important function in enhancing immobilization efficiency. These results would be useful for preparation of an amine-modified surface platform, with enhanced immobilization efficiency, which is essential for developing many kinds of biosensors on a silica matrix.

  14. Improved blood compatibility of segmented polyurethane by polymeric additives having phospholipid polar group. II. Dispersion state of the polymeric additive and protein adsorption on the surface.

    Science.gov (United States)

    Ishihara, K; Shibata, N; Tanaka, S; Iwasaki, Y; Kurosaki, T; Nakabayashi, N

    1996-11-01

    To improve the blood compatibility of a segmented polyurethane (SPU), phospholipid polymer, i.e., 2-methacryloyloxyethyl phosphorylcholine (MPC) copolymerized with cyclohexyl methacrylate or 2-ethylhexyl methacrylate, was blended into SPU as a polymeric additive. The blending was achieved by a solvent-evaporation technique from a homogeneous solution containing both the SPU and the MPC polymer. Surface analysis of the SPU membrane blended with the MPC polymer (SPU/MPC polymer membrane) revealed that the MPC polymer was concentrated at the surface of the SPU membrane which contacted the substrate, Teflon, compared with that which contacted air during the membrane-formation period. The dispersion state of the MPC polymer in the SPU membrane was evaluated in detail by staining the MPC unit with osmium tetraoxide. When sonication was applied during preparation of the mixed solution containing SPU and the MPC polymer, the dispersion of the MPC polymer in the SPU membrane was different from that without sonication. That is, the size of the domains of the MPC polymer became smaller but the number of the domains increased. The amount of the MPC polymer mixed with SPU affected the dispersion state. Plasma proteins adsorbed on the SPU/MPC polymer membrane surface after contact with human plasma were detected by gold-colloid-labeled immunoassay. Both albumin and fibrinogen were observed on the SPU membrane; however, the amount of these proteins was reduced on the SPU/MPC polymer membrane. Thus it was concluded that the blood compatibility of the SPU was effectively improved by the blending of the MPC polymer.

  15. Sol-gel approach to in situ creation of high pH-resistant surface-bonded organic-inorganic hybrid zirconia coating for capillary microextraction (in-tube SPME).

    Science.gov (United States)

    Alhooshani, Khalid; Kim, Tae-Young; Kabir, Abuzar; Malik, Abdul

    2005-01-07

    A novel zirconia-based hybrid organic-inorganic sol-gel coating was developed for capillary microextraction (CME) (in-tube SPME). High degree of chemical inertness inherent in zirconia makes it very difficult to covalently bind a suitable organic ligand to its surface. In the present work, this problem was addressed from a sol-gel chemistry point of view. Principles of sol-gel chemistry were employed to chemically bind a hydroxy-terminated silicone polymer (polydimethyldiphenylsiloxane, PDMDPS) to a sol-gel zirconia network in the course of its evolution from a highly reactive alkoxide precursor undergoing controlled hydrolytic polycondensation reactions. A fused silica capillary was filled with a properly designed sol solution to allow for the sol-gel reactions to take place within the capillary for a predetermined period of time (typically 15-30 min). In the course of this process, a layer of the evolving hybrid organic-inorganic sol-gel polymer got chemically anchored to the silanol groups on the capillary inner walls via condensation reaction. At the end of this in-capillary residence time, the unbonded part of the sol solution was expelled from the capillary under helium pressure, leaving behind a chemically bonded sol-gel zirconia-PDMDPS coating on the inner walls. Polycyclic aromatic hydrocarbons, ketones, and aldehydes were efficiently extracted and preconcentrated from dilute aqueous samples using sol-gel zirconia-PDMDPS coated capillaries followed by thermal desorption and GC analysis of the extracted solutes. The newly developed sol-gel hybrid zirconia coatings demonstrated excellent pH stability, and retained the extraction characteristics intact even after continuous rinsing with a 0.1 M NaOH solution for 24 h. To our knowledge, this is the first report on the use of a sol-gel zirconia-based hybrid organic-inorganic coating as an extraction medium in solid phase microextraction (SPME).

  16. Tuning of the vinyl groups' spacing at surface of modified silica in preparation of high density imprinted layer-coated silica nanoparticles: a dispersive solid-phase extraction materials for chlorpyrifos.

    Science.gov (United States)

    Lu, Qing; Chen, Xuemei; Nie, Li; Luo, Jing; Jiang, Huijun; Chen, Lina; Hu, Qin; Du, Shuhu; Zhang, Zhongping

    2010-05-15

    This paper reports the preparation of high density imprinted layer-coated silica nanoparticles toward selective recognition and fast enrichment of chlorpyrifos (CP) from complicated matrices. The molecularly imprinted polymers (MIPs) were successfully coated at the surface of modified silica through using the chemical immovable vinyl groups at the nanoparticles' surface, followed by the graft copolymerization of methacrylic acid (MAA) and ethylene glycol dimethacrylate (EGDMA) in the presence of templates CP. It has been demonstrated that the space of end vinyl groups at the surface of silica can be controlled by changing the condition of chemical modification, regulating the thickness of imprinted shells and the density of efficient imprinted sites. After removal of templates by solvent extraction, the recognition sites of CP were created in the polymer coating layer. The CP-imprinted nanoparticles exhibited high recognition selectivity and binding affinity to CP analyte. When the CP-imprinted nanoparticles were used as dispersive solid-phase extraction (dSPE) materials, the high recovery yields of 76.1-93.5% from various spiked samples with only 1microg/mL analyte were achieved by one-step extraction. These results reported herein provide the possibility for the separation and enrichment of CP from complicated matrices by the molecular imprinting modification at the surface of common silica nanoparticles.

  17. Spherical Surfaces

    DEFF Research Database (Denmark)

    Brander, David

    2015-01-01

    We study surfaces of constant positive Gauss curvature in Euclidean 3-space via the harmonicity of the Gauss map. Using the loop group representation, we solve the regular and the singular geometric Cauchy problems for these surfaces, and use these solutions to compute several new examples. We gi...

  18. Performance of the TPSS Functional on Predicting Core Level Binding Energies of Main Group Elements Containing Molecules: A Good Choice for Molecules Adsorbed on Metal Surfaces.

    Science.gov (United States)

    Pueyo Bellafont, Noèlia; Viñes, Francesc; Illas, Francesc

    2016-01-12

    Here we explored the performance of Hartree-Fock (HF), Perdew-Burke-Ernzerhof (PBE), and Tao-Perdew-Staroverov-Scuseria (TPSS) functionals in predicting core level 1s binding energies (BEs) and BE shifts (ΔBEs) for a large set of 68 molecules containing a wide variety of functional groups for main group elements B → F and considering up to 185 core levels. A statistical analysis comparing with X-ray photoelectron spectroscopy (XPS) experiments shows that BEs estimations are very accurate, TPSS exhibiting the best performance. Considering ΔBEs, the three methods yield very similar and excellent results, with mean absolute deviations of ∼0.25 eV. When considering relativistic effects, BEs deviations drop approaching experimental values. So, the largest mean percentage deviation is of 0.25% only. Linear trends among experimental and estimated values have been found, gaining offsets with respect to ideality. By adding relativistic effects to offsets, HF and TPSS methods underestimate experimental values by solely 0.11 and 0.05 eV, respectively, well within XPS chemical precision. TPSS is posed as an excellent choice for the characterization, by XPS, of molecules on metal solid substrates, given its suitability in describing metal substrates bonds and atomic and/or molecular orbitals.

  19. Invited: Tailoring Platinum Group Metals Towards Optimal Activity for Oxygen Electroreduction to H2o and H2O2: From Extended Surfaces to Nanoparticles

    DEFF Research Database (Denmark)

    Stephens, Ifan

    2014-01-01

    demonstrated the very high activity of Pt3Y and Pt5Gd on extended polycrystalline surfaces. However, we have more recently shown that model, size-selected nanoparticles of PtxY exhibit up to 3 Ag-1at 0.9 V. These promising results provide a strong impetus towards the large scale synthesis of these catalysts...... a catalyst that is active, stable and selective for H2O2 production. We recently discovered a set of electrocatalysts that showed an unprecedented combination of all three of these desired properties: alloys of Pt, Ag or Pd with Hg.(10, 11) I will present data collected a wide range of different methods...... ). The figure shows transmission electron miscroscopy images of 9 nm diameter PtxY nanoparticles, based on high angle annular dark field –scanning transmission electron microscopy (left) and Y, Pt and combined Pt+Y X-ray energy dispersive X-ray spectroscopy elemental maps. (a) as-prepared catalyst and (b) after...

  20. Surface Engineering of PAMAM-SDB Chelating Resin with Diglycolamic Acid (DGA) Functional Group for Efficient Sorption of U(VI) and Th(IV) from Aqueous Medium

    Energy Technology Data Exchange (ETDEWEB)

    Ilaiyaraja, P.; Venkatraman, B., E-mail: chemila07@gmail.com [Radiological Safety Division, Indira Gandhi Centre for Atomic Research, Kalpakkam (India); Deb, A.K. Singha [Chemical Engineering Division, Bhabha Atomic Research Centre, Mumbai (India); Ponraju, D. [Safety Engineering Division, Indira Gandhi Centre for Atomic Research, Kalpakkam (India); Ali, Sk. Musharaf [Chemical Engineering Division, Bhabha Atomic Research Centre, Mumbai (India)

    2017-04-15

    Highlights: • A new DGA-PAMAM-SDB chelating resin has been synthesized for actinide sorption. • Maximum sorption capacities of resin are 682 and 544.2 mg g{sup −1}for U(VI) and Th(IV). • DGA-PAMAM-SDB chelating resin could be regenerated and reused. • DFT calculation of actinides interaction with resin corroborates the experimental. • Resin is effective for sorption of actinides from both aqueous and HNO{sub 3} medium. - Abstract: A novel chelating resin obtained via growth of PAMAM dendron on surface of styrene divinyl benzene resin beads, followed by diglycolamic acid functionalization of the dendrimer terminal. Batch experiments were conducted to study the effects of pH, nitric acid concentration, amount of adsorbent, shaking time, initial metal ion concentration and temperature on U(VI) and Th(IV) adsorption efficiency. Diglycolamic acid terminated PAMAM dendrimer functionalized styrene divinylbenzene chelating resin (DGA-PAMAM-SDB) is found to be an efficient candidate for the removal of U(VI) and Th(IV) ions from aqueous (pH > 4) and nitric acid media (> 3 M). The sorption equilibrium could be reached within 60 min, and the experimental data fits with pseudo-second-order model. Langmuir sorption isotherm model correlates well with sorption equilibrium data. The maximum U(VI) and Th(IV) sorption capacity onto DGA-PAMAMG{sub 5}-SDB was estimated to be about 682 and 544.2 mg g{sup −1} respectively at 25 °C. The interaction of actinides and chelating resin is reversible and hence, the resin can be regenerated and reused. DFT calculation on the interaction of U(VI) and Th(IV) ions with chelating resin validates the experimental findings.

  1. Oligomerization of glycine on clay mineral surface and implication to oligin of life under seafloor hydrothermal conditions

    Science.gov (United States)

    Fuchida, S.; Masuda, H.

    2012-12-01

    The sediments at hydrothermal and/or various parts of the crust has been believed to be good environments to proceed the chemical evolution of life precursor, since minerals promoted oligomerization of amino acids, sugars and lipids on the primitive earth. In this study, the thermal behaviors of glycine (Gly), the simplest amino acid, adsorbed on montmorillonite was observed to evaluate the role of clay minerals and water on the oligomerization under thermal condition of sediments. Gly was adsorbed on montmorillonite was heated at 150 degree C for 3-288 hrs under dry and wet condition. In the latter case, 10 - 60% water was added in the system. The amount of Gly monomer remaining in the montmorillonite exponentially decreased with time; 46% Gly remained in the montmorillonite under dry condition and 74% under wet condition after 288 hrs. The Gly monomer was more stable under hydrothermal condition than dry thermal condtion. FT-IR analysis suggested that the Gly was intercalated in the montmorillonite via hydrogen bond, which is likely to promote to stabilize Gly, between amino group of the Gly and silanol group of the montmorillonite. On the contrast, the yields of peptides were low on motmorillonite after heated under the wet condition: the amounts of glycilglycine (Gly-Gly) and diketopiperazine (DKP) are 0.8% and 0.9%, respectively. The amounts of DKP and GlyGly are 12.9% and 4.8% after heated under the dry condtion. Excessive water would promote to hydrolyze synthesized peptides. New band at 1671cm-1 by FT-IR implies that DKP was condensed on the montmorillonite. DKP was not formed without montmorillonite under the dry condition, although peptide formation is theoretically favorable. Water molecules including in the montmorillonite would act as proton transfer to promote the peptide formation. The peptide formation would be more proceeded under a little wet condition than completely dry condition. Results of this study suggested that deep sediments, where

  2. Simultaneous detection of forbidden chemical residues in milk using dual-label time-resolved reverse competitive chemiluminescent immunoassay based on amine group functionalized surface.

    Directory of Open Access Journals (Sweden)

    Dongdong Zhang

    Full Text Available In this study, a sensitive dual-label time-resolved reverse competitive chemiluminescent immunoassay was developed for simultaneous detection of chloramphenicol (CAP and clenbuterol (CLE in milk. The strategy was performed based on the distinction of the kinetic characteristics of horseradish peroxidase (HRP and alkaline phosphatase (ALP in chemiluminesecence (CL systems and different orders of magnitude in HRP CL value for CAP and ALP CL value for CLE in the chemiluminescent immunoassay. Capture antibodies were covalently bound to the amine group functionalized chemiluminescent microtiter plate (MTP for efficient binding of detection antibodies for the enzymes labeled CAP (HRP-CAP and CLE (ALP-CLE. The CL signals were recorded at different time points by the automatic luminometers with significant distinction in the dynamic curves. When we considered the ALP CL value (about 10(5 of CLE as background for HRP CL signal value (about 10(7 of CAP, there was no interaction from ALP CL background of CLE and the differentiation of CAP and CLE can be easily achieved. The 50% inhibition concentration (IC50 values of CAP and CLE in milk samples were 0.00501 µg L(-1 and 0.0128 µg L(-1, with the ranges from 0.0003 µg L(-1 to 0.0912 µg L(-1 and from 0.00385 µg L(-1 to 0.125 µg L(-1, respectively. The developed method is more sensitive and of less duration than the commercial ELISA kits, suitable for simultaneous screening of CAP and CLE.

  3. Group X

    Energy Technology Data Exchange (ETDEWEB)

    Fields, Susannah

    2007-08-16

    This project is currently under contract for research through the Department of Homeland Security until 2011. The group I was responsible for studying has to remain confidential so as not to affect the current project. All dates, reference links and authors, and other distinguishing characteristics of the original group have been removed from this report. All references to the name of this group or the individual splinter groups has been changed to 'Group X'. I have been collecting texts from a variety of sources intended for the use of recruiting and radicalizing members for Group X splinter groups for the purpose of researching the motivation and intent of leaders of those groups and their influence over the likelihood of group radicalization. This work included visiting many Group X websites to find information on splinter group leaders and finding their statements to new and old members. This proved difficult because the splinter groups of Group X are united in beliefs, but differ in public opinion. They are eager to tear each other down, prove their superiority, and yet remain anonymous. After a few weeks of intense searching, a list of eight recruiting texts and eight radicalizing texts from a variety of Group X leaders were compiled.

  4. Surface localization of high-mobility group nucleosome-binding protein 2 on leukemic B cells from patients with chronic lymphocytic leukemia is related to secondary autoimmune hemolytic anemia.

    Science.gov (United States)

    Morande, Pablo E; Borge, Mercedes; Abreu, Cecilia; Galletti, Jeremías; Zanetti, Samanta R; Nannini, Paula; Bezares, Raimundo F; Pantano, Sergio; Dighiero, Guillermo; Oppezzo, Pablo; Gamberale, Romina; Giordano, Mirta

    2015-04-01

    Chronic lymphocytic leukemia (CLL) is the main cause of autoimmune hemolytic anemia (AHA). However, the cellular basis underlying this strong association remains unclear. We previously demonstrated that leukemic B cells from patients with CLL recognize the erythrocyte protein Band 3, a prevalent autoantigen in AHA. Here we show that the major binding site of Band 3 on leukemic cells is an extrinsic protein identified as high-mobility group nucleosome binding protein 2 (HMGN2), a nucleosome-interacting factor which has not been previously reported at the cell surface. T lymphocytes do not express HMGN2 or bind Band 3. Removal of HMGN2 from the cell membrane abrogated the capacity of Band 3-pulsed CLL cells to induce CD4 + T cell proliferation. We conclude that surface HMGN2 in leukemic B cells is involved in Band 3 binding, uptake and presentation to CD4 + T lymphocytes, and as such may favor the initiation of AHA secondary to CLL.

  5. Grouped exposed metal heaters

    Energy Technology Data Exchange (ETDEWEB)

    Vinegar, Harold J [Bellaire, TX; Coit, William George [Bellaire, TX; Griffin, Peter Terry [Brixham, GB; Hamilton, Paul Taylor [Houston, TX; Hsu, Chia-Fu [Granada Hills, CA; Mason, Stanley Leroy [Allen, TX; Samuel, Allan James [Kular Lumpar, ML; Watkins, Ronnie Wade [Cypress, TX

    2012-07-31

    A system for treating a hydrocarbon containing formation is described. The system includes two or more groups of elongated heaters. The group includes two or more heaters placed in two or more openings in the formation. The heaters in the group are electrically coupled below the surface of the formation. The openings include at least partially uncased wellbores in a hydrocarbon layer of the formation. The groups are electrically configured such that current flow through the formation between at least two groups is inhibited. The heaters are configured to provide heat to the formation.

  6. Grouped exposed metal heaters

    Energy Technology Data Exchange (ETDEWEB)

    Vinegar, Harold J. (Bellaire, TX); Coit, William George (Bellaire, TX); Griffin, Peter Terry (Brixham, GB); Hamilton, Paul Taylor (Houston, TX); Hsu, Chia-Fu (Granada Hills, CA); Mason, Stanley Leroy (Allen, TX); Samuel, Allan James (Kular Lumpar, MY); Watkins, Ronnie Wade (Cypress, TX)

    2010-11-09

    A system for treating a hydrocarbon containing formation is described. The system includes two or more groups of elongated heaters. The group includes two or more heaters placed in two or more openings in the formation. The heaters in the group are electrically coupled below the surface of the formation. The openings include at least partially uncased wellbores in a hydrocarbon layer of the formation. The groups are electrically configured such that current flow through the formation between at least two groups is inhibited. The heaters are configured to provide heat to the formation.

  7. Group morphology

    NARCIS (Netherlands)

    Roerdink, Jos B.T.M.

    2000-01-01

    In its original form, mathematical morphology is a theory of binary image transformations which are invariant under the group of Euclidean translations. This paper surveys and extends constructions of morphological operators which are invariant under a more general group TT, such as the motion group

  8. A silica-supported double-decker silsesquioxane provides a second skin for the selective generation of bipodal surface organometallic complexes

    KAUST Repository

    Espinas, Jeff

    2012-11-12

    A well-defined silica-based material with a homogeneous nanolayer presenting identical pairs of vicinal silanols has been prepared by reaction of the surface organometallic species [≡SiOZr(CH 2CMe 3) 3], obtained on a silica dehydroxylated at 900 °C, with the double-decker-shaped silsesquioxane (OH) 2DD(OH) 2. The surface structure has been established using extensive NMR characterization ( 1H, 13C, 29Si, HETCOR, double-quantum, triple-quantum). Treatment with Zr(CH 2CMe 3) 4 leads to the first well-defined single-site bipodal grafted bis-neopentyl zirconium complex. © 2012 American Chemical Society.

  9. Surface Modification of Fillers and Curatives by Plasma Polymerization for Enhanced Performance of Single Rubbers and Dissimilar Rubber/Rubber Blends

    Science.gov (United States)

    Noordermeer, J. W. M.; Datta, R. N.; Dierkes, W. K.; Guo, R.; Mathew, T.; Talma, A. G.; Tiwari, M.; van Ooij, W.

    Plasma polymerization is a technique for modifying the surface characteristics of fillers and curatives for rubber from essentially polar to nonpolar. Acetylene, thiophene, and pyrrole are employed to modify silica and carbon black reinforcing fillers. Silica is easy to modify because its surface contains siloxane and silanol species. On carbon black, only a limited amount of plasma deposition takes place, due to its nonreactive nature. Oxidized gas blacks, with larger oxygen functionality, and particularly carbon black left over from fullerene production, show substantial plasma deposition. Also, carbon/silica dual-phase fillers react well because the silica content is reactive. Elemental sulfur, the well-known vulcanization agent for rubbers, can also be modified reasonably well.

  10. Group devaluation and group identification

    NARCIS (Netherlands)

    Leach, C.W.; Rodriguez Mosquera, P.M.; Vliek, M.L.W.; Hirt, E.

    2010-01-01

    In three studies, we showed that increased in-group identification after (perceived or actual) group devaluation is an assertion of a (preexisting) positive social identity that counters the negative social identity implied in societal devaluation. Two studies with real-world groups used order manip

  11. Paleomagnetic correlation of surface and subsurface basaltic lava flows and flow groups in the southern part of the Idaho National Laboratory, Idaho, with paleomagnetic data tables for drill cores

    Science.gov (United States)

    Champion, Duane E.; Hodges, Mary K.V.; Davis, Linda C.; Lanphere, Marvin A.

    2011-01-01

    Paleomagnetic inclination and polarity studies have been conducted on thousands of subcore samples from 51 coreholes located at and near the Idaho National Laboratory. These studies are used to paleomagnetically characterize and correlate successive stratigraphic intervals in each corehole to similar depth intervals in adjacent coreholes. Paleomagnetic results from 83 surface paleomagnetic sites, within and near the INL, are used to correlate these buried lava flow groups to basaltic shield volcanoes still exposed on the surface of the eastern Snake River Plain. Sample handling and demagnetization protocols are described as well as the paleomagnetic data averaging process. Paleomagnetic inclination comparisons between coreholes located only kilometers apart show comparable stratigraphic successions of mean inclination values over tens of meters of depth. At greater distance between coreholes, comparable correlation of mean inclination values is less consistent because flow groups may be missing or additional flow groups may be present and found at different depth intervals. Two shallow intersecting cross-sections, A-A- and B-B- (oriented southwest-northeast and northwest-southeast, respectively), drawn through southwest Idaho National Laboratory coreholes show the corehole to corehole or surface to corehole correlations derived from the paleomagnetic inclination data. From stratigraphic top to bottom, key results included the (1) Quaking Aspen Butte flow group, which erupted from Quaking Aspen Butte southwest of the Idaho National Laboratory, flowed northeast, and has been found in the subsurface in corehole USGS 132; (2) Vent 5206 flow group, which erupted near the southwestern border of the Idaho National Laboratory, flowed north and east, and has been found in the subsurface in coreholes USGS 132, USGS 129, USGS 131, USGS 127, USGS 130, USGS 128, and STF-AQ-01; and (3) Mid Butte flow group, which erupted north of U.S. Highway 20, flowed northwest, and has been

  12. Giardia intestinalis: conservation of the variant-specific surface protein VSP417-1 (TSA417) and identification of a divergent homologue encoded at a duplicated locus in genetic group II isolates.

    Science.gov (United States)

    Ey, P L; Darby, J M

    1998-11-01

    The stability of the gene encoding TSA417, a 72-kDa variant-specific surface protein (VSP) produced by trophozoites of Giardia intestinalis isolate WB-C6, was investigated in isolates of similar (Assemblage A / Group I) or distinct (Assemblage A / Group II) genotype. Using primers specific for the WB-C6 tsa417 gene, DNA amplified in polymerase chain reactions from genomic DNA indicated the presence, in every isolate, of an intact coding sequence possessing conserved restriction sites diagnostic for this locus (herein designated vsp417-1). Sequence analysis of the DNA amplified from the genomes of genetic Group I ("A-I") isolates revealed complete identity with the published WB-C6 tsa417 (vsp417-1(A-I)) sequence. Equivalent products, amplified from the genomes of genetic Group II ("A-II") isolates, similarly yielded an invariant and apparently allelic 2142-bp coding sequence (designated vsp417-1(A-II)) possessing 79% nucleotide identity with vsp417-1(A-I) and polymorphisms unique to Group II organisms. The encoded polypeptides (VSP417-1(A-I) and VSP417-1(A-II)) are identical at 75% of amino acid positions. Substitutions are concentrated within the N-terminal portions of the proteins, but the overall structure of VSP417-1 has changed little during the evolution of the Group I and Group II genotypes from their common clonal ancestor. An additional 0.7-kb DNA, representing a separate locus (vsp417-5) encoding a 22.3-kDa VSP, was amplified from genetic Group II genomes exclusively but only using particular primer combinations. The vsp417-5(A-II) gene exhibits >85% sequence identity with the 5' and 3' segments of vsp417-1(A-I) and vsp417-1(A-II) but it lacks a 1482-bp segment that comprises the central portion of the vsp417-1 locus. Excision of this segment seems to have occurred by intragenic recombination, possibly initiated by a stem loop formed between palindromic sequences which border the 1482-bp segment within vsp417-1 but which are contiguous in vsp417-5(A

  13. Development of a Composite Non-Electrostatic Surface Complexation Model Describing Plutonium Sorption to Aluminosilicates

    Energy Technology Data Exchange (ETDEWEB)

    Powell, B A; Kersting, A; Zavarin, M; Zhao, P

    2008-10-28

    Due to their ubiquity in nature and chemical reactivity, aluminosilicate minerals play an important role in retarding actinide subsurface migration. However, very few studies have examined Pu interaction with clay minerals in sufficient detail to produce a credible mechanistic model of its behavior. In this work, Pu(IV) and Pu(V) interactions with silica, gibbsite (Aloxide), and Na-montmorillonite (smectite clay) were examined as a function of time and pH. Sorption of Pu(IV) and Pu(V) to gibbsite and silica increased with pH (4 to 10). The Pu(V) sorption edge shifted to lower pH values over time and approached that of Pu(IV). This behavior is apparently due to surface mediated reduction of Pu(V) to Pu(IV). Surface complexation constants describing Pu(IV)/Pu(V) sorption to aluminol and silanol groups were developed from the silica and gibbsite sorption experiments and applied to the montmorillonite dataset. The model provided an acceptable fit to the montmorillonite sorption data for Pu(V). In order to accurately predict Pu(IV) sorption to montmorillonite, the model required inclusion of ion exchange. The objective of this work is to measure the sorption of Pu(IV) and Pu(V) to silica, gibbsite, and smectite (montmorillonite). Aluminosilicate minerals are ubiquitous at the Nevada National Security Site and improving our understanding of Pu sorption to aluminosilicates (smectite clays in particular) is essential to the accurate prediction of Pu transport rates. These data will improve the mechanistic approach for modeling the hydrologic source term (HST) and provide sorption Kd parameters for use in CAU models. In both alluvium and tuff, aluminosilicates have been found to play a dominant role in the radionuclide retardation because their abundance is typically more than an order of magnitude greater than other potential sorbing minerals such as iron and manganese oxides (e.g. Vaniman et al., 1996). The sorption database used in recent HST models (Carle et al., 2006

  14. Group theory transformation for Soret and Dufour effects on free convective heat and mass transfer with thermophoresis and chemical reaction over a porous stretching surface in the presence of heat source/sink

    Energy Technology Data Exchange (ETDEWEB)

    Kandasamy, R., E-mail: future990@gmail.com [Computational Fluid Dynamics, FSSW, Universiti Tun Hussein Onn Malaysia, 86400 Batu Pahat, Johore (Malaysia); Hayat, T. [Department of Mathematics, Quaid-i-Azam University Islamabad (Pakistan); Department of Mathematics, College of Science, King Saud University, P.O. Box 2455, Riyadh 1451 (Saudi Arabia); Obaidat, S. [Department of Mathematics, College of Science, King Saud University, P.O. Box 2455, Riyadh 1451 (Saudi Arabia)

    2011-06-15

    Highlights: > The group theoretic method is of wide applicability. > Concentration boundary layer is significantly suppressed by the thermophoretic force. > Impact of Soret and Dufour effects in the presence of thermophoresis particle deposition with chemical reaction plays an important role on the flow field. - Abstract: The group theoretic method is applied for solving the problem of combined effect of thermal diffusion and diffusion thermo on free convective heat and mass transfer over a porous stretching surface in the presence of thermophoresis particle deposition with variable stream conditions. The application of one-parameter groups reduces the number of independent variables by one and consequently, the system of governing partial differential equations with the boundary conditions reduces to a system of ordinary differential equations with appropriate boundary conditions. The equations along with the boundary conditions are solved numerically by using Runge Kutta Gill integration scheme with shooting technique. Impact of Soret and Dufour effects in the presence of thermophoresis particle deposition with chemical reaction plays an important role on the flow field. The results thus obtained are presented graphically and discussed.

  15. Algebraic Groups

    DEFF Research Database (Denmark)

    2007-01-01

    The workshop continued a series of Oberwolfach meetings on algebraic groups, started in 1971 by Tonny Springer and Jacques Tits who both attended the present conference. This time, the organizers were Michel Brion, Jens Carsten Jantzen, and Raphaël Rouquier. During the last years, the subject...... of algebraic groups (in a broad sense) has seen important developments in several directions, also related to representation theory and algebraic geometry. The workshop aimed at presenting some of these developments in order to make them accessible to a "general audience" of algebraic group......-theorists, and to stimulate contacts between participants. Each of the first four days was dedicated to one area of research that has recently seen decisive progress: \\begin{itemize} \\item structure and classification of wonderful varieties, \\item finite reductive groups and character sheaves, \\item quantum cohomology...

  16. Group Grammar

    Science.gov (United States)

    Adams, Karen

    2015-01-01

    In this article Karen Adams demonstrates how to incorporate group grammar techniques into a classroom activity. In the activity, students practice using the target grammar to do something they naturally enjoy: learning about each other.

  17. MUYANG GROUP

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    @@ With its headquarters in the historic city of Yangzhou,Jiangsu Muyang Group Co.,Ltd has since its founding in 1967 grown into a well-known group corporation whose activities cover research&development.project design,manufacturing,installation and services in a multitude of industries including feed machinery and engineering,storage engineering,grain machinery and engineering,environmental protection,conveying equipment and automatic control systems.

  18. 用AFM研究DL-缬氨酸晶体的结构及其表面分子的排列%Surface Recognition of the Space Group and Chiral Array on DL-valine Crystalline Structure Observed by AFM

    Institute of Scientific and Technical Information of China (English)

    龚(龙天); 王文清; 刘虹雯; 杜世萱; 郭海明; 王业亮; 高鸿钧

    2005-01-01

    利用原子力显微镜(AFM)成像技术来观察DL-缬氨酸晶体表面分子的规则排列,研究表明对映体分子在DL-缬氨酸晶体中相互配对排列,每个晶胞单元中包含两个对映体分子,属于具有中心对称结构P1群,整个晶体是消旋的.通过原子力显微镜对DL-缬氨酸晶体表面重复单元的测量结果与X衍射数据对比,发现用AFM观察到的DL-缬氨酸晶体中分子表面形貌的规整排列的距离,同X衍射得出的三斜晶系晶胞参数数据基本一致,由此判定该晶体属于三斜晶系而不是单斜晶系.探讨了利用纳米技术的研究手段在分子水平研究生命起源中的手性问题,在确定的晶面上通过分子周期性结构排列规律,对DL-缬氨酸晶体表面分子进行手性识别.%Atomic force microscopy(AFM) has been used to image arrays of molecules at the surface of DL-valine crystals. AFM images of DL-valine show that D- and L- molecular pairs formed from a DL-racemic mixture are exclusively homochiral. There are two different conclusions about the crystal structure of DL-valine with the data of X-ray crystallography. First, the structure of DL-valine was solved in the monoclinic space group P21/c. Second, the crystal structure of DL-valine has been refined in the centrosymmetric space group P1 and indicated a triclinic rather than a monoclinic space group. The present work emphasizes to solve the contradicting observations of space group and to provide direct evidence for chiral recognition at molecular level. DL-valine molecules {001 } are all in zwitterionic form with the isopropyl groups close to the surface and methyl groups on the top site, showing an ordered molecular morphology of triclinic unit cells, which are in fair agreement with the X-ray diffraction data. The application of AFM to the investigation of protein' s origins and a molecular-level illustration of chiral recognition at a periodic 2D surface structure ofracemic crystals is discussed.

  19. Abelian groups

    CERN Document Server

    Fuchs, László

    2015-01-01

    Written by one of the subject’s foremost experts, this book focuses on the central developments and modern methods of the advanced theory of abelian groups, while remaining accessible, as an introduction and reference, to the non-specialist. It provides a coherent source for results scattered throughout the research literature with lots of new proofs. The presentation highlights major trends that have radically changed the modern character of the subject, in particular, the use of homological methods in the structure theory of various classes of abelian groups, and the use of advanced set-theoretical methods in the study of undecidability problems. The treatment of the latter trend includes Shelah’s seminal work on the undecidability in ZFC of Whitehead’s Problem; while the treatment of the former trend includes an extensive (but non-exhaustive) study of p-groups, torsion-free groups, mixed groups, and important classes of groups arising from ring theory. To prepare the reader to tackle these topics, th...

  20. In-situ Remineralization of Dental Enamel Worked by Surface Functional Group%表面官能团作用下的牙釉质原位再矿化研究

    Institute of Scientific and Technical Information of China (English)

    李兰英; 薛博; 李红; 张渊明

    2011-01-01

    采用酸蚀后的牙釉质作为早期龋缺损模型,在缺损牙釉质表面修饰-SO3-功能基团,分别在人工唾液和含氟人工唾液中进行原位再矿化的研究.利用X-射线衍射(XRD)、扫描电镜(SEM)、透射电镜(TEM)、能谱仪(EDS)、选区电子衍射(SAED)研究原位再矿化晶体的组成和结构.结果表明,在人工唾液和含氟人工唾液中,表面修饰的官能团均可有效促进牙釉质再矿化.在含氟人工唾液中生成了沿c轴取向生长的具有较大长径比的棒状氟羟基磷灰石(FHA),这种FHA晶体具有类牙釉质的成分和结构,对修复早期龋有重要的意义.%An in-situ remineralization approach was applied on etched enamel surface as a superficial caries model. The model surface modified by -SO3~ function group and the remineralization experiment worked in artificial saliva with the presence and absence of fluoride respectively. The composition and structure of the obtained crystals were characterized by XRD, SEM, TEM, SAED and EDS. The results revealed that modified functional group improved the remineralization of dental enamel effectively. The crystals grown in the artificial saliva with the presence of fluoride were rod-like fluorapatite (FHA) with high aspect ratio aligning along the c-axis, which were quite analogous to the natural enamel in chemical components and microarchitectural structure. The study has significance for the repair of superficial caries.

  1. The Surface of Nanoparticle Silicon as Studied by Solid-State NMR

    Directory of Open Access Journals (Sweden)

    Gary E. Maciel

    2012-12-01

    Full Text Available The surface structure and adjacent interior of commercially available silicon nanopowder (np-Si was studied using multinuclear, solid-state NMR spectroscopy. The results are consistent with an overall picture in which the bulk of the np-Si interior consists of highly ordered (“crystalline” silicon atoms, each bound tetrahedrally to four other silicon atoms. From a combination of 1H, 29Si and 2H magic-angle-spinning (MAS NMR results and quantum mechanical 29Si chemical shift calculations, silicon atoms on the surface of “as-received” np-Si were found to exist in a variety of chemical structures, with apparent populations in the order (a (Si–O–3Si–H > (b (Si–O–3SiOH > (c (HO–nSi(Sim(–OSi4−m−n ≈ (d (Si–O–2Si(HOH > (e (Si–O–2Si(–OH2 > (f (Si–O–4Si, where Si stands for a surface silicon atom and Si represents another silicon atom that is attached to Si by either a Si–Si bond or a Si–O–Si linkage. The relative populations of each of these structures can be modified by chemical treatment, including with O2 gas at elevated temperature. A deliberately oxidized sample displays an increased population of (Si–O–3Si–H, as well as (Si–O–3SiOH sites. Considerable heterogeneity of some surface structures was observed. A combination of 1H and 2H MAS experiments provide evidence for a substantial population of silanol (Si–OH moieties, some of which are not readily H-exchangeable, along with the dominant Si–H sites, on the surface of “as-received” np-Si; the silanol moieties are enhanced by deliberate oxidation. An extension of the DEPTH background suppression method is also demonstrated that permits measurement of the T2 relaxation parameter simultaneously with background suppression.

  2. Synthesis and solid-state NMR characterization of cubic mesoporous silica SBA-1 functionalized with sulfonic acid groups.

    Science.gov (United States)

    Tsai, Hui-Hsu Gavin; Chiu, Po-Jui; Jheng, Guang-Liang; Ting, Chun-Chiang; Pan, Yu-Chi; Kao, Hsien-Ming

    2011-07-01

    Well-ordered cubic mesoporous silicas SBA-1 functionalized with sulfonic acid groups have been synthesized through in situ oxidation of mercaptopropyl groups with H(2)O(2) via co-condensation of tetraethoxysilane (TEOS) and 3-mercaptopropyltrimethoxysilane (MPTMS) templated by cetyltriethylammonium bromide (CTEABr) under strong acidic conditions. Various synthesis parameters such as the amounts of H(2)O(2) and MPTMS on the structural ordering of the resultant materials were systematically investigated. The materials thus obtained were characterized by a variety of techniques including powder X-ray diffraction (XRD), multinuclear solid-state Nuclear Magnetic Resonance (NMR) spectroscopy, (29)Si{(1)H} 2D HETCOR (heteronuclear correlation) NMR spectroscopy, thermogravimetric analysis (TGA), and nitrogen sorption measurements. By using (13)C CPMAS NMR technique, the status of the incorporated thiol groups and their transformation to sulfonic acid groups can be monitored and, as an extension, to define the optimum conditions to be used for the oxidation reaction to be quantitative. In particular, (29)Si{(1)H} 2D HETCOR NMR revealed that the protons in sulfonic acid groups are in close proximity to the silanol Q(3) species, but not close enough to form a hydrogen bond.

  3. Tyres and road surfaces : experimental multifactor investigation of the factors affecting the brake and side way forces between car tyres and wet road surfaces : summary, conclusions and recommendations from the study by Sub-Committee I of the Working Group on "Tyres, Road Surfaces and Skidding Accidents".

    NARCIS (Netherlands)

    1976-01-01

    The study concerning the contact between a tyre and the road surface was conducted in three phases. In the first phase the first and second-order factors were separated. The factors: type of road surface, tyre type, tread depth, water depth, tyre pressure and tyre load were included in an experiment

  4. Grouping Illumination Frameworks

    Science.gov (United States)

    Zdravkovic, Suncica; Economou, Elias; Gilchrist, Alan

    2012-01-01

    According to Koffka (1935), the lightness of a target surface is determined by the relationship between the target and the illumination frame of reference to which it belongs. However, each scene contains numerous illumination frames, and judging each one separately would lead to an enormous amount of computing. Grouping those frames that are in…

  5. Group Anonymity

    CERN Document Server

    Chertov, Oleg; 10.1007/978-3-642-14058-7_61

    2010-01-01

    In recent years the amount of digital data in the world has risen immensely. But, the more information exists, the greater is the possibility of its unwanted disclosure. Thus, the data privacy protection has become a pressing problem of the present time. The task of individual privacy-preserving is being thoroughly studied nowadays. At the same time, the problem of statistical disclosure control for collective (or group) data is still open. In this paper we propose an effective and relatively simple (wavelet-based) way to provide group anonymity in collective data. We also provide a real-life example to illustrate the method.

  6. Synthesis, characterization and crystal structure determination of Mn (II) ion based 1D polymer constructed from 2, 2′ bipyridyl and azide group, its thermal stability, magnetic properties and Hirshfeld surface analysis

    Energy Technology Data Exchange (ETDEWEB)

    Mudsainiyan, R.K., E-mail: mudsainiyanrk@gmail.com; Jassal, Amanpreet Kaur; Chawla, S.K., E-mail: sukhvinder.k.chawla@gmail.com

    2015-05-15

    The 1-D polymeric complex (I) is having formula [Mn(2,2′-BP).(N{sub 3}){sub 2}]{sub n}, which has been crystallized in distilled water and characterized by elemental analyses, FT-IR spectrum, powder X-ray diffraction analyses and single-crystal diffraction analysis. This polymer possesses 1D helical chains or coils where Mn–azide–Mn forms the base of the coil which is alternatively garlanded by rigid bi-pyridine rings, where coordinates are in anti-fashion. The Mn (II) ions in the repeating units are linked by two end-on azide groups which extend through the two end-to-end azide ligands to the next unit forming a 1-D polymeric chain. The present study suggests that the use of this rigid and neutral building block leads to give better arrangement of the polymeric motif with [010] chains in 2-c uninodal net. During investigation of strong or weak intermolecular interactions, X-ray diffraction analysis and Hirshfeld surface analysis give rise to comparable results but in Hirshfeld surface analysis, two-third times more results of close contacts are obtained. The fingerprint plots demonstrate that these weak non-bonding interactions are important for stabilizing the crystal packing. Magnetic properties of the complex (I) were analyzed on the basis of an alternating ferro- and antiferromagnetic Heisenberg chain of Mn (II) ions. The J-exchange parameters found are J{sub 1}=64.3 K (45.3 cm{sup −1}), and J{sub 2}=−75.7 K (−53.3 cm{sup −1}). Magnetic properties are discussed in comparison with those of other similar molecular magnets of [Mn(L–L)(N{sub 3}){sub 2}]{sub n} type. - - Highlights: • Synthesized 1-D polymeric complex of Mn (II) ions with 2, 2′ bipyridyl and azide group. • X-ray data of complex (I) is in a good agreement with TGA and other spectroscopic techniques. • DFT calculations were done and compared with the parameter of experimental and theoretical data. • Intermolecular interactions calculated by Hirshfeld surface analysis

  7. Use of synthetic peptides to represent surface-exposed epitopes defined by neutralizing dengue complex- and flavivirus group-reactive monoclonal antibodies on the native dengue type-2 virus envelope glycoprotein.

    Science.gov (United States)

    Falconar, Andrew K I

    2008-07-01

    The reactions of neutralizing monoclonal antibodies (mAbs) that defined dengue virus (DENV) complex, flavivirus subgroup or group neutralizing epitopes were tested against synthetic peptide sequences from domains I, II and III of the envelope (E) glycoproteins of different DENV-2 genotypes/strains. The DENV complex-reactive mAb identified the surface-exposed 304-GKFKV/IVKEIA-313 peptides and the DENV complex-conserved 393-KKGSSIGQ/KM-401 peptides in domain III, which were located adjacently in the native glycoprotein. Both flavivirus group-reactive mAbs reacted most strongly with fusion sequence peptides from domain II when they contained a cysteine (C) by glycine (G) substitution (underlined) (101-WGNGGGLFG-109) to represent the native rotated C side chain. The 393-401 sequence represents a newly identified epitope, present as a highly flexible coil located between the 385 and 393 cell-binding sequence and the 401 and 413 sequence involved in the E glycoprotein homo-trimer formation. The 101-109 sequence containing 105-C by G substitution and the 393-401 sequence are good candidates for diagnostic assays and cross-protection experiments.

  8. Informal groups

    NARCIS (Netherlands)

    E. van den Berg; P. van Houwelingen; J. de Hart

    2011-01-01

    Original title: Informele groepen Going out running with a group of friends, rather than joining an official sports club. Individuals who decide to take action themselves rather than giving money to good causes. Maintaining contact with others not as a member of an association, but through an Inter

  9. [Comparison of antibody responses to hepatitis B surface antigen among four recipient groups of hepatitis B vaccines that have been approved in Japan: evaluation using passive hemagglutination assay and chemiluminescent immunoassay].

    Science.gov (United States)

    Ogata, Norio

    2009-10-01

    In hepatitis B virus (HBV) infection-preventing programs, serum or plasma levels of antibody to hepatitis B surface antigen (anti-HBs) are important to determine whether individuals are protective or not. We compared anti-HBs responses using passive hemagglutination assay (Mycell) and chemiluminescent immunoassay (Architect) among four recipient groups of HB vaccines, Meinyu, HBY, Bimmugen and Heptavax II, that have been approved in Japan. Overall, in a total of 1875 vaccinees Mycell results showed recipient groups of Meinyu and HBY acquired higher anti-HBs levels than those of Bimmugen and Heptavax II. Comparison of anti-HBs responses by both Mycell and Architect in recipient groups of Meinyu (n=150), HBY (n=218), Bimmugen (n=260), and Heptavax II (n=47) demonstrated the order of vaccinees' responses, such as geometric mean titers, ratios of acquiring high antibody levels (Mycell titers over 1024, Architect measurements over 1000 mIU/mL), and ratios of having unsuccessful antibody responses (Mycell titers under 8, Architect measurements under 10 mIU/mL), were somewhat different between the two assays. Comparison of Architect measurements at given Mycell titers revealed Bimmugen-recipients showed significantly lower values than HBY- or Heptavax II-recipients. Around critical protective levels, 5 of 22 Bimmugen-recipients with Mycell titers 16 or 32 showed Architect measurements under 10 mIU/mL, while 8 of 11 Heptavax II-recipients with Mycell titers below 8 demonstrated Architect measurements over 10 mIU/mL. Thus, discrepancies in anti-HBs evaluation between Mycell and Architect seemed to partly depend on administered vaccines. These results indicate anti-HBs concentration should be evaluated carefully so that we could completely prevent HBV infection.

  10. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2011-01-01

    The CMS Communications Group, established at the start of 2010, has been busy in all three areas of its responsibility: (1) Communications Infrastructure, (2) Information Systems, and (3) Outreach and Education. Communications Infrastructure There are now 55 CMS Centres worldwide that are well used by physicists working on remote CMS shifts, Computing operations, data quality monitoring, data analysis and outreach. The CMS Centre@CERN in Meyrin, is the centre of the CMS offline and computing operations, hosting dedicated analysis efforts such as during the CMS Heavy Ion lead-lead running. With a majority of CMS sub-detectors now operating in a “shifterless” mode, many monitoring operations are now routinely performed from there, rather than in the main Control Room at P5. The CMS Communications Group, CERN IT and the EVO team are providing excellent videoconferencing support for the rapidly-increasing number of CMS meetings. In parallel, CERN IT and ...

  11. Lego Group

    DEFF Research Database (Denmark)

    Møller Larsen, Marcus; Pedersen, Torben; Slepniov, Dmitrij

    2010-01-01

    The last years’ rather adventurous journey from 2004 to 2009 had taught the fifth-largest toy-maker in the world - the LEGO Group - the importance of managing the global supply chain effectively. In order to survive the largest internal financial crisis in its roughly 70 years of existence......, the management had, among many initiatives, decided to offshore and outsource a major chunk of its production to Flextronics. In this pursuit of rapid cost-cutting sourcing advantages, the LEGO Group planned to license out as much as 80 per cent of its production besides closing down major parts...... of the production in high cost countries. Confident with the prospects of the new partnership, the company signed a long-term contract with Flextronics. This decision eventually proved itself to have been too hasty, however. Merely three years after the contracts were signed, LEGO management announced that it would...

  12. Group play

    DEFF Research Database (Denmark)

    Tychsen, Anders; Hitchens, Michael; Brolund, Thea

    2008-01-01

    of group dynamics, the influence of the fictional game characters and the comparative play experience between the two formats. The results indicate that group dynamics and the relationship between the players and their digital characters, are integral to the quality of the gaming experience in multiplayer......Role-playing games (RPGs) are a well-known game form, existing in a number of formats, including tabletop, live action, and various digital forms. Despite their popularity, empirical studies of these games are relatively rare. In particular there have been few examinations of the effects...... of the various formats used by RPGs on the gaming experience. This article presents the results of an empirical study, examining how multi-player tabletop RPGs are affected as they are ported to the digital medium. Issues examined include the use of disposition assessments to predict play experience, the effect...

  13. Group Connections: Whole Group Teaching.

    Science.gov (United States)

    Griffiths, Dorothy

    2002-01-01

    A learner-centered approach to adult group instruction involved learners in investigating 20th-century events. The approach allowed learners to concentrate on different activities according to their abilities and gave them opportunities to develop basic skills and practice teamwork. (SK)

  14. Synthesis, characterization and crystal structure determination of Mn (II) ion based 1D polymer constructed from 2, 2‧ bipyridyl and azide group, its thermal stability, magnetic properties and Hirshfeld surface analysis

    Science.gov (United States)

    Mudsainiyan, R. K.; Jassal, Amanpreet Kaur; Chawla, S. K.

    2015-05-01

    The 1-D polymeric complex (I) is having formula [Mn(2,2‧-BP).(N3)2]n, which has been crystallized in distilled water and characterized by elemental analyses, FT-IR spectrum, powder X-ray diffraction analyses and single-crystal diffraction analysis. This polymer possesses 1D helical chains or coils where Mn-azide-Mn forms the base of the coil which is alternatively garlanded by rigid bi-pyridine rings, where coordinates are in anti-fashion. The Mn (II) ions in the repeating units are linked by two end-on azide groups which extend through the two end-to-end azide ligands to the next unit forming a 1-D polymeric chain. The present study suggests that the use of this rigid and neutral building block leads to give better arrangement of the polymeric motif with [010] chains in 2-c uninodal net. During investigation of strong or weak intermolecular interactions, X-ray diffraction analysis and Hirshfeld surface analysis give rise to comparable results but in Hirshfeld surface analysis, two-third times more results of close contacts are obtained. The fingerprint plots demonstrate that these weak non-bonding interactions are important for stabilizing the crystal packing. Magnetic properties of the complex (I) were analyzed on the basis of an alternating ferro- and antiferromagnetic Heisenberg chain of Mn (II) ions. The J-exchange parameters found are J1=64.3 K (45.3 cm-1), and J2=-75.7 K (-53.3 cm-1). Magnetic properties are discussed in comparison with those of other similar molecular magnets of [Mn(L-L)(N3)2]n type.

  15. Surface Water & Surface Drainage

    Data.gov (United States)

    Earth Data Analysis Center, University of New Mexico — This data set contains boundaries for all surface water and surface drainage for the state of New Mexico. It is in a vector digital data structure digitized from a...

  16. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2011-01-01

    The CMS Communications Group has been busy in all three areas of its responsibility: (1) Communications Infrastructure, (2) Information Systems, and (3) Outreach and Education. Communications Infrastructure The 55 CMS Centres worldwide are well used by physicists working on remote CMS shifts, Computing operations, data quality monitoring, data analysis and outreach. The CMS Centre@CERN in Meyrin, is the centre of the CMS Offline and Computing operations, and a number of subdetector shifts can now take place there, rather than in the main Control Room at P5. A new CMS meeting room has been equipped for videoconferencing in building 42, next to building 40. Our building 28 meeting room and the facilities at P5 will be refurbished soon and plans are underway to steadily upgrade the ageing equipment in all 15 CMS meeting rooms at CERN. The CMS evaluation of the Vidyo tool indicates that it is not yet ready to be considered as a potential replacement for EVO. The Communications Group provides the CMS-TV (web) cha...

  17. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2010-01-01

    The CMS Communications Group, established at the start of 2010, has been strengthening the activities in all three areas of its responsibility: (1) Communications Infrastructure, (2) Information Systems, and (3) Outreach and Education. Communications Infrastructure The Communications Group has invested a lot of effort to support the operations needs of CMS. Hence, the CMS Centres where physicists work on remote CMS shifts, Data Quality Monitoring, and Data Analysis are running very smoothly. There are now 55 CMS Centres worldwide, up from just 16 at the start of CMS data-taking. The latest to join are Imperial College London, the University of Iowa, and the Università di Napoli. The CMS Centre@CERN in Meyrin, which is now full repaired after the major flooding at the beginning of the year, has been at the centre of CMS offline and computing operations, most recently hosting a large fraction of the CMS Heavy Ion community during the lead-lead run. A number of sub-detector shifts can now take pla...

  18. Selective Covalent Chemistry via Gas-Phase Ion/ion Reactions: An Exploration of the Energy Surfaces Associated with N-Hydroxysuccinimide Ester Reagents and Primary Amines and Guanidine Groups

    Science.gov (United States)

    Bu, Jiexun; Fisher, Christine M.; Gilbert, Joshua D.; Prentice, Boone M.; McLuckey, Scott A.

    2016-06-01

    Selective covalent bond forming reactions (referred to as covalent reactions) can occur in gas-phase ion/ion reactions and take place via the formation of a long-lived chemical complex. The gas-phase ion/ion reactivity between sulfo- N-hydroxysuccinimide (sulfo-NHS) ester reagent anions and peptide cations containing a primary amine or guanidine group has been examined via DFT calculations and complex dissociation rate measurements. The results reveal insights regarding the roles of the barriers of competing processes within the complex. When the covalent reaction is exothermic, two prototypical cases, determined by the nature of the energy surface, are apparent. The product partitioning between covalent reaction and simple proton transfer upon dissociation of the long-lived complex is sensitive to activation conditions when the transition state barrier for covalent reaction is relatively high ( case 1) but is insensitive to activation conditions when the transition state barrier is relatively low ( case 2). Covalent reaction efficiencies are very high in case 2 scenarios, such as when the reactive site is a guanidine and the anion attachment site is a guanidinium ion. Covalent reaction efficiencies are variable, and generally low, in case 1 scenarios, such as when an amine is the reactive site and an ammonium ion is the site of anion attachment. A relatively long slow-heating step prior to the complex dissociation step, however, can dramatically increase covalent reaction yield in case 1 scenarios.

  19. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2011-01-01

    Communications Infrastructure The 55 CMS Centres worldwide are well used by physicists working on remote CMS shifts, Computing operations, data quality monitoring, data analysis and outreach. The CMS Centre@CERN in Meyrin is particularly busy at the moment, hosting about 50 physicists taking part in the heavy-ion data-taking and analysis. Three new CMS meeting room will be equipped for videoconferencing in early 2012: 40/5B-08, 42/R-031, and 28/S-029. The CMS-TV service showing LHC Page 1, CMS Page 1, etc. (http://cmsdoc.cern.ch/cmscc/projector/index.jsp) is now also available for mobile devices: http://cern.ch/mcmstv. Figure 12: Screenshots of CMS-TV for mobile devices Information Systems CMS has a new web site: (http://cern.ch/cms) using a modern web Content Management System to ensure content and links are managed and updated easily and coherently. It covers all CMS sub-projects and groups, replacing the iCMS internal pages. It also incorporates the existing CMS public web site (http:/...

  20. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2012-01-01

      Outreach and Education We are fortunate that our research has captured the public imagination, even though this inevitably puts us under the global media spotlight, as we saw with the Higgs seminar at CERN in December, which had 110,000 distinct webcast viewers. The media interest was huge with 71 media organisations registering to come to CERN to cover the Higgs seminar, which was followed by a press briefing with the DG and Spokespersons. This event resulted in about 2,000 generally positive stories in the global media. For this seminar, the CMS Communications Group prepared up-to-date news and public material, including links to the CMS results, animations and event displays [http://cern.ch/go/Ch8thttp://cern.ch/go/Ch8t]. There were 44,000 page-views on the CMS public website, with the Higgs news article being by far the most popular item. CMS event displays from iSpy are fast becoming the iconic media images, featuring on numerous major news outlets (BBC, CNN, MSN...) as well as in the sci...

  1. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2010-01-01

    The recently established CMS Communications Group, led by Lucas Taylor, has been busy in all three of its main are areas of responsibility: Communications Infrastructure, Information Systems, and Outreach and Education Communications Infrastructure The damage caused by the flooding of the CMS Centre@CERN on 21st December has been completely repaired and all systems are back in operation. Major repairs were made to the roofs, ceilings and one third of the floor had to be completely replaced. Throughout these works, the CMS Centre was kept operating and even hosted a major press event for first 7 TeV collisions, as described below. Incremental work behind the scenes is steadily improving the quality of the CMS communications infrastructure, particularly Webcasting, video conferencing, and meeting rooms at CERN. CERN/IT is also deploying a pilot service of a new videoconference tool called Vidyo, to assess whether it might provide an enhanced service at a lower cost, compared to the EVO tool currently in w...

  2. Pyrolysis of Phenethyl Phenyl Ether Tethered in Mesoporous Silica. Effects of Confinement and Surface Spacer Molecules on Product Selectivity

    Energy Technology Data Exchange (ETDEWEB)

    Kidder, Michelle [ORNL; Chaffe, Alan [Monash University, Australia; Nguyen, M [Monash University, Australia; Buchanan III, A C [ORNL

    2011-01-01

    There has been expanding interest in exploring porous metal oxides as a confining environment for organic molecules resulting in altered chemical and physical properties including chemical transformations. In this paper, we examine the pyrolysis behavior of phenethyl phenyl ether (PPE) confined in mesoporous silica by covalent tethers to the pore walls as a function of tether density and the presence of co-tethered surface spacer molecules of varying structure (biphenyl, naphthyl, octyl, and hexadecyl). The PPE pyrolysis product selectivity, which is determined by two competitive free-radical pathways cycling through the two aliphatic radical intermediates (PhCH CH2OPh and PhCH2CH OPh), is shown to be dramatically different from that measured in the liquid phase as well as for PPE tethered to the exterior surface of nonporous silica nanoparticles. Tailoring the pore surface with spacer molecules further alters the selectivity such that the PPE reaction channel involving a molecular rearrangement (O-C phenyl shift in PhCH2CH OPh), which accounts for 25 % of the products in the liquid phase, can be virtually eliminated under pore confinement conditions. The origin of this change in selectivity is discussed in the context of steric constraints on the rearrangement path, confinement effects, pore surface curvature, and hydrogen bonding of PPE with residual surface silanols supplemented by nitrogen physisorption data and molecular dynamics simulations.

  3. The interactions of methyl tert-butyl ether on high silica zeolites: a combined experimental and computational study.

    Science.gov (United States)

    Sacchetto, V; Gatti, G; Paul, G; Braschi, I; Berlier, G; Cossi, M; Marchese, L; Bagatin, R; Bisio, C

    2013-08-28

    In this work, the interactions of methyl tert-butyl ether (MTBE) on different dealuminated high silica zeolites were studied by means of both experimental and computational approaches. Zeolites with different textural and surface features were selected as adsorbents and the effect of their physico-chemical properties (i.e. pore size architecture and type and amount of surface OH sites) on sorption capacity were studied. High silica mordenite (MOR) and Y zeolites (both with a SiO2/Al2O3 ratio of 200) and ZSM-5 solid (SiO2/Al2O3 ratio of 500) were selected as model sorbents. By combining FTIR and SS-NMR (both (1)H and (13)C CPMAS NMR) spectroscopy it was possible to follow accurately the MTBE adsorption process on highly defective MOR characterized by a high concentration of surface SiOH groups. The adsorption process is found to occur in different steps and to involve isolated silanol sites, weakly interacting silanols, and the siloxane network of the zeolite, respectively. H-bonding and van der Waals interactions occurring between the mordenite surface and MTBE molecules were modeled by DFT calculations using a large cluster of the MOR structure where two adjacent side-pockets were fused in a large micropore to simulate a dealumination process leading to silanol groups. This is the locus where MTBE molecules are more strongly bound and stabilized. FTIR spectroscopy and gravimetric measurements allowed determination of the interaction strength and sorption capacities of all three zeolites. In the case of both Y and MOR zeolites, medium-weak H-bonding with isolated silanols (both on internal and external zeolite surfaces) and van der Waals interactions are responsible for MTBE adsorption, whereas ZSM-5, in which a negligible amount of surface silanol species is present, displays a much lower amount of adsorbed MTBE retained mainly through van der Waals interactions with zeolite siloxane network.

  4. Upregulation of Intercellular Adhesion Molecule 1 and Proinflammatory Cytokines by the Major Surface Proteins of Treponema maltophilum and Treponema lecithinolyticum, the Phylogenetic Group IV Oral Spirochetes Associated with Periodontitis and Endodontic Infections

    Science.gov (United States)

    Lee, Sung-Hoon; Kim, Kack-Kyun; Choi, Bong-Kyu

    2005-01-01

    Treponema maltophilum and Treponema lecithinolyticum belong to the group IV oral spirochetes and are associated with endodontic infections, as well as periodontitis. Recently, the genes encoding the major surface proteins (Msps) of these bacteria (MspA and MspTL, respectively) were cloned and sequenced. The amino acid sequences of these proteins showed significant similarity. In this study we analyzed the functional role of these homologous proteins in human monocytic THP-1 cells and primary cultured periodontal ligament (PDL) cells using recombinant proteins. The complete genes encoding MspA and MspTL without the signal sequence were cloned into Escherichia coli by using the expression vector pQE-30. Fusion proteins tagged with N-terminal hexahistidine (recombinant MspA [rMspA] and rMspTL) were obtained, and any possible contamination of the recombinant proteins with E. coli endotoxin was removed by using polymyxin B-agarose. Flow cytometry showed that rMspA and rMspTL upregulated the expression of intercellular adhesion molecule 1 (ICAM-1) in both THP-1 and PDL cells. Expression of proinflammatory cytokines, such as interleukin-6 (IL-6) and IL-8, was also induced significantly in both cell types by the Msps, as determined by reverse transcription-PCR and an enzyme-linked immunosorbent assay, whereas IL-1β synthesis could be detected only in the THP-1 cells. The upregulation of ICAM-1, IL-6, and IL-8 was completely inhibited by pretreating the cells with an NF-κB activation inhibitor, l-1-tosylamido-2-phenylethyl chloromethyl ketone. This suggests involvement of NF-κB activation. The increased ICAM-1 and IL-8 expression in the THP-1 cells obtained with rMsps was not inhibited in the presence of the IL-1 receptor antagonist (IL-1ra), a natural inhibitor of IL-1. Our results show that the Msps of the group IV oral spirochetes may play an important role in amplifying the local immune response by continuous inflammatory cell recruitment and retention at an

  5. Surface modification of ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} aiming to obtaining ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} hybrid for use as a biosensor; Modificacao da superficie do ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} visando a obtencao do hibrido ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} para aplicacao como biossensor

    Energy Technology Data Exchange (ETDEWEB)

    Araujo, P.M.A.G.; Santos, P.T.A.; Costa, A.C.F.M., E-mail: pascally.guerra@gmail.com, E-mail: polyanaquimica@yahoo.com.br, E-mail: ana.costa@ufcg.edu.br [Universidade Federal de Campina Grande (UFCG), PB (Brazil); Junior, S.A.; Viana, R. S., E-mail: salvesjr@ufpe.br, E-mail: rodrigosilva.viana@yahoo.com.br [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil)

    2017-01-15

    This study aimed to investigate the influence of surface modification of ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} nanoparticles for obtaining hybrid ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} for application as a biosensor. Initially ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} nanoparticles were synthesized by combustion reaction and, subsequently, their surfaces were modified with silane agent. The samples were characterized by X-ray diffraction, scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy, and excitation and emission spectroscopy. The results showed formation of ZnAl{sub 2}O{sub 4} as the major phase. By SEM, hard agglomerates, irregularly shaped in the form of plaques, with the presence of few irregular and variables pores were observed. The surface modification was confirmed by FTIR through the silanol and siloxane groups. The excitation and emission spectra revealed the presence of a broadband of ZnAl{sub 2} O{sub 4} matrix, and fine and intense transitions from europium ion arising from doping of non-stoichiometric ZnAl{sub 2}O{sub 4} with the europium. From the results of emission and excitation, it was observed that the luminescence of ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} hybrid presented a small decrease in relation to the ZnAl{sub 1.9}Eu0.0{sub 5}O{sub 4} nanoparticles. This decrease was almost insignificant in relation to the benefits of silanization caused by the introduction of functional groups that promote combination of hybrid ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} with biomolecules, being this promising for application as a biosensor used in the biomedical field for the diagnosis and treatment of diseases. (author)

  6. Surface modification of poly(dimethylsiloxane) (PDMS) microchannels with DNA capture-probes for potential use in microfluidic DNA analysis systems

    Science.gov (United States)

    Khodakov, Dmitriy A.; Thredgold, Leigh D.; Lenehan, Claire E.; Andersson, Gunther A.; Kobus, Hilton; Ellis, Amanda V.

    2011-12-01

    Poly(dimethylsiloxane) (PDMS) is an elastomeric material used for microfluidic devices and is especially suited to medical and forensic applications. This is due to its relatively low cost, ease of fabrication, excellent optical transmission characteristics and its ability to support electroosmotic flow, required during electrophoretic separations. These aspects combined with its large range of surface modification chemistries, make PDMS an attractive substrate in microfluidic devices for, in particular, DNA separation. Here, we report the successful wet chemical surface modification of PDMS microchannels using a simple three step method to produce an isothiocyanate-terminated surface. Initially, PDMS was oxygen plasma treated to produce a silanol-terminated surface, this was then reacted with 3-aminopropyltriethoxysilane with subsequent reaction of the now amine-terminated surface with p-phenylenediisothiocyanate. Water contact angle measurements both before and after modification showed a reduction in hydrophobicity from 101o for native PDMS to 94o for the isothiocyante-terminated PDMS. The isothiocyanate-terminated surface was then coupled with an amineterminated single-stranded DNA (ssDNA) oligonucleotide capture probe via a thiourea linkage. Confirmation of capture probe attachment was observed using fluorescent microscopy after hybridization of the capture probes with fluorescently labeled complimentary ssDNA oligonucleotides.

  7. Spraying spin coating silanization at room temperature of a SiO2 surface for silicon-based integrated light emitters.

    Science.gov (United States)

    Cherkouk, C; Rebohle, L; Skorupa, W; Strache, T; Reuther, H; Helm, M

    2009-09-15

    A new silanization method for SiO(2) surfaces has been developed for Si-based light emitters which are intended to serve as light sources in smart biosensors relying on fluorescence analysis. This method uses a special silanization chamber and is based on spraying and spin coating (SSC) in nitrogen atmosphere at room temperature for 10 min. It avoids processes like sonication and the use of certain chemicals being harmful to integrated light emitters. The surface of a SiO(2) layer serving as a passivation layer for the light emitters was hydrolyzed to silanols using an in situ-hybridization chamber and catalyzed with MES (2-(N-morpholino)ethanesulfone acid hydrate) buffer solution. Subsequently, the substrates were silanized with the SSC method using two coupling agents as (3-Aminopropyl)trimethoxysilane (APMS), and N'-(3-(trimethoxysilyl)-propyl)-diethylenetriamine (triamino-APMS). The structure of the SiO(2) surface, the APMS and the triamino-APMS layers was controlled and characterized by Infrared spectroscopy, Raman spectroscopy and X-ray photoelectron spectroscopy. The results show a covalent binding of the silane coupling agents on the surface. Atomic force microscopy was used to investigate the roughness of the surface. The silanized samples exhibit smooth and densely covered surfaces. Finally, the suitability of the SSC method was verified on real light emitters.

  8. Influence of particle and surface quality on the vitrinite reflectance of dispersed organic matter: Comparative exercise using data from the qualifying system for reflectance analysis working group of ICCP

    Science.gov (United States)

    Borrego, A.G.; Araujo, C.V.; Balke, A.; Cardott, B.; Cook, A.C.; David, P.; Flores, D.; Hamor-Vido, M.; Hiltmann, W.; Kalkreuth, W.; Koch, J.; Kommeren, C.J.; Kus, J.; Ligouis, B.; Marques, M.; Mendonca, Filho J.G.; Misz, M.; Oliveira, L.; Pickel, W.; Reimer, K.; Ranasinghe, P.; Suarez-Ruiz, I.; Vieth, A.

    2006-01-01

    The development of a qualifying system for reflectance analysis has been the scope of a working group within the International Committee for Coal and Organic Petrology (ICCP) since 1999, when J. Koch presented a system to qualify vitrinite particles according to their size, proximity to bright components and homogeneity of the surface. After some years of work aimed at improving the classification system using photomicrographs, it was decided to run a round robin exercise on microscopy samples. The classification system tested consists of three qualifiers ranging from excellent to low quality vitrinites with an additional option for unsuitable vitrinites. This paper reports on the results obtained by 22 analysts who were asked to measure random reflectance readings on vitrinite particles assigning to each reading a qualifier. Four samples containing different organic matter types and a variety of vitrinite occurrences have been analysed. Results indicated that the reflectance of particles classified as excellent, good or poor compared to the total average reflectance did not show trends to be systematically lower or higher for the four samples analysed. The differences in reflectance between the qualifiers for any given sample were lower than the scatter of vitrinite reflectance among participants. Overall, satisfactory results were obtained in determining the reflectance of vitrinite in the four samples analysed. This was so for samples having abundant and easy to identify vitrinites (higher plant-derived organic matter) as well as for samples with scarce and difficult to identify particles (samples with dominant marine-derived organic matter). The highest discrepancies were found for the organic-rich oil shales where the selection of the vitrinite population to measure proved to be particularly difficult. Special instructions should be provided for the analysis of this sort of samples. The certainty of identification of the vitrinite associated with the vitrinite

  9. Influence of particle and surface quality on the vitrinite reflectance of dispersed organic matter: Comparative exercise using data from the qualifying system for reflectance analysis working group of ICCP

    Energy Technology Data Exchange (ETDEWEB)

    Borrego, A.G.; Suarez-Ruiz, I. [Instituto Nacional del Carbon, CSIC, PO Box 73, 33080 Oviedo (Spain); Araujo, C.V. [Petrobras-Cenpes GEOQ/PDEXP, Ilha do Fundao Quadra 7, 21949-900 Rio de Janeiro (Brazil); Balke, A.; Hiltmann, W.; Kus, J. [Bundesanstalt fuer Geowissenschaften und Rohstoffe, Postfach 510153, 30631 Hannover (Germany); Cardott, B. [Oklahoma Geological Survey, 100 E. Boyd St., Rm. N-131, Norman, OK 73019-0628 (United States); Cook, A.C.; Ranasinghe, P. [Keiraville Konsultants Pty, Ltd. 7 Dallas Street, Keiraville NSW 2500 (Australia); David, P.; Reimer, K. [TNO Environment and Geosciences, Budapestlaan 4, P.O.Box 80015, 3508 TA Utrecht (Netherlands); Flores, D.; Marques, M. [Departamento de Geologia, Faculdade de Ciencias do Porto Praca de Gomes Teixeira, 4099-022 Porto (Portugal); Hamor-Vido, M. [Geological Institute of Hungary, Stefania street 14, Budapest H-1143 (Hungary); Kalkreuth, W.; Oliveira, L. [Laboratorio de Carvao e de Petrologia Organica, Instituto de Geociencias, UFRGS, Av. Bento Goncalves, 9500, 91501-970 Porto Alegre (Brazil); Koch, J. [Bundesanstalt fur Geowissenschaften und Rohstoffe, PO Box 51 01 53, 30631 Hannover (Germany); Kommeren, C.J. [Shell Exploration and Production International Center, Postbus 60, 2280 AB Rijswijk (Netherlands); Ligouis, B. [LAOP NL Tuebingen, ZAG. Sigwartstr, 10. 72076 Tuebingen (Germany); Mendonca Filho, J.G. [Instituto de Geociencias, Departamento de Geologia, UFRJ, Av. Brigadeiro Trompowski s/n, Bloco G. Ilha do Fundao, 21949-900 Rio de Janeiro (Brazil); Misz, M. [University of Silesia, Faculty of Earth Sciences, Ul. Bedzinska 60, 41-200 Sosnowice (Poland); Pickel, W. [Coal and Organic Petrology Services PTY, LTD., PO Box 174, Sans Souci, NSW 2219 (Australia); Vieth, A. [Geologischer Dienst Nordrhein-Westfalen, Landesbetrieb, Postfach 100763, 47707 Krefeld (Germany)

    2006-10-02

    The development of a qualifying system for reflectance analysis has been the scope of a working group within the International Committee for Coal and Organic Petrology (ICCP) since 1999, when J. Koch presented a system to qualify vitrinite particles according to their size, proximity to bright components and homogeneity of the surface. After some years of work aimed at improving the classification system using photomicrographs, it was decided to run a round robin exercise on microscopy samples. The classification system tested consists of three qualifiers ranging from excellent to low quality vitrinites with an additional option for unsuitable vitrinites. This paper reports on the results obtained by 22 analysts who were asked to measure random reflectance readings on vitrinite particles assigning to each reading a qualifier. Four samples containing different organic matter types and a variety of vitrinite occurrences have been analysed. Results indicated that the reflectance of particles classified as excellent, good or poor compared to the total average reflectance did not show trends to be systematically lower or higher for the four samples analysed. The differences in reflectance between the qualifiers for any given sample were lower than the scatter of vitrinite reflectance among participants. Overall, satisfactory results were obtained in determining the reflectance of vitrinite in the four samples analysed. This was so for samples having abundant and easy to identify vitrinites (higher plant-derived organic matter) as well as for samples with scarce and difficult to identify particles (samples with dominant marine-derived organic matter). The highest discrepancies were found for the organic-rich oil shales where the selection of the vitrinite population to measure proved to be particularly difficult. Special instructions should be provided for the analysis of this sort of samples. The certainty of identification of the vitrinite associated with the vitrinite

  10. Fluorinated silica microchannel surfaces

    Science.gov (United States)

    Kirby, Brian J.; Shepodd, Timothy Jon

    2005-03-15

    A method for surface modification of microchannels and capillaries. The method produces a chemically inert surface having a lowered surface free energy and improved frictional properties by attaching a fluorinated alkane group to the surface. The coating is produced by hydrolysis of a silane agent that is functionalized with either alkoxy or chloro ligands and an uncharged C.sub.3 -C.sub.10 fluorinated alkane chain. It has been found that the extent of surface coverage can be controlled by controlling the contact time from a minimum of about 2 minutes to a maximum of 120 minutes for complete surface coverage.

  11. QT interval variability in body surface ECG : measurement, physiological basis, and clinical value: position statement and consensus guidance endorsed by the European Heart Rhythm Association jointly with the ESC Working Group on Cardiac Cellular Electrophysiology

    NARCIS (Netherlands)

    Baumert, Mathias; Porta, Alberto; Vos, Marc A; Malik, Marek; Couderc, Jean-Philippe; Laguna, Pablo; Piccirillo, Gianfranco; Smith, Godfrey L; Tereshchenko, Larisa G; Volders, Paul G A

    2016-01-01

    This consensus guideline discusses the electrocardiographic phenomenon of beat-to-beat QT interval variability (QTV) on surface electrocardiograms. The text covers measurement principles, physiological basis, and clinical value of QTV. Technical considerations include QT interval measurement and the

  12. Origamis with non congruence Veech groups

    CERN Document Server

    Schmithuesen, Gabriela

    2007-01-01

    As main result we show that for each g > 1 there is some translation surface of genus g whose Veech group is a non congruence subgroup of SL(2,Z). We use origamis/square-tiled surfaces to produce our examples. The article is divided into two parts: In the first part we introduce translation surfaces, origamis, Veech groups and Teichmueller curves and show for two origamis in genus 2 that their Veech groups are non congruence groups; in the second part we provide a technique that produces sequences of origamis whose Veech groups are decreasing. This is used to prove the main result.

  13. Transformation of Air Quality Monitor Data from the International Space Station into Toxicological Effect Groups

    Science.gov (United States)

    James, John T.; Zalesak, Selina M.

    2011-01-01

    The primary reason for monitoring air quality aboard the International Space Station (ISS) is to determine whether air pollutants have collectively reached a concentration where the crew could experience adverse health effects. These effects could be near-real-time (e.g. headache, respiratory irritation) or occur late in the mission or even years later (e.g. cancer, liver toxicity). Secondary purposes for monitoring include discovery that a potentially harmful compound has leaked into the atmosphere or that air revitalization system performance has diminished. Typical ISS atmospheric trace pollutants consist of alcohols, aldehydes, aromatic compounds, halo-carbons, siloxanes, and silanols. Rarely, sulfur-containing compounds and alkanes are found at trace levels. Spacecraft Maximum Allowable Concentrations (SMACs) have been set in cooperation with a subcommittee of the National Research Council Committee on Toxicology. For each compound and time of exposure, the limiting adverse effect(s) has been identified. By factoring the analytical data from the Air Quality Monitor (AQM), which is in use as a prototype instrument aboard the ISS, through the array of compounds and SMACs, the risk of 16 specific adverse effects can be estimated. Within each adverse-effect group, we have used an additive model proportioned to each applicable 180-day SMAC to estimate risk. In the recent past this conversion has been performed using archival data, which can be delayed for months after an air sample is taken because it must be returned to earth for analysis. But with the AQM gathering in situ data each week, NASA is in a position to follow toxic-effect groups and correlate these with any reported crew symptoms. The AQM data are supplemented with data from real-time CO2 instruments aboard the ISS and from archival measurements of formaldehyde, which the AQM cannot detect.

  14. Integrated Groups and Smooth Distribution Groups

    Institute of Scientific and Technical Information of China (English)

    Pedro J. MIANA

    2007-01-01

    In this paper, we prove directly that α-times integrated groups define algebra homo-morphisms. We also give a theorem of equivalence between smooth distribution groups and α-times integrated groups.

  15. Group typicality, group loyalty and cognitive development.

    Science.gov (United States)

    Patterson, Meagan M

    2014-09-01

    Over the course of childhood, children's thinking about social groups changes in a variety of ways. Developmental Subjective Group Dynamics (DSGD) theory emphasizes children's understanding of the importance of conforming to group norms. Abrams et al.'s study, which uses DSGD theory as a framework, demonstrates the social cognitive skills underlying young elementary school children's thinking about group norms. Future research on children's thinking about groups and group norms should explore additional elements of this topic, including aspects of typicality beyond loyalty.

  16. Which finite simple groups are unit groups?

    DEFF Research Database (Denmark)

    Davis, Christopher James; Occhipinti, Tommy

    2014-01-01

    We prove that if G is a finite simple group which is the unit group of a ring, then G is isomorphic to either (a) a cyclic group of order 2; (b) a cyclic group of prime order 2^k −1 for some k; or (c) a projective special linear group PSLn(F2) for some n ≥ 3. Moreover, these groups do all occur...

  17. Running surface couplings

    OpenAIRE

    1995-01-01

    We discuss the renormalization group improved effective action and running surface couplings in curved spacetime with boundary. Using scalar self-interacting theory as an example, we study the influence of the boundary effects to effective equations of motion in spherical cap and the relevance of surface running couplings to quantum cosmology and symmetry breaking phenomenon. Running surface couplings in the asymptotically free SU(2) gauge theory are found.

  18. Group Cohesion in Experiential Growth Groups

    Science.gov (United States)

    Steen, Sam; Vasserman-Stokes, Elaina; Vannatta, Rachel

    2014-01-01

    This article explores the effect of web-based journaling on changes in group cohesion within experiential growth groups. Master's students were divided into 2 groups. Both used a web-based platform to journal after each session; however, only 1 of the groups was able to read each other's journals. Quantitative data collected before and…

  19. Group Work Publication-1991.

    Science.gov (United States)

    Zimpfer, David G.

    1992-01-01

    Lists 21 new publications in group work, of which 9 are reviewed. Those discussed include publications on group counseling and psychotherapy, structured groups, support groups, psychodrama, and social group work. (Author/NB)

  20. Surface modified superparamagnetic nanoparticles: Interaction with fibroblasts in primary cell culture

    Energy Technology Data Exchange (ETDEWEB)

    Chapa Gonzalez, Christian; Roacho Pérez, Jorge A.; Martínez Pérez, Carlos A.; Olivas Armendáriz, Imelda [Instituto de Ingeniería y Tecnología, Universidad Autónoma de Ciudad Juárez, Ave. Del Charro #610 norte, Col. Partido Romero, C.P. 32320 Cd. Juárez, Chihuahua, México (Mexico); Jimenez Vega, Florinda [Instituto de Ciencias Biomédicas, Universidad Autónoma de Ciudad Juárez, Anillo envolvente del PRONAF y Estocolmo, C.P. 32320 Cd. Juárez, Chihuahua, México (Mexico); Castrejon Parga, Karen Y. [Instituto de Ingeniería y Tecnología, Universidad Autónoma de Ciudad Juárez, Ave. Del Charro #610 norte, Col. Partido Romero, C.P. 32320 Cd. Juárez, Chihuahua, México (Mexico); Garcia Casillas, Perla E., E-mail: pegarcia@uacj.mx [Instituto de Ingeniería y Tecnología, Universidad Autónoma de Ciudad Juárez, Ave. Del Charro #610 norte, Col. Partido Romero, C.P. 32320 Cd. Juárez, Chihuahua, México (Mexico)

    2014-12-05

    Highlights: • An inorganic layer before an organic material shell onto MNPs improves cell viability. • The coating type and the concentration of nanoparticles directly affect cell viability. • Modified magnetite nanoparticles with organic and inorganic materials was developed. - Abstract: The development of a variety of medical applications such as drug delivery, cell labeling, and medical imaging have been possible owing to the unique features exhibited by magnetic nanoparticles. Nanoparticle–cell interaction is related to the surface aspects of nanoparticle, which may be described based on their chemistry or inorganic/organic characteristics. The coating on particle surface reduces the inter-particle interactions and provides properties such as biocompatibility. Among the coating materials used for nanoparticles employed in biomedical applications, oleic acid is one of the most utilized due to its biocompatibility. However, a major drawback with this naturally occurring fatty acid is that it is easily oxidized by cells and this reduces their performance in biomedical applications. In order to avoid the direct contact of the cell with the magnetite particle, coating with an inorganic material prior to the oleic acid shell would be effective. This would retard the magnetite dissociation thereby improve the cell viability. Here we report our investigation on the effect of surface modified magnetite nanoparticles (MNPs) on the cell viability using primary cultures incubated with those particles. We prepared magnetite nanoparticles by chemical co-precipitation method; nanoparticle surface was first modified by silanol condensation followed by chemisorption of oleic acid. All nanostructures have a particle size less than 100 nm, depending on the material coating and superparamagnetic behavior. The saturated magnetizations (M{sub s}) of the magnetite samples coated with oleic acid (MAO; 49.15 emu/g) and double shell silica-oleic acid (MSAO; 46.16 emu/g) are

  1. Group theories: relevance to group safety studies.

    Science.gov (United States)

    Benevento, A L

    1998-01-01

    Promoting safety in the workplace has been attempted in a variety of ways. Increasingly, industries are using groups such as safety teams and quality circles to promote worker safety. Group influences on individual behavior and attitudes have long been studied in the social psychology literature, but the theories have not been commonly found outside the psychology arena. This paper describes the group theories of group polarization, risky shift, social loafing, groupthink and team think and attempts to apply these theories to existing studies that examine work group influences on safety. Interesting parallels were found but only one study examined group influences as their primary focus of research. Since groups are increasingly used for safety promotion, future research on safety that studies group influences with respect to current group theories is recommended.

  2. Characteristics of Surface Functional Groups From Coal Tar Asphaltene and Its Influence on the Selection of Assistants in Slurry-Bed Hydrocracking%煤焦油沥青质的表面官能团特性及对悬浮床加氢裂化助剂选择的影响

    Institute of Scientific and Technical Information of China (English)

    邓文安; 吴乐乐; 王晓杰; 芦静; 李传

    2015-01-01

    以煤焦油常压渣油(T‐AR)为原料,分离出了正庚烷沥青质(T‐AR‐HI),通过元素分析、XPS、FT‐IR手段对该沥青质的表面官能团进行了表征,同时考察了不同助剂作用下T‐AR悬浮床加氢裂化反应过程中的生焦行为,进而分析了不同助剂对T‐AR沥青质的稳定作用机理。结果表明, T‐AR‐HI表面官能团以C—C、C— H、C—O为主;杂原子中O含量最高,杂原子官能团以含O官能团为主,其中醚类结构(C—O—C )占大多数;含N官能团主要为吡啶、吡咯和胺类,此外含有少量亚砜等含S官能团。表面官能团中,中性官能团总相对浓度为7.9%,酸性官能团为0.01%,碱性官能团为1.47%,沥青质表面呈弱碱性。SDBS、OA、CTAB 3种助剂对T‐AR沥青质的稳定作用依次降低,稳定作用主要取决于沥青质表面官能团与助剂之间的酸碱作用和氢键作用,其中酸碱作用影响较大。宜选取具有酸性基团的阴离子型双亲分子作为T‐AR悬浮床加氢裂化的助剂。%n‐Heptane asphaltene(HI) was isolated from coal tar atmospheric residue (T‐AR) .Its surface functional groups characteristics were studied by Element analysis ,XPS and FT‐IR .The coke formation in slurry bed hydrocracking of T‐AR in the presence of assistant and the mechanism of the stabilization of T‐AR asphaltene by different assistants were investigated simultaneously . The results indicated that the main surface functional groups of T‐AR‐HI were C—C ,C— H and C—O ,and the O content was highest in heteroatom contents .In addition ,O‐containing groups were the main part of heteroatom functional groups and appeared mainly as ethers structure (C—O—C) .N‐containing groups were mainly pyridine ,pyrrole and amine .Sulfoxides was detected as the main S‐containing functional group with the smallest content in the total heteroatom functional group contents .In the

  3. The role of outer surface/inner bulk Brønsted acidic sites in the adsorption of a large basic molecule (simazine) on H-Y zeolite.

    Science.gov (United States)

    Sannino, Filomena; Pansini, Michele; Marocco, Antonello; Bonelli, Barbara; Garrone, Edoardo; Esposito, Serena

    2015-11-21

    The simple means adopted for investigating H-Y zeolite acidity in water is the pH-dependence of the amount of a basic molecule adsorbed under isochoric conditions, a technique capable of yielding, under equilibrium conditions, an estimate of the pKa value of the involved acidic centres: the behaviour with temperature of adsorbed amounts yields instead some information on thermodynamics. Simazine (Sim, 2-chloro-4,6-bis(ethylamino)-s-triazine) was chosen as an adsorbate because its transverse dimension (7.5 Å) is close to the opening of the supercage in the faujasite structure of H-Y (7.4 Å). In short term measurements, Sim adsorption at 25 °C occurs only at the outer surface of H-Y particles. Two types of mildly acidic centres are present (with pKaca. 7 and ca. 8, respectively) and no strong one is observed. Previous adsorption of ammonia from the gas phase discriminates between the two. The former survives, and shows features common with the silanols of amorphous silica. The latter is suppressed: because of this and other features distinguishing this site from silanol species (e.g. the formation of dimeric Sim2H(+) species, favoured by coverage and unfavoured by temperatures of adsorption higher than ambient temperature) a candidate is an Al based site. We propose a Lewis centre coordinating a water molecule, exhibiting acidic properties. This acidic water molecule can be replaced by the stronger base ammonia, also depleting inner strong Brønsted sites. A mechanism for the generation of the two sites from surface Brønsted species is proposed. Long term adsorption measurements at 25 °C already show the onset of the interaction with inner strongly acidic Brønsted sites: because of its size, activation is required for Sim to pass the supercage openings and reach inner acidic sites. When adsorption is run at 40-50 °C, uptake is much larger and increases with temperature. Isochoric measurements suggest a pKa value of ca. 3 compatible with its marked acidic

  4. Magnetic translation groups as group extension

    OpenAIRE

    Florek, Wojciech

    1998-01-01

    Extensions of a direct product T of two cyclic groups Z_n1 and Z_n2 by an Abelian (gauge) group G with the trivial action of T on G are considered. All possible (nonequivalent) factor systems are determined using the Mac Lane method. Some of resulting groups describe magnetic translation groups. As examples extensions with G=U(1) and G=Z_n are considered and discussed.

  5. Group Dynamic Processes in Email Groups

    Science.gov (United States)

    Alpay, Esat

    2005-01-01

    Discussion is given on the relevance of group dynamic processes in promoting decision-making in email discussion groups. General theories on social facilitation and social loafing are considered in the context of email groups, as well as the applicability of psychodynamic and interaction-based models. It is argued that such theories may indeed…

  6. Interagency mechanical operations group numerical systems group

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-09-01

    This report consists of the minutes of the May 20-21, 1971 meeting of the Interagency Mechanical Operations Group (IMOG) Numerical Systems Group. This group looks at issues related to numerical control in the machining industry. Items discussed related to the use of CAD and CAM, EIA standards, data links, and numerical control.

  7. AREVA group overview; Presentation du groupe AREVA

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-02-08

    This document presents the Group Areva, a world nuclear industry leader, from a financial holding company to an industrial group, operating in two businesses: the nuclear energy and the components. The structure and the market of the group are discussed, as the financial assets. (A.L.B.)

  8. The Nearest Group of Galaxies

    CERN Document Server

    Van den Bergh, S

    1999-01-01

    The small Antlia-Sextans clustering of galaxies is located at a distance of only 1.36 Mpc from the Sun, and 1.72 Mpc from the adopted barycenter of the Local Group. The latter value is significantly greater than the radius of the zero- velocity surface of the Local Group which, for an assumed age of 14 Gyr, has Ro = 1.18 " 0.15 Mpc. This, together with the observation that the members of the Ant-Sex group have a mean redshift of +114 " 12 km s-1 relative to the centroid of the Local Group, suggests that the Antlia-Sextans group is not bound to our Local Group, and that it is expanding with the Hubble flow. If this conclusion is correct, then Antlia-Sextans may be the nearest external clustering of galaxies. The total galaxian population of the Ant-Sex group is ~ 1/5 that of the Local Group. However, the integrated luminosity of Ant-Sex is two orders of magnitude lower than that of the Local Group. Subject headings: Galaxies - clusters: individual (Antlia-Sextans)

  9. Vapor phase adsorption of organic compounds on octyl silicas

    Science.gov (United States)

    Roshchina, T. M.; Shoniya, N. K.; Tayakina, O. Ya.; Fadeev, A. Y.

    2011-02-01

    The influence of the modification of silica by octyltrichlorosilane with the formation of an oligomeric grafted layer (sample C8(II)) and additional silanization (sample C8(III)) on the thermodynamic adsorption characteristics (TACs) of different classes of organic compounds was investigated by gas chromatography. It was shown that the modification leads to decreased adsorption values for most of the investigated compounds (with the exception of alkanes, for which TACs on sample C8(II) approach the values observed on the initial support, due probably to additional interactions with silanol groups formed in modifying the surface with octyltrichlorosilane). It was established that blocking these silanol groups during additional silanization with trimethylsilane resulted in inert surfaces whose adsorption properties with respect to many compounds (including some capable of participating in strong specific interactions) approaches to the properties of octyl-silica with a close-packed grafted monolayer.

  10. About group digital signatures

    National Research Council Canada - National Science Library

    Adriana Cristina Enache

    2012-01-01

    ...).A group digital signature is a digital signature with enhanced privacy features that allows members of a given group to anonymously sign messages on behalf of the group, producing a group signature...

  11. The Local Group and other neighboring galaxy groups

    CERN Document Server

    Karachentsev, I D

    2004-01-01

    Over the last few years, rapid progress has been made in distance measurements for nearby galaxies based on the magnitude of the tip of red giant branch stars. Current CCD surveys with HST and large ground- based telescopes bring $\\sim$10%-accurate distances for roughly a hundred galaxies within 5 Mpc. The new data on distances to galaxies situated in (and around) the nearest groups: the Local Group, M81 group, CenA/M83 group, IC342/Maffei group, Sculptor filament, and Canes Venatici cloud allowed us to determine their total mass from the radius of the zero- velocity surface, $R_0$, which separates a group as bound against the homogeneous cosmic expansion. The values of $R_0$ for the virialized groups turn out to be close each other, in the range of 0.9 -- 1.3 Mpc. As a result, the total masses of the groups are close to each other, too, yielding total mass-to-blue luminosity ratios of 10 -- 40 $M_{\\sun}/L_{\\sun}$. The new total mass estimates are 3 -- 5 times lower than old virial mass estimates of these gro...

  12. Theoretical Studies on the Reaction Mechanisms of Methoxy Group and Carbon Monoxide over the Surfaces of Pd(111)%CH3 O和CO在Pd(111)表面偶联反应机理的理论研究

    Institute of Scientific and Technical Information of China (English)

    丁开宁; 李玉璐; 程蓓斯; 章永凡

    2014-01-01

    The possible reaction mechanisms of CH3O and CO on Pd(111) surface were studied with GGA-PW91 in the DMol3 software package based on density functional theory( DFT) . The relative calculated results indicate that the equilibrium state of CH3 O adsorbed at fcc position is the most stable configuration with more negative charges on O atom, be apt to be attacked by electrophilic reagents. While, CO adsorbed on top site perpendicularly by the interaction between C atom and Pd surface has lower adsorption energy, and its carbon atoms will possess more positive charges, which avail the migration for electrophilic insert reaction. Compared with CO on the bridge and hollow sites, CO adsorbed on the top sites is the optimistical configuration for the coupled reaction yielding CH3 OOC, which may be attributed to the mobility and electrophilcity of CO.%采用DMol3程序包中的GGA-PW91方法,结合周期平板模型,对CH3O和CO在Pd(111)表面的反应进行了系统研究。计算结果表明,吸附在Pd(111)表面顶位上的CO分子中C原子所带正电荷最多,容易与亲核试剂反应,化学吸附能稍低,有利于在表面上移动发生亲电插入反应;CH3 O在Pd(111)表面fcc穴位吸附稳定, O原子上所带的负电荷较多,易被亲电试剂进攻。过渡态搜索表明, Pd (111)表面顶位上的CO与fcc穴位上CH3 O反应生成CH3 OOC的为放热反应,反应能垒较低,有利于偶联反应的进行。

  13. Introduction to Sporadic Groups

    Directory of Open Access Journals (Sweden)

    Luis J. Boya

    2011-01-01

    Full Text Available This is an introduction to finite simple groups, in particular sporadic groups, intended for physicists. After a short review of group theory, we enumerate the 1+1+16=18 families of finite simple groups, as an introduction to the sporadic groups. These are described next, in three levels of increasing complexity, plus the six isolated ''pariah'' groups. The (old five Mathieu groups make up the first, smallest order level. The seven groups related to the Leech lattice, including the three Conway groups, constitute the second level. The third and highest level contains the Monster group M, plus seven other related groups. Next a brief mention is made of the remaining six pariah groups, thus completing the 5+7+8+6=26 sporadic groups. The review ends up with a brief discussion of a few of physical applications of finite groups in physics, including a couple of recent examples which use sporadic groups.

  14. Comparative studies of mononuclear Ni(II) and UO2(II) complexes having bifunctional coordinated groups: synthesis, thermal analysis, X-ray diffraction, surface morphology studies and biological evaluation.

    Science.gov (United States)

    Fahem, Abeer A

    2012-03-01

    Two Schiff base ligands derived from condensation of phthalaldehyde and o-phenylenediamine in 1:2 (L(1)) and 2:1 (L(2)) having bifunctional coordinated groups (NH(2) and CHO groups, respectively) and their metal complexes with Ni(II) and UO(2)(II) have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibilities and spectral data (IR, (1)H NMR, mass and solid reflectance) as well as thermal, XRPD and SEM analysis. The formula [Ni(L(1))Cl(2)]·2.5H(2)O, [UO(2)(L(1))(NO(3))(2)]·2H(2)O, [Ni(L(2))Cl(2)]·1.5H(2)O and [UO(2)(L(2))(NO(3))(2)] have been suggested for the complexes. The vibrational spectral data show that the ligands behave as neutral ligands and coordinated to the metal ions in a tetradentate manner. The Ni(II) complexes are six coordinate with octahedral geometry and the ligand field parameters: D(q), B, β and LFSE were calculated while, UO(2)(II) complexes are eight coordinate with dodecahedral geometry and the force constant, F(U-O) and bond length, R(U-O) were calculated. The thermal decomposition of complexes ended with metal chloride/nitrate as a final product and the highest thermal stability is displayed by [UO(2)(L(2))(NO(3))(2)] complex. The X-ray powder diffraction data revealed the formation of nano sized crystalline complexes. The SEM analysis provides the morphology of the synthesized compounds and SEM image of [UO(2)(L(2))(NO(3))(2)] complex exhibits nano rod structure. The growth-inhibiting potential of the ligands and their complexes has been assessed against a variety of bacterial and fungal strains.

  15. New inorganic-organic lamellar derivatives synthesized from H-RUB-18 and thermodynamics of cation sorption

    OpenAIRE

    Macedo, TR; C. Airoldi

    2009-01-01

    A synthesized crystalline lamellar sodium RUB-18 was reacted with hydrochloric acid solution to exchange the original hydrated sodium cation on the interlayer space to obtain the acidic form, H-RUB-18, whose silanol groups on the surface favour covalent bond formation with the silylating agents 3-aminopropyltriethoxysilane (N) and N-3-trimethoxysilylpropyldiethylenetriamine (3N). Both new organofunctionalized nanostructured materials were characterized by means of elemental analysis, IR spect...

  16. Особенности адсорбции метиленового голубого на поверхности диатомита

    Directory of Open Access Journals (Sweden)

    K. Korzhynbayeva

    2013-09-01

    Full Text Available The adsorption of methylene blue dye on the surface of diatomite was studied. Adsorption takes place due to the electrostatic interaction of dye cations and silanolic groups of diatomite. Investigation of the influence of pH on the adsorption efficiency showed that the amount of adsorption increased with pH increasing. The possibility of heterocoagulation associates dye and particles of diatomite in the system methylene blue – diatomite along with the adsorption processes was considered.

  17. Superamphiphobic Surfaces

    NARCIS (Netherlands)

    Cavalli, A.; Mugele, F.; Brutin, David

    2015-01-01

    This chapter discusses recent trends in the development, fabrication, and characterization of superamphiphobic surfaces. An amphiphobic surface repels both polar liquids, such as water, and nonpolar (oily) liquids, and has therefore useful technological application in microfluidics devices, protecti

  18. Rumble surfaces

    CSIR Research Space (South Africa)

    National Institute for Transport and Road

    1977-01-01

    Full Text Available Rumble surfaces are intermittent short lengths of coarse-textured road surfacings on which vehicle tyres produce a rumbling sound. used in conjunction with appropriate roadsigns and markings, they can reduce accidents on rural roads by alerting...

  19. Surface analysis.

    Science.gov (United States)

    Kinsella, T

    2006-10-01

    Surface analysis techniques are important tools to use in the verification of surface cleanliness and medical device functionality. How these techniques can be employed and some example applications are described.

  20. Using Mass Spectrometry to Detect Silanol Compounds in Water from the International Space Station

    Science.gov (United States)

    Rutz, Jeffrey A.; Kuo, C. K. Mike; Alverson, James T.; Wallace, William T.; Gazda, Daniel B.

    2016-01-01

    Routine environmental monitoring is required during human spaceflight to help safeguard the health of crew members and assess the performance of vehicle Environmental Control and Life Support (ECLS) systems. In the case of the International Space Station (ISS), water quality monitoring is performed using a combination of in-flight and archival methods. Over the past several years, there have been periodic increases in the total organic carbon (TOC) levels in the water produced by the US Water Recovery System (WRS). When the first increase occurred in 2009, no target organic species were detected that could account for the increase. Here we describe the efforts to identify the unknown contaminants and develop methods to quantify them.

  1. Using Mass Spectrometry to Detect Silanol Compounds in Water from the International Space Station

    Science.gov (United States)

    Rutz, Jeffrey A.; Kuo, C. K. Mike; Alverson, James T.; Wallace, William T.; Gazda, Daniel B.

    2016-01-01

    The water produced by the U.S. Water Processor Assembly (WPA) on the International Space Station had virtually undetectable levels of total organic carbon (TOC) during the first 18 months of operation. In 2010, the TOC in the WPA product water rose to approx. 2 mg/L. The maximum allowable TOC concentration in the product water is 3.0 mg/L. Ground analysis indicated that > 90% of this increase was due to dimethylsilanediol (DMSD). Since then, recurring increases in TOC attributed to DMSD have occurred every 12-18 months. In 2015, a new compound was determined to be responsible for the TOC increase. This new contaminant was identified as monomethylsilanetriol (MMST). This poster details the efforts to identify and quantify DMSD and MMST. DMSD was initially discovered as a stray peak in a routine GC/MS analysis used to measure glycols. This method was not suitable for routine analysis of DMSD because of extreme carryover problems. MMST was discovered and identified using direct infusion electrospray ionization (ESI) mass spectrometry. The identification was confirmed by purchasing an MMST standard and analyzing it by HPLC with refractive index (RI) detection. An LC/MS method has been developed, based on the LC/RI method that quantifies both DMSD and MMST in a 14-minute isocratic run. This method employs atmospheric pressure chemical ionization (APCI) and a single quadrupole mass spectrometer operated in negative mode with selected ion monitoring.

  2. Enhancement of flame retardancy and water repellency properties of cotton fabrics using silanol based nano composites.

    Science.gov (United States)

    Mohamed, Amina L; El-Sheikh, Manal A; Waly, Ahmed I

    2014-02-15

    Environmental concerns related to fluorinated and organophosphorus compounds led to a consideration of the methods for imparting flame retardancy and water/oil repellency to textiles. A simple and facile method for fabricating the cotton fabric with superhydrophobicity and flame retardancy is described in the present work. Complex coating with amino-functionalized silica nano-particles on epoxy-functionalized cotton accompanied with ZnO nano-particles coating are carried out. In This context, new preparation techniques were used to prepare both aminated silica and ZnO nano-particles. The particle size was investigated using Transition Electron Microscope (TEM) and the chemical structure was investigated using FT-IR analysis and other analytical techniques. Cotton was functionalized with epoxy and carboxyl via grafting cotton with nano-emulsion consisted of mixture of glycidyl methacrylate (GMA) and acrylic acid (AA), and then treated for functional finishing through conventional pad-dry-cure method. The treated fabrics showed good water repellency and excellent flame retardant properties as determined by the standard test methods. Copyright © 2013 Elsevier Ltd. All rights reserved.

  3. Lie Group Analysis for Boundary Layer Flow of Nanofluids near the Stagnation-Point over a Permeable Stretching Surface Embedded in a Porous Medium in the Presence of Radiation and Heat Generation/Absorption

    Directory of Open Access Journals (Sweden)

    P. Sreenivasulu

    2015-01-01

    Full Text Available This study investigates the influence of thermal radiation and heat generation/absorption on a two dimensional steady boundary layer flow near the stagnation-point on a permeable stretching sheet in a porous medium saturated with nanofluids. The governing partial differential equations with the appropriate boundary conditions are reduced to a set of ordinary differential equations via Lie-group analysis. The resultant equations are then solved numerically using Runge - Kutta fourth order method along with shooting technique. Two types of nanofluids, namely, copper-water and alumina-water are considered. The velocity and temperature as well as the shear stress and heat transfer rates are computed. The influence of pertinent parameters such as radiation parameter Nr, nanofluid volume fraction parameter , the ratio of free stream velocity and stretching velocity parameter a/c , the permeability parameter K1, suction/blowing parameter S, and heat source/sink parameter  on the flow and heat transfer characteristics is discussed. The present study helps to understand the efficiency of heat transfer transport in nanofluids which are likely to be the smart coolants of the next generation.

  4. Investigation on the mechanism of aminosilane-mediated bonding of thermoplastics and poly(dimethylsiloxane).

    Science.gov (United States)

    Sunkara, Vijaya; Cho, Yoon-Kyoung

    2012-12-01

    A possible mechanism for the aminosilane-mediated room-temperature (RT) bonding of thermoplastics and poly(dimethylsiloxane) (PDMS) is presented. The plasma-activated thermoplastic or PDMS substrates were modified with alkoxy silanes having different organo functional groups, and their bonding characteristics were studied. Manual peeling tests revealed that strong bonding was realized only when the silane had a free amino group and at least two alkoxy groups on the silicon. Silanization was carried out in both aqueous and anhydrous conditions; bonding occurred readily at RT in the former case, but a longer incubation time or a higher temperature was needed for the latter. The presence of the silane on the surface was confirmed by contact-angle measurements and UV spectrophotometric, attenuated total reflectance infrared spectroscopic (ATR-IR) and X-ray photoelectron spectroscopic (XPS) analyses. In the case where the aminosilane was deposited from aqueous solution, the amino functionality of the silane-catalyzed siloxane bond formation between the silanol on the modified thermoplastic surface and the silanol of the plasma-activated PDMS. In the case of anhydrous phase deposition, the aminosilane first catalyzed the hydrolysis of the ethoxy groups on the silicon, and then, catalyzed the condensation between the silanol groups of both materials. Shelf life tests of the modified thermoplastics showed that the aminosilane was stable over 2 weeks, and that bonding occurred at RT when the substrates were soaked in water before bonding.

  5. Group Work: How to Use Groups Effectively

    Science.gov (United States)

    Burke, Alison

    2011-01-01

    Many students cringe and groan when told that they will need to work in a group. However, group work has been found to be good for students and good for teachers. Employers want college graduates to have developed teamwork skills. Additionally, students who participate in collaborative learning get better grades, are more satisfied with their…

  6. Small Group Research

    Science.gov (United States)

    McGrath, Joseph E.

    1978-01-01

    Summarizes research on small group processes by giving a comprehensive account of the types of variables primarily studied in the laboratory. These include group structure, group composition, group size, and group relations. Considers effects of power, leadership, conformity to social norms, and role relationships. (Author/AV)

  7. Free Boolean Topological Groups

    Directory of Open Access Journals (Sweden)

    Ol’ga Sipacheva

    2015-11-01

    Full Text Available Known and new results on free Boolean topological groups are collected. An account of the properties that these groups share with free or free Abelian topological groups and properties specific to free Boolean groups is given. Special emphasis is placed on the application of set-theoretic methods to the study of Boolean topological groups.

  8. Surface reconstructions

    CERN Document Server

    Fisher, David J

    2009-01-01

    It is well-known, even at the most elementary level of scientific knowledge, that free surfaces have properties which make them differ from the underlying bulk material. In the case of liquids, it is common knowledge - even among laymen - that the liquid surface acts as though it were a distinct skin-like material. At a slightly more advanced level, it is known that the liquid surface will seek to minimize its total surface energy by minimizing its surface area; thereby affecting its local vapor-pressure and adsorption behavior. In the case of solids too, it has long been known that different

  9. Surface chemistry

    CERN Document Server

    Desai, KR

    2008-01-01

    The surface Chemistry of a material as a whole is crucially dependent upon the Nature and type of surfaces exposed on crystallites. It is therefore vitally important to independently Study different, well - defined surfaces through surface analytical techniques. In addition to composition and structure of surface, the subject also provides information on dynamic light scattering, micro emulsions, colloid Stability control and nanostructures. The present book endeavour to bring before the reader that the understanding and exploitation of Solid state phenomena depended largely on the ability to

  10. Multifunctional thin film surface

    Energy Technology Data Exchange (ETDEWEB)

    Brozik, Susan M.; Harper, Jason C.; Polsky, Ronen; Wheeler, David R.; Arango, Dulce C.; Dirk, Shawn M.

    2015-10-13

    A thin film with multiple binding functionality can be prepared on an electrode surface via consecutive electroreduction of two or more aryl-onium salts with different functional groups. This versatile and simple method for forming multifunctional surfaces provides an effective means for immobilization of diverse molecules at close proximities. The multifunctional thin film has applications in bioelectronics, molecular electronics, clinical diagnostics, and chemical and biological sensing.

  11. Preparation and characterization of PDMS/PMMA core-shell latex particles having functional group in surface layer%表层功能化PDMS/PMMA核壳乳胶粒子的制备与表征

    Institute of Scientific and Technical Information of China (English)

    张国青; 刘喜军

    2014-01-01

    In this paper, the polydimethyl siloxane/polymethyl methacrylate(PDMS/PMMA)core-shell latex particles (-320 nm)respectively with itaconic acid(ITA),maleic anhydride(MAH)and glycidyl methacrylate(GMA) as functional monomer in surface layer were successfully synthesized employing pre-emulsification semi-continuous process by seeded emulsion polymerization method. Octamethyl cyclotetrasiloxane(D 4 )and Tetravinyl tetramethyl cyelotetrasiloxane as the main monomer were compounded to form PDMS core latex particles with methyl triethoxysilane(MTES)as cross-linking agent. The effects of the reaction time, surfactant and catalyst concentration, and the ratio of D 4 and VD 4 on the polymerization system were studied, and the optimal synthesizing process of PDMS core latex particles was defined.By laser particle size analyzer, Fourier transform infrared spectrometer and transmission electron microscopy analysis showed that the core monomer conversion was nearly 85%and PDMS latex particle size was at about 290 nm when the reaction time was 10 h,surfactant concentration was 5.3%, catalyst concentration was 5.3%,and D4∶VD4=4∶1.%分别以衣康酸(ITA)、马来酸酐(MAH)和甲基丙烯酸缩水甘油酯(GMA)为功能单体,采用预乳化半连续工艺通过种子乳液聚合方法成功合成了表层功能化的聚二甲基硅氧烷/聚甲基丙烯酸甲酯(PDMS/PMMA)核壳乳胶粒子(~320 nm)。PDMS核乳胶粒子以八甲基环四硅氧烷(D 4)和四甲基四乙烯基环四硅氧烷(VD 4)为单体、甲基三乙氧基硅烷(MTES)为交联剂构建而成,实验研究了反应时间、乳化剂和催化剂用量、单体D 4与VD 4比例对聚合体系的影响,并确定了PDMS核乳胶粒子合成最佳工艺。通过激光粒度分析仪、傅里叶变换红外光谱仪、透射电子显微镜等分析表明:当反应时间为10 h、乳化剂用量为核单体总量的5.3%、催化剂用量为核单体总量的5.3%

  12. MSUD Family Support Group

    Science.gov (United States)

    ... Group The MSUD Family Support Group is a non-profit 501 (c)(3) organization for those with MSUD ... Family Support Group is a 501(c)(3) non-profit organization with no paid staff. Funds are needed ...

  13. Profinite graphs and groups

    CERN Document Server

    Ribes, Luis

    2017-01-01

    This book offers a detailed introduction to graph theoretic methods in profinite groups and applications to abstract groups. It is the first to provide a comprehensive treatment of the subject. The author begins by carefully developing relevant notions in topology, profinite groups and homology, including free products of profinite groups, cohomological methods in profinite groups, and fixed points of automorphisms of free pro-p groups. The final part of the book is dedicated to applications of the profinite theory to abstract groups, with sections on finitely generated subgroups of free groups, separability conditions in free and amalgamated products, and algorithms in free groups and finite monoids. Profinite Graphs and Groups will appeal to students and researchers interested in profinite groups, geometric group theory, graphs and connections with the theory of formal languages. A complete reference on the subject, the book includes historical and bibliographical notes as well as a discussion of open quest...

  14. Homomorphisms of quantum groups

    CERN Document Server

    Meyer, Ralf; Woronowicz, Stanisław Lech

    2010-01-01

    We introduce some equivalent notions of homomorphisms between quantum groups that behave well with respect to duality of quantum groups. Our equivalent definitions are based on bicharacters, coactions, and universal quantum groups, respectively.

  15. Food Groups Recipes

    OpenAIRE

    2012-01-01

    15 pages In 2011, My Plate replaced the Food Pyramid as a visual representation for the USDA Dietary Guidelines. This publication, a group of recipes based on this new division of food groups, reflects the effort of the USDA and other groups to translate science-based research into everyday practice for Americans. Fifteen recipes (3 from each food group) show ways to use foods from each food group. They are complete with basic nutritional analyses and food group amounts.

  16. Photochemical synthesis of simple organic free radicals on simulated planteary surfaces-an ESR study.

    Science.gov (United States)

    Tseng, S S; Chang, S

    1975-01-01

    Electron spin resonance spectroscopy provided evidence for formation of hydroxyl radicals during ultraviolet photolysis (254 nm) at -170C of H2O adsorbed on silica gel or of silica gel alone. The carboxyl radical was observed when CO or CO2 or a mixture of CO and CO2 absorbed on silica gel at -170C was irradiated. The ESR signals of these radicals slowly disappeared when the irradiated samples were warmed to room temperature. However, re-irradiation of CO or CO2, or the mixture CO and CO2 on silica gel at room temperature then produced a new species, the carbon dioxide anion radical, which slowly decayed and which was identical with that produced by direct photolysis of formic acid adsorbed on silica gel. The primary photochemical process may involve formation of hydrogen and hydroxyl radicals by means of (1) photodissociation of H2O physically adsorbed on the silica gel, or (2) absorption of the excitation energy by the silica gel surface with subsequent cleavage of the silanol bonds, or (3) dissociation of H2O molecules throug photosensitization by the surfaces or a combination of (1) to (3). Subsequent reactions of these radicals with adsorbed CO or CO2 or both yield carboxyl radicals, CO2H, the precsursors of formic acid. Our results confirm the formation of formic acid under simulated Martian conditions and provide a mechanistic basis for gauging the potential importance of gas-solid photochemistry for chemical evolution on other extraterrestrial bodies, on the primitive earth and on dust grains in the interstellar medium.

  17. Locally minimal topological groups

    OpenAIRE

    Außenhofer, Lydia; Chasco, María Jesús; Dikranjan, Dikran; Domínguez, Xabier

    2009-01-01

    A Hausdorff topological group $(G,\\tau)$ is called locally minimal if there exists a neighborhood $U$ of 0 in $\\tau$ such that $U$ fails to be a neighborhood of zero in any Hausdorff group topology on $G$ which is strictly coarser than $\\tau.$ Examples of locally minimal groups are all subgroups of Banach-Lie groups, all locally compact groups and all minimal groups. Motivated by the fact that locally compact NSS groups are Lie groups, we study the connection between local minimality and the ...

  18. GROUP PROFILE Computer Technique

    Directory of Open Access Journals (Sweden)

    Andrey V. Sidorenkov

    2015-01-01

    Full Text Available This article contains a description of the structure, the software and functional capabilities, and the scope and purposes of application of the Group Profile (GP computer technique. This technique rests on a conceptual basis (the microgroup theory, includes 16 new and modified questionnaires, and a unique algorithm, tied to the questionnaires, for identification of informal groups. The GP yields a wide range of data about the group as a whole (47 indices, each informal group (43 indices, and each group member (16 indices. The GP technique can be used to study different types of groups: production (work groups, design teams, military units, etc., academic (school classes, student groups, and sports.

  19. Surface glycosylation of polymeric membranes

    Institute of Scientific and Technical Information of China (English)

    DAI ZhengWei; WAN LingShu; XU ZhiKang

    2008-01-01

    Surface glycosylation of polymeric membranes has been inspired by the structure of natural biomembranes. It refers to that glycosyl groups are introduced onto the membrane surface by various strategies, which combine the separation function of the membrane with the biological function of the saccharides in one system. In this review, progress in the surface glycosylation of polymeric membranes is highlighted in two aspects, i.e. the glycosylation methods and the potential applications of the surface-glycosylated membranes.

  20. New insight into electrochemical-induced synthesis of NiAl{sub 2}O{sub 4}/Al{sub 2}O{sub 3}: Synergistic effect of surface hydroxyl groups and magnetism for enhanced adsorptivity of Pd(II)

    Energy Technology Data Exchange (ETDEWEB)

    Salleh, N.F.M. [Department of Chemical Engineering, Faculty of Chemical Engineering, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, Johor (Malaysia); Jalil, A.A., E-mail: aishah@cheme.utm.my [Department of Chemical Engineering, Faculty of Chemical Engineering, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, Johor (Malaysia); Centre of Hydrogen Energy, Institute of Future Energy, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, Johor (Malaysia); Triwahyono, S. [Department of Chemistry, Faculty of Science, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, Johor (Malaysia); Efendi, J. [Department of Chemistry, Universitas Negeri Padang, Jl. Prof. Hamka, Air Tawar, Padang, West Sumatera (Indonesia); Mukti, R.R. [Division of Inorganic and Physical Chemistry, Faculty of Mathematics and Natural Science, Institut Teknologi Bandung, Jl Ganesha No 10, Bandung 40132 (Indonesia); Hameed, B.H. [School of Chemical Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia)

    2015-09-15

    Graphical abstract: - Highlights: • The introduction of Ni to γ-Al{sub 2}O{sub 3} by electrolysis formed NiAl{sub 2}O{sub 4} spinels and NiO. • Physical mixed of NiO with γ-Al{sub 2}O{sub 3} only produced agglomerated NiO-Ni{sup 0}. • Ni/Al{sub 2}O{sub 3}-E has remarkably higher degree of magnetism than Ni/Al{sub 2}O{sub 3}-PM. • Ni/Al{sub 2}O{sub 3}-E adsorbed Pd{sup 2+} ions more effectively (q{sub m} = 40.3 mg/g) than Ni/Al{sub 2}O{sub 3}-PM. • Pd{sup 2+} ions were adsorbed to both samples via magnetic attraction and ion exchange. - Abstract: A new promising adsorbent, Ni supported on γ-Al{sub 2}O{sub 3} was prepared in a simple electrolysis system (Ni/Al{sub 2}O{sub 3}-E) in minutes and was compared with the sample prepared by a physical mixing method (Ni/Al{sub 2}O{sub 3}-PM). The adsorbents were characterized by XRD, TEM, FTIR, {sup 27}Al MAS NMR, XPS, and VSM. The results showed that besides NiO nanoparticles, a NiAl{sub 2}O{sub 4} spinel was also formed in Ni/Al{sub 2}O{sub 3}-E during the electrolysis via the dealumination and isomorphous substitution of Ni{sup 2+} ions. In contrast, only agglomerated NiO was found in the Ni/Al{sub 2}O{sub 3}-PM. Adsorption test on removal of Pd{sup 2+} ions from aqueous solution showed that the Pd{sup 2+} ions were exchanged with the hydrogen atoms of the surface–OH groups of both adsorbents. Significantly, the Ni/Al{sub 2}O{sub 3}-E demonstrated a higher adsorption towards Pd{sup 2+} ions than Ni/Al{sub 2}O{sub 3}-PM due to its remarkably higher degree of magnetism, which came from the NiAl{sub 2}O{sub 4}. The use of 0.1 g L{sup −1} Ni/Al{sub 2}O{sub 3}-E gave the maximum monolayer adsorption capacity (q{sub m}) of 40.3 mg g{sup −1} at 303 K and pH 5. The Ni/Al{sub 2}O{sub 3}-E showed high potential for simultaneous removal of various noble and transition metal ions and could be also used repetitively without affecting the high adsorptivity for Pd{sup 2+} ions. This work may provide promising

  1. Ordered groups and infinite permutation groups

    CERN Document Server

    1996-01-01

    The subjects of ordered groups and of infinite permutation groups have long en­ joyed a symbiotic relationship. Although the two subjects come from very different sources, they have in certain ways come together, and each has derived considerable benefit from the other. My own personal contact with this interaction began in 1961. I had done Ph. D. work on sequence convergence in totally ordered groups under the direction of Paul Conrad. In the process, I had encountered "pseudo-convergent" sequences in an ordered group G, which are like Cauchy sequences, except that the differences be­ tween terms of large index approach not 0 but a convex subgroup G of G. If G is normal, then such sequences are conveniently described as Cauchy sequences in the quotient ordered group GIG. If G is not normal, of course GIG has no group structure, though it is still a totally ordered set. The best that can be said is that the elements of G permute GIG in an order-preserving fashion. In independent investigations around that t...

  2. PREFACE: Nanostructured surfaces

    Science.gov (United States)

    Palmer, Richard E.

    2003-10-01

    We can define nanostructured surfaces as well-defined surfaces which contain lateral features of size 1-100 nm. This length range lies well below the micron regime but equally above the Ångstrom regime, which corresponds to the interatomic distances on single-crystal surfaces. This special issue of Journal of Physics: Condensed Matter presents a collection of twelve papers which together address the fabrication, characterization, properties and applications of such nanostructured surfaces. Taken together they represent, in effect, a status report on the rapid progress taking place in this burgeoning area. The first four papers in this special issue have been contributed by members of the European Research Training Network ‘NanoCluster’, which is concerned with the deposition, growth and characterization of nanometre-scale clusters on solid surfaces—prototypical examples of nanoscale surface features. The paper by Vandamme is concerned with the fundamentals of the cluster-surface interaction; the papers by Gonzalo and Moisala address, respectively, the optical and catalytic properties of deposited clusters; and the paper by van Tendeloo reports the application of transmission electron microscopy (TEM) to elucidate the surface structure of spherical particles in a catalyst support. The fifth paper, by Mendes, is also the fruit of a European Research Training Network (‘Micro-Nano’) and is jointly contributed by three research groups; it reviews the creation of nanostructured surface architectures from chemically-synthesized nanoparticles. The next five papers in this special issue are all concerned with the characterization of nanostructured surfaces with scanning tunnelling microscopy (STM) and atomic force microscopy (AFM). The papers by Bolotov, Hamilton and Dunstan demonstrate that the STM can be employed for local electrical measurements as well as imaging, as illustrated by the examples of deposited clusters, model semiconductor structures and real

  3. Communication in Organizational Groups

    OpenAIRE

    Monica RADU

    2007-01-01

    Organizational group can be defined as some persons between who exist interactive connections (functional, communication, affective, normative type). Classification of these groups can reflect the dimension, type of relationship or type of rules included. Organizational groups and their influence over the individual efficiency and the efficiency of the entire group are interconnected. Spontaneous roles in these groups sustain the structure of the relationship, and the personality of each indi...

  4. Slowing Down Surface Plasmons on a Moiré Surface

    Science.gov (United States)

    Kocabas, Askin; Senlik, S. Seckin; Aydinli, Atilla

    2009-02-01

    We have demonstrated slow propagation of surface plasmons on metallic Moiré surfaces. The phase shift at the node of the Moiré surface localizes the propagating surface plasmons and adjacent nodes form weakly coupled plasmonic cavities. Group velocities around vg=0.44c at the center of the coupled cavity band and almost a zero group velocity at the band edges are observed. A tight binding model is used to understand the coupling behavior. Furthermore, the sinusoidally modified amplitude about the node suppresses the radiation losses and reveals a relatively high quality factor (Q=103).

  5. Superhydrophobic surfaces

    Science.gov (United States)

    Wang, Evelyn N; McCarthy, Matthew; Enright, Ryan; Culver, James N; Gerasopoulos, Konstantinos; Ghodssi, Reza

    2015-03-24

    Surfaces having a hierarchical structure--having features of both microscale and nanoscale dimensions--can exhibit superhydrophobic properties and advantageous condensation and heat transfer properties. The hierarchical surfaces can be fabricated using biological nanostructures, such as viruses as a self-assembled nanoscale template.

  6. Triazatriangulene as binding group for molecular electronics

    DEFF Research Database (Denmark)

    Wei, Zhongming; Wang, Xintai; Borges, Anders

    2014-01-01

    The triazatriangulene (TATA) ring system was investigated as a binding group for tunnel junctions of molecular wires on gold surfaces. Self-assembled monolayers (SAMs) of TATA platforms with three different lengths of phenylene wires were fabricated, and their electrical conductance was recorded ...... with its high stability and directionality make this binding group very attractive for molecular electronic measurements and devices. (Figure Presented)....

  7. The fundamental group of an algebraic curve

    NARCIS (Netherlands)

    Jong, Johan de; Oort, F.

    2001-01-01

    Seminar on Algebraic Geometry, MIT 2002 In this seminar we study geometric properties of algebraic curves, or of Riemann surfaces. with the help of an algebraic object attached: the fundamental group, either the algebraic fundamental group, as introduced by Grothendieck, or the topological fundamen

  8. Group Psychotherapy in Iceland.

    Science.gov (United States)

    Ívarsson, Ómar

    2015-10-01

    In this overview of group psychotherapy in Iceland, an attempt will be made to describe how it is practiced today, give some glimpses into its earlier history, and clarify seven issues: (1) the standing of group psychotherapy in Iceland, its previous history, and the theoretical orientation of dynamic group therapy in the country; (2) the role of group therapy in the health care system; (3) how training in group therapy is organized; (4) the relationship between group psychotherapy research and clinical practice; (5) which issues/processes can be identified as unique to therapy groups in Iceland; and (6) how important are group-related issues within the social background of the country; and (7) what group work holds for the future.

  9. Locally minimal topological groups

    CERN Document Server

    enhofer, Lydia Au\\ss; Dikranjan, Dikran; Domínguez, Xabier

    2009-01-01

    A Hausdorff topological group $(G,\\tau)$ is called locally minimal if there exists a neighborhood $U$ of 0 in $\\tau$ such that $U$ fails to be a neighborhood of zero in any Hausdorff group topology on $G$ which is strictly coarser than $\\tau.$ Examples of locally minimal groups are all subgroups of Banach-Lie groups, all locally compact groups and all minimal groups. Motivated by the fact that locally compact NSS groups are Lie groups, we study the connection between local minimality and the NSS property, establishing that under certain conditions, locally minimal NSS groups are metrizable. A symmetric subset of an abelian group containing zero is said to be a GTG set if it generates a group topology in an analogous way as convex and symmetric subsets are unit balls for pseudonorms on a vector space. We consider topological groups which have a neighborhood basis at zero consisting of GTG sets. Examples of these locally GTG groups are: locally pseudo--convex spaces, groups uniformly free from small subgroups (...

  10. Nanocrystalline cellulose with various contents of sulfate groups.

    Science.gov (United States)

    Voronova, M I; Surov, O V; Zakharov, A G

    2013-10-15

    Properties of films derived from aqueous nanocrystalline cellulose dispersions by water evaporation depend on concentration of sulfate groups. Namely type of thermodestruction and surface morphology change as a function of contents of sulfate groups. Surface roughness increases and water adsorption enhances with increasing sulfate groups content particularly at high relative pressure.

  11. Cyclic $n$-gonal Surfaces

    CERN Document Server

    Broughton, S Allen

    2010-01-01

    A cyclic $n$-gonal surface is a compact Riemann surface $X$ of genus $g\\geq 2$ admitting a cyclic group of conformal automorphisms $C$ of order $n$ such that the quotient space $X/C$ has genus 0. In this paper, we provide an overview of ongoing research into automorphism groups of cyclic $n$-gonal surfaces. Much of the paper is expository or will appear in forthcoming papers, so proofs are usually omitted. Numerous explicit examples are presented illustrating the computational methods currently being used to study these surfaces.

  12. Higher arithmetic Chow groups

    CERN Document Server

    Gil, J I Burgos

    2009-01-01

    We give a new construction of higher arithmetic Chow groups for quasi-projective arithmetic varieties over a field. Our definition agrees with the higher arithmetic Chow groups defined by Goncharov for projective arithmetic varieties over a field. These groups are the analogue, in the Arakelov context, of the higher algebraic Chow groups defined by Bloch. The degree zero group agrees with the arithmetic Chow groups of Burgos. Our new construction is shown to be a contravariant functor and is endowed with a product structure, which is commutative and associative.

  13. Higgs bundles and the real symplectic group

    CERN Document Server

    Gothen, Peter B

    2011-01-01

    We give an overview of the work of Corlette, Donaldson, Hitchin and Simpson leading to the non-abelian Hodge theory correspondence between representations of the fundamental group of a surface and the moduli space of Higgs bundles. We then explain how this can be generalized to a correspondence between character varieties for representations of surface groups in real Lie groups G and the moduli space of G-Higgs bundles. Finally we survey recent joint work with Bradlow, Garc\\'ia-Prada and Mundet i Riera on the moduli space of maximal Sp(2n,R)-Higgs bundles.

  14. Working with Groups.

    Science.gov (United States)

    Morris, Joan, Ed.

    1984-01-01

    Describes nine Canadian programs for counseling groups of students. Topics include introducing computer-assisted guidance, future challenges for counselors, sociometry, sexuality, parent counseling, reluctant students, shyness, peer groups, education for living, and guidance advisory committees. (JAC)

  15. Gestalt Interactional Groups

    Science.gov (United States)

    Harman, Robert L.; Franklin, Richard W.

    1975-01-01

    Gestalt therapy in groups is not limited to individual work in the presence of an audience. Describes several ways to involve gestalt groups interactionally. Interactions described focus on learning by doing and discovering, and are noninterpretive. (Author/EJT)

  16. Group B streptococcus - pregnancy

    Science.gov (United States)

    ... page: //medlineplus.gov/ency/patientinstructions/000511.htm Group B streptococcus - pregnancy To use the sharing features on this page, please enable JavaScript. Group B streptococcus (GBS) is a type of bacteria that ...

  17. Group Decision Process Support

    DEFF Research Database (Denmark)

    Gøtze, John; Hijikata, Masao

    1997-01-01

    Introducing the notion of Group Decision Process Support Systems (GDPSS) to traditional decision-support theorists.......Introducing the notion of Group Decision Process Support Systems (GDPSS) to traditional decision-support theorists....

  18. About group digital signatures

    Directory of Open Access Journals (Sweden)

    Adriana Cristina Enache

    2012-09-01

    Full Text Available

    Group signatures try to combine security (no framing, no cheating and privacy(anonymity, unlinkability.A group digital signature is a digital signature with enhanced privacy features that allows members of a given group to anonymously sign messages on behalf of the group, producing a group signature. However, in the case of dispute the identity of the signature's originator can be revealed by a designated entity (group manager. The present paper describes the main concepts about group signatures, along with a brief state of the art and shows a personal cryptographic library implemented in Java that includes two group signatures.

  19. Fast Overlapping Group Lasso

    CERN Document Server

    Liu, Jun

    2010-01-01

    The group Lasso is an extension of the Lasso for feature selection on (predefined) non-overlapping groups of features. The non-overlapping group structure limits its applicability in practice. There have been several recent attempts to study a more general formulation, where groups of features are given, potentially with overlaps between the groups. The resulting optimization is, however, much more challenging to solve due to the group overlaps. In this paper, we consider the efficient optimization of the overlapping group Lasso penalized problem. We reveal several key properties of the proximal operator associated with the overlapping group Lasso, and compute the proximal operator by solving the smooth and convex dual problem, which allows the use of the gradient descent type of algorithms for the optimization. We have performed empirical evaluations using the breast cancer gene expression data set, which consists of 8,141 genes organized into (overlapping) gene sets. Experimental results demonstrate the eff...

  20. Generalized Group Signature Scheme

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The concept of generalized group signature scheme will bepresent. Based on the generalized secret sharing scheme proposed by Lin and Ha rn, a non-interactive approach is designed for realizing such generalized group signature scheme. Using the new scheme, the authorized subsets of the group in w hich the group member can cooperate to produce the valid signature for any messa ge can be randomly specified

  1. Multicultural group work

    DEFF Research Database (Denmark)

    Hansen, Annette Skovsted

    2014-01-01

    Motivation for the activity I use this strategy for forming groups to ensure diverse/multicultural groups that combine a variety of different strengths and resources based on student's academic, disciplinary, linguistic, national, personal and work backgrounds.......Motivation for the activity I use this strategy for forming groups to ensure diverse/multicultural groups that combine a variety of different strengths and resources based on student's academic, disciplinary, linguistic, national, personal and work backgrounds....

  2. Groups, combinatorics and geometry

    CERN Document Server

    Ivanov, A A; Saxl, J

    2003-01-01

    Over the past 20 years, the theory of groups in particular simplegroups, finite and algebraic has influenced a number of diverseareas of mathematics. Such areas include topics where groups have beentraditionally applied, such as algebraic combinatorics, finitegeometries, Galois theory and permutation groups, as well as severalmore recent developments.

  3. Asymmetry within social groups

    DEFF Research Database (Denmark)

    Barker, Jessie; Loope, Kevin J.; Reeve, H. Kern

    2016-01-01

    Social animals vary in their ability to compete with group members over shared resources and also vary in their cooperative efforts to produce these resources. Competition among groups can promote within-group cooperation, but many existing models of intergroup cooperation do not explicitly account...

  4. Higher arithmetic Chow groups

    DEFF Research Database (Denmark)

    Gil, J. I. Burgos; Feliu, Elisenda

    2012-01-01

    We give a new construction of higher arithmetic Chow groups for quasi-projective arithmetic varieties over a field. Our definition agrees with the higher arithmetic Chow groups defined by Goncharov for projective arithmetic varieties over a field. These groups are the analogue, in the Arakelov co...

  5. Surface boxplots

    KAUST Repository

    Genton, Marc G.

    2014-01-22

    In this paper, we introduce a surface boxplot as a tool for visualization and exploratory analysis of samples of images. First, we use the notion of volume depth to order the images viewed as surfaces. In particular, we define the median image. We use an exact and fast algorithm for the ranking of the images. This allows us to detect potential outlying images that often contain interesting features not present in most of the images. Second, we build a graphical tool to visualize the surface boxplot and its various characteristics. A graph and histogram of the volume depth values allow us to identify images of interest. The code is available in the supporting information of this paper. We apply our surface boxplot to a sample of brain images and to a sample of climate model outputs.

  6. Work group diversity.

    Science.gov (United States)

    van Knippenberg, Daan; Schippers, Michaéla C

    2007-01-01

    Work group diversity, the degree to which there are differences between group members, may affect group process and performance positively as well as negatively. Much is still unclear about the effects of diversity, however. We review the 1997-2005 literature on work group diversity to assess the state of the art and to identify key issues for future research. This review points to the need for more complex conceptualizations of diversity, as well as to the need for more empirical attention to the processes that are assumed to underlie the effects of diversity on group process and performance and to the contingency factors of these processes.

  7. Groups of Circle Diffeomorphisms

    CERN Document Server

    Navas, Andrés

    2011-01-01

    In recent years scholars from a variety of branches of mathematics have made several significant developments in the theory of group actions. Groups of Circle Diffeomorphisms systematically explores group actions on the simplest closed manifold, the circle. As the group of circle diffeomorphisms is an important subject in modern mathematics, this book will be of interest to those doing research in group theory, dynamical systems, low dimensional geometry and topology, and foliation theory. The book is mostly self-contained and also includes numerous complementary exercises, making it an excell

  8. On -nilpotent abelian groups

    Indian Academy of Sciences (India)

    Mohammad Mehdi Nasrabadi; Ali Gholamian

    2014-11-01

    Let be a group and $A = \\text{Aut}(G)$ be the group of automorphisms of . Then, the element $[g, ] = g^{-1}(g)$ is an autocommutator of $g \\in G$ and $ \\in A$. Hence, for any natural number the -th autocommutator subgroup of is defined as $K_{m}(G)=\\langle [g,_{1},\\ldots,_{m}]|g\\in G,_{1},\\ldots,_{m}\\in A\\rangle$, where $[g, _{1}, _{2},\\ldots, _{m}] = [[g,_{1},\\ldots,_{m−1}], _{m}]$. In this paper, we introduce the new notion of -nilpotent groups and classify all abelian groups which are -nilpotent groups.

  9. CHAOTIC GROUP ACTIONS

    Institute of Scientific and Technical Information of China (English)

    ShiEnhui; ZhouLizhen; ZhouYoucheng

    2003-01-01

    It is proved that there is no chaotic group actions on any topological space with free arc.In this paper the chaotic actions of the group like G×F,where F is a finite group,are studied.In particular,under a suitable assumption ,if F is a cyclic group,then the topological space which admits a chaotic action of Z×F must admit a chatotic homeomorphism.A topological space which admits a chaotic group action but admits no chaotic horneomorphism is constructed.

  10. Group I intron ribozymes

    DEFF Research Database (Denmark)

    Nielsen, Henrik

    2012-01-01

    Group I intron ribozymes constitute one of the main classes of ribozymes and have been a particularly important model in the discovery of key concepts in RNA biology as well as in the development of new methods. Compared to other ribozyme classes, group I intron ribozymes display considerable......, the intronic products of these pathways have the potential to integrate into targets and to form various types of circular RNA molecules. Thus, group I intron ribozymes and associated elements found within group I introns is a rich source of biological phenomena. This chapter provides a strategy and protocols...... for initial characterization of new group I intron ribozymes....

  11. Group theory I essentials

    CERN Document Server

    Milewski, Emil G

    2012-01-01

    REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Group Theory I includes sets and mapping, groupoids and semi-groups, groups, isomorphisms and homomorphisms, cyclic groups, the Sylow theorems, and finite p-groups.

  12. Surface phonons

    CERN Document Server

    Wette, Frederik

    1991-01-01

    In recent years substantial progress has been made in the detection of surface phonons owing to considerable improvements in inelastic rare gas scattering tech­ niques and electron energy loss spectroscopy. With these methods it has become possible to measure surface vibrations in a wide energy range for all wave vectors in the two-dimensional Brillouin zone and thus to deduce the complete surface phonon dispersion curves. Inelastic atomic beam scattering and electron energy loss spectroscopy have started to play a role in the study of surface phonons similar to the one played by inelastic neutron scattering in the investigation of bulk phonons in the last thirty years. Detailed comparison between experimen­ tal results and theoretical studies of inelastic surface scattering and of surface phonons has now become feasible. It is therefore possible to test and to improve the details of interaction models which have been worked out theoretically in the last few decades. At this point we felt that a concise, co...

  13. E-groups training

    CERN Multimedia

    HR Department

    2012-01-01

    There will be an e-groups training course on 16 March 2012 which will cover the main e-groups functionalities i.e.: creating and managing e-groups, difference between static and dynamic e-groups, configuring posting restrictions and archives, examples of where e-groups can be used in daily work. Even if you have already worked with e-groups, this may be a good opportunity to learn about the best practices and security related recommendations when using e-groups. You can find more details as well as enrolment form for the training (it’s free) here. The number of places is limited, so enrolling early is recommended.   Technical Training Tel. 72844

  14. Lectures on Chevalley groups

    CERN Document Server

    Steinberg, Robert

    2016-01-01

    Robert Steinberg's Lectures on Chevalley Groups were delivered and written during the author's sabbatical visit to Yale University in the 1967-1968 academic year. The work presents the status of the theory of Chevalley groups as it was in the mid-1960s. Much of this material was instrumental in many areas of mathematics, in particular in the theory of algebraic groups and in the subsequent classification of finite groups. This posthumous edition incorporates additions and corrections prepared by the author during his retirement, including a new introductory chapter. A bibliography and editorial notes have also been added. This is a great unsurpassed introduction to the subject of Chevalley groups that influenced generations of mathematicians. I would recommend it to anybody whose interests include group theory. -Efim Zelmanov, University of California, San Diego Robert Steinberg's lectures on Chevalley groups were given at Yale University in 1967. The notes for the lectures contain a wonderful exposition of ...

  15. Surface chemistry of kaolinite and Na-montmorillonite in aqueous electrolyte solutions at 25 and 60 °C: Experimental and modeling study

    Science.gov (United States)

    Tertre, E.; Castet, S.; Berger, G.; Loubet, M.; Giffaut, E.

    2006-09-01

    The aqueous interfacial chemistry of kaolinite and Na-montmorillonite samples was investigated by potentiometric measurements using acid/base continuous titrations and batch experiments at 25 and 60 °C. Using the batch experimental method, a continuous drift of pH was observed reflecting the mineral dissolution. Consequently, the continuous titration method appears to be the best way of studying solid surface reactions. For each clay mineral, the net proton surface excess/consumption was calculated as a function of pH and ionic strength (0.025, 0.1 and 0.5 M). At 25 °C, and according to the literature data, the pH corresponding to zero net proton consumption for montmorillonite appears to depend on ionic strength, whereas the value for kaolinite is constant and close to 5. Similar results are obtained at 60 °C, which suggests that the point of zero net proton consumption for clay minerals does not depend on temperature, at least up to 60 °C. On the other hand, the temperature rise induces a slight increase of the net proton surface excess. Finally, the diffuse double layer formalism (DDLM) is used to model the experimental data. The model involves two processes: the protonation/deprotonation of two types of edge sites (aluminol and silanol) and H +/Na + exchange reactions on basal surfaces, while a tiny proportion of the negative structural charge remains uncompensated. This last process maintains a negative surface potential whatever the pH of the solution, which is in agreement with electrokinetic data.

  16. Trivalent expanders and hyperbolic surfaces

    CERN Document Server

    Ivrissimtzis, Ioannis; Vdovina, Alina

    2012-01-01

    We introduce a family of trivalent expanders which tessellate compact hyperbolic surfaces with large isometry groups. We compare this family with Platonic graphs and modifications of them and prove topological and spectral properties of these families.

  17. Group Psychotherapy in Italy.

    Science.gov (United States)

    Giannone, Francesca; Giordano, Cecilia; Di Blasi, Maria

    2015-10-01

    This article describes the history and the prevailing orientations of group psychotherapy in Italy (psychoanalytically oriented, psychodrama, CBT groups) and particularly group analysis. Provided free of charge by the Italian health system, group psychotherapy is growing, but its expansion is patchy. The main pathways of Italian training in the different group psychotherapy orientations are also presented. Clinical-theoretical elaboration on self development, psychopathology related to group experiences, and the methodological attention paid to objectives and methods in different clinical groups are issues related to group therapy in Italy. Difficulties in the relationship between research and clinical practice are discussed, as well as the empirical research network that tries to bridge the gap between research and clinical work in group psychotherapy. The economic crisis in Italy has led to massive cuts in health care and to an increasing demand for some forms of psychological treatment. For these reasons, and because of its positive cost-benefit ratio, group psychotherapy is now considered an important tool in the national health care system to expand the clinical response to different forms of psychological distress.

  18. Marked fatgraph complexes and surface automorphisms

    DEFF Research Database (Denmark)

    Kuno, Yusuke; Penner, Robert; Turaev, Vladimir

    2013-01-01

    Combinatorial aspects of the Torelli-Johnson-Morita theory of surface automorphisms are extended to certain subgroups of the mapping class groups. These subgroups are defined relative to a specified homomorphism from the fundamental group of the surface onto an arbitrary group $K$. For $K$ abelia...

  19. EFFECT OF SURFACE TREATMENT ON ENAMEL SURFACE ROUGHNESS

    Directory of Open Access Journals (Sweden)

    Şeyda Erşahan

    2016-01-01

    Full Text Available Purpose: To compare the effects of different methods of surface treatment on enamel roughness. Materials and Methods: Ninety human maxillary first premolars were randomly divided into three groups (n=30 according to type of enamel surface treatment: I, acid etching; II, Er:YAG laser; III, Nd:YAG laser. The surface roughness of enamel was measured with a noncontact optical profilometer. For each enamel sample, two readings were taken across the sample—before enamel surface treatment (T1 and after enamel surface treatment (T2. The roughness parameter analyzed was the average roughness (Ra. Statistical analysis was performed using a Paired sample t test and the post-hoc Mann- Whitney U test, with the significance level set at 0.05. Results: The highest Ra (average roughness values were observed for Group II, with a significant difference with Groups I and III (P<0.001. Ra values for the acid etching group (Group I were significantly lower than other groups (P<0.001. Conclusion: Surface treatment of enamel with Er:YAG laser and Nd:YAG laser results in significantly higher Ra than acid-etching. Both Er:YAG laser or Nd:YAG laser can be recommended as viable treatment alternatives to acid etching.

  20. Stability of surface nanobubbles

    Science.gov (United States)

    Maheshwari, Shantanu; van der Hoef, Martin; Zhang, Xuehua; Lohse, Detlef

    2015-11-01

    We have studied the stability and dissolution of surface nanobubbles on the chemical heterogenous surface by performing Molecular Dynamics (MD) simulations of binary mixture consists of Lennard-Jones (LJ) particles. Recently our group has derived the exact expression for equilibrium contact angle of surface nanobubbles as a function of oversaturation of the gas concentration in bulk liquid and the lateral length of bubble. It has been showed that the contact line pinning and the oversaturation of gas concentration in bulk liquid is crucial in the stability of surface nanobubbles. Our simulations showed that how pinning of the three-phase contact line on the chemical heterogenous surface lead to the stability of the nanobubble. We have calculated the equilibrium contact angle by varying the gas concentration in bulk liquid and the lateral length of the bubble. Our results showed that the equilibrium contact angle follows the expression derived analytically by our group. We have also studied the bubble dissolution dynamics and showed the ''stick-jump'' mechanism which was also observed experimentally in case of dissolution of nanodrops.