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Sample records for air-water interface predictive

  1. Methylglyoxal at the Air-Water Interface

    Science.gov (United States)

    Wren, S. N.; Gordon, B. P.; McWilliams, L.; Valley, N. A.; Richmond, G.

    2014-12-01

    Recently, it has been suggested that aqueous-phase processing of atmospheric α-dicarbonyl compounds such as methylglyoxal (MG) could constitute an important source of secondary organic aerosol (SOA). The uptake of MG to aqueous particles is higher than expected due to the fact that its carbonyl moieties can hydrate to form diols, as well as the fact that MG can undergo aldol condensation reactions to form larger oligomers in solution. MG is known to be surface active but an improved description of its surface behaviour is crucial to understanding MG-SOA formation, in addition to understanding its gas-to-particle partitioning and cloud forming potential. Here, we employ a combined experimental and theoretical approach involving vibrational sum frequency generation spectroscopy (VSFS), surface tensiometry, molecular dynamics simulations, and density functional theory calculations to study MG's surface adsorption, in both the presence and absence of salts. We are particularly interested in determining MG's hydration state at the surface. Our experimental results indicate that MG slowly adsorbs to the air-water interface and strongly perturbs the water structure there. This perturbation is enhanced in the presence of NaCl. Together our experimental and theoretical results suggest that singly-hydrated MG is the dominant form of MG at the surface.

  2. Powder wettability at a static air-water interface.

    Science.gov (United States)

    Dupas, Julien; Forny, Laurent; Ramaioli, Marco

    2015-06-15

    The reconstitution of a beverage from a dehydrated powder involves several physical mechanisms that determine the practical difficulty to obtain a homogeneous drink in a convenient way and within an acceptable time for the preparation of a beverage. When pouring powder onto static water, the first hurdle to overcome is the air-water interface. We propose a model to predict the percentage of powder crossing the interface in 45 s, namely the duration relevant for this application. We highlight theoretically the determinant role of the contact angle and of the particle size distribution. We validate experimentally the model for single spheres and use it to predict the wettability performance of commercial food powders for different contact angles and particles sizes. A good agreement is obtained when comparing the predictions and the wettability of the tested powders.

  3. Anisotropic diffusion of volatile pollutants at air-water interface

    Institute of Scientific and Technical Information of China (English)

    Li-ping CHEN; Jing-tao CHENG; Guang-fa DENG

    2013-01-01

    The volatile pollutants that spill into natural waters cause water pollution. Air pollution arises from the water pollution because of volatilization. Mass exchange caused by turbulent fluctuation is stronger in the direction normal to the air-water interface than in other directions due to the large density difference between water and air. In order to explore the characteristics of anisotropic diffusion of the volatile pollutants at the air-water interface, the relationship between velocity gradient and mass transfer rate was established to calculate the turbulent mass diffusivity. A second-order accurate smooth transition differencing scheme (STDS) was proposed to guarantee the boundedness for the flow and mass transfer at the air-water interface. Simulations and experiments were performed to study the trichloroethylene (C2HCl3) release. By comparing the anisotropic coupling diffusion model, isotropic coupling diffusion model, and non-coupling diffusion model, the features of the transport of volatile pollutants at the air-water interface were determined. The results show that the anisotropic coupling diffusion model is more accurate than the isotropic coupling diffusion model and non-coupling diffusion model. Mass transfer significantly increases with the increase of the air-water relative velocity at a low relative velocity. However, at a higher relative velocity, an increase in the relative velocity has no effect on mass transfer.

  4. Anisotropic diffusion of volatile pollutants at air-water interface

    Directory of Open Access Journals (Sweden)

    Li-ping CHEN

    2013-04-01

    Full Text Available The volatile pollutants that spill into natural waters cause water pollution. Air pollution arises from the water pollution because of volatilization. Mass exchange caused by turbulent fluctuation is stronger in the direction normal to the air-water interface than in other directions due to the large density difference between water and air. In order to explore the characteristics of anisotropic diffusion of the volatile pollutants at the air-water interface, the relationship between velocity gradient and mass transfer rate was established to calculate the turbulent mass diffusivity. A second-order accurate smooth transition differencing scheme (STDS was proposed to guarantee the boundedness for the flow and mass transfer at the air-water interface. Simulations and experiments were performed to study the trichloroethylene (C2HCl3 release. By comparing the anisotropic coupling diffusion model, isotropic coupling diffusion model, and non-coupling diffusion model, the features of the transport of volatile pollutants at the air-water interface were determined. The results show that the anisotropic coupling diffusion model is more accurate than the isotropic coupling diffusion model and non-coupling diffusion model. Mass transfer significantly increases with the increase of the air-water relative velocity at a low relative velocity. However, at a higher relative velocity, an increase in the relative velocity has no effect on mass transfer.

  5. Reacting chemistry at the air-water interface

    Science.gov (United States)

    Murakami, Tomoyuki; Morgan, Thomas; Huwel, Lutz; Graham, William

    2016-09-01

    Plasma interaction with gas-liquid interfaces is becoming increasingly important in biological applications, chemical analysis and medicine. It introduces electrons, new ionic species and reactive species and contributes to chemical and electrical self-organization at the interface. To provide insight into the associated physics and chemistry at work in the evolution of the plasma in the air-water interface (AWI), a time-dependent one-dimensional modelling has been developed. The numerical simulation is used to solve the kinetic equations and help identify the important reaction mechanisms and describe the phenomena associated with hundreds of reacting pathways in gas-phase and liquid-phase AWI chemistry. This work was partly supported by JSPS KAKENHI Grant Number 16K04998.

  6. Polydopamine Films from the Forgotten Air/Water Interface.

    Science.gov (United States)

    Ponzio, Florian; Payamyar, Payam; Schneider, Anne; Winterhalter, Mathias; Bour, Jérôme; Addiego, Frédéric; Krafft, Marie-Pierre; Hemmerle, Joseph; Ball, Vincent

    2014-10-02

    The formation of polydopamine under mild oxidation conditions from dopamine solutions with mechanical agitation leads to the formation of films that can functionalize all kinds of materials. In the absence of stirring of the solution, we report the formation of polydopamine films at the air/water interface (PDA A/W) and suggest that it arises from an homogeneous nucleation process. These films grow two times faster than in solution and can be deposited on hydrophilic or hydrophobic substrates by the Langmuir-Schaeffer technique. Thanks to this new method, porous and hydrophobic materials like polytetrafluoroethylene (PTFE) membranes can be completely covered with a 35 nm thick PDA A/W film after only 3h of reaction. Finally the oxidation of a monomer followed by a polymerization in water is not exclusive to polydopamine since we also transferred polyaniline functional films from the air/water interface to solid substrates. These findings suggest that self-assembly from a solution containing hydrophilic monomers undergoing a chemical transformation (here oxidation and oligomerization) could be a general method to produce films at the liquid/air interface.

  7. Langmuir films of petroleum at the air-water interface.

    Science.gov (United States)

    Vieira, Vinícius C C; Severino, Divinomar; Oliveira, Osvaldo N; Pavinatto, Felippe J; Zaniquelli, Maria E D; Ramos, Ana Paula; Baptista, Maurício S

    2009-11-03

    Understanding the behavior of petroleum films at the air/water interface is crucial for dealing with oil slicks and reducing the damages to the environment, which has normally been attempted with studies of Langmuir films made of fractions of petroleum. However, the properties of films from whole petroleum samples may differ considerably from those of individual fractions. Using surface pressure and surface potential measurements and Brewster angle and fluorescence microscopy, we show that petroleum forms a nonhomogeneous Langmuir film at the air-water interface. The surface pressure isotherms for petroleum Langmuir films exhibit gas (G), liquid-expanded (LE), and liquid-condensed phases, with almost no hysteresis in the compression-decompression cycles. Domains formed upon compression from the G to the LE phase were accompanied by an increase in fluorescence intensity with excitation at 400-440 nm owing to an increase in the surface density of the chromophores in the petroleum film. The surface pressure and the fluorescence microscopy data pointed to self-assembling domains into a pseudophase in thermodynamic equilibrium with other less emitting petroleum components. This hypothesis was supported by Brewster angle microscopy images, whereby the appearance of water domains even at high surface pressures confirms the tendency of petroleum to stabilize emulsion systems. The results presented here suggest that, for understanding the interaction with water, it may be more appropriate to use the whole petroleum samples rather than its fractions.

  8. Numerical Investigation of Transmission of Low Frequency Sound Through a Smooth Air-water Interface

    Institute of Scientific and Technical Information of China (English)

    Parviz Ghadimi; Alireza Bolghasi; Mohammad A Feizi Chekab; Rahim Zamanian

    2015-01-01

    It is the traditional belief that sound transmission from water to the air is very weak due to a large contrast between air and water impedances. Recently, the enhanced sound transmission and anomalous transparency of air-water interface have been introduced. Anomalous transparency of air-water interface states that the sound generated by a submerged shallow depth monopole point source localized at depths less than 1/10 sound wavelength, can be transmitted into the air with omni-directional pattern. The generated sound has 35 times higher power compared to the classical ray theory prediction. In this paper, sound transmission through air-water interface for a localized underwater shallow depth source is examined. To accomplish this, two-phase coupled Helmholtz wave equations in two-phase media of air-water are solved by the commercial finite element based COMSOL Multiphysics software. Ratios of pressure amplitudes of different sound sources in two different underwater and air coordinates are computed and analyzed against non-dimensional ratio of the source depth (D) to the sound wavelength (λ). The obtained results are compared with the experimental data and good agreement is displayed.

  9. Proton Transfers at the Air-Water Interface

    Science.gov (United States)

    Mishra, Himanshu

    Proton transfer reactions at the interface of water with hydrophobic media, such as air or lipids, are ubiquitous on our planet. These reactions orchestrate a host of vital phenomena in the environment including, for example, acidification of clouds, enzymatic catalysis, chemistries of aerosol and atmospheric gases, and bioenergetic transduction. Despite their importance, however, quantitative details underlying these interactions have remained unclear. Deeper insight into these interfacial reactions is also required in addressing challenges in green chemistry, improved water quality, self-assembly of materials, the next generation of micro-nanofluidics, adhesives, coatings, catalysts, and electrodes. This thesis describes experimental and theoretical investigation of proton transfer reactions at the air-water interface as a function of hydration gradients, electrochemical potential, and electrostatics. Since emerging insights hold at the lipid-water interface as well, this work is also expected to aid understanding of complex biological phenomena associated with proton migration across membranes. Based on our current understanding, it is known that the physicochemical properties of the gas-phase water are drastically different from those of bulk water. For example, the gas-phase hydronium ion, H3O +(g), can protonate most (non-alkane) organic species, whereas H 3O+(aq) can neutralize only relatively strong bases. Thus, to be able to understand and engineer water-hydrophobe interfaces, it is imperative to investigate this fluctuating region of molecular thickness wherein the 'function' of chemical species transitions from one phase to another via steep gradients in hydration, dielectric constant, and density. Aqueous interfaces are difficult to approach by current experimental techniques because designing experiments to specifically sample interfacial layers (quantum mechanics and molecular dynamics to simulate our experiments toward gaining insight at the

  10. Spreading of oil from protein stabilised emulsions at air/water interfaces

    NARCIS (Netherlands)

    Schokker, E.P.; Bos, M.A.; Kuijpers, A.J.; Wijnen, M.E.; Walstra, P.

    2002-01-01

    Spreading of a drop of an emulsion made with milk proteins on air/water interfaces was studied. From an unheated emulsion, all oil molecules could spread onto the air/water interface, indicating that the protein layers around the oil globules in the emulsion droplet were not coherent enough to

  11. Structure and dynamics of egg white ovalbumin adsorbed at the air/water interface

    NARCIS (Netherlands)

    Kudryashova, E.V.; Meinders, M.B.J.; Visser, A.J.W.G.; Hoek, A. van; Jongh, H.H.J. de

    2003-01-01

    The molecular properties of egg white ovalbumin adsorbed at the air/water interface were studied using infrared reflection absorption spectroscopy (IRRAS) and time-resolved fluorescence anisotropy (TRFA) techniques. Ovalbumin adsorbed at the air/ water interface adopts a characteristic partially unf

  12. Detachment of deposited colloids by advancing and receding air-water interfaces.

    Science.gov (United States)

    Aramrak, Surachet; Flury, Markus; Harsh, James B

    2011-08-16

    Moving air-water interfaces can detach colloidal particles from stationary surfaces. The objective of this study was to quantify the effects of advancing and receding air-water interfaces on colloid detachment as a function of interface velocity. We deposited fluorescent, negatively charged, carboxylate-modified polystyrene colloids (diameter of 1 μm) into a cylindrical glass channel. The colloids were hydrophilic with an advancing air-water contact angle of 60° and a receding contact angle of 40°. After colloid deposition, two air bubbles were sequentially introduced into the glass channel and passed through the channel at different velocities (0.5, 7.7, 72, 982, and 10,800 cm/h). The passage of the bubbles represented a sequence of receding and advancing air-water interfaces. Colloids remaining in the glass channel after each interface passage were visualized with confocal microscopy and quantified by image analysis. The advancing air-water interface was significantly more effective in detaching colloids from the glass surface than the receding interface. Most of the colloids were detached during the first passage of the advancing air-water interface, while the subsequent interface passages did not remove significant amounts of colloids. Forces acting on the colloids calculated from theory corroborate our experimental results, and confirm that the detachment forces (surface tension forces) during the advancing air-water interface movement were stronger than during the receding movement. Theory indicates that, for hydrophilic colloids, the advancing interface movement generally exerts a stronger detachment force than the receding, except when the hysteresis of the colloid-air-water contact angle is small and that of the channel-air-water contact angle is large.

  13. Dipole Moment of a Charged Particle Trapped at the Air-Water Interface.

    Science.gov (United States)

    Bossa, Guilherme Volpe; Bohinc, Klemen; Brown, Matthew A; May, Sylvio

    2016-07-07

    The interaction between two charged particles (such as nanoparticles or colloids) trapped at the air-water interface becomes dipolar at large separations. The corresponding dipole moment can be modeled by considering a single point charge located exactly at the interface, but this model fails to correctly predict the dipole moment's dependence on the salt concentration in the aqueous medium. We extend the single point charge model to two point charges that are separated by a fixed distance and are located at the air-water interface, with one charge being immersed in air and the other in the solvent. The two point charges represent the surface charges at the air-exposed and water-exposed regions of an interface-trapped particle. The two point charges also account for the spatial extension of the particle. On the basis of the Debye-Hückel model, we derive mathematical expressions for the interaction between two pairs of charges and discuss the salt concentration dependence of the dipolar moment at large separations. Our results reveal a residual dipole moment in the limit of large salt content that originates from the charge attached to the air-exposed region of the particle. We discuss nonlinear screening effects and compare the predicted dipolar moments with recent experimental results.

  14. Monolayers at air-water interfaces: from origins-of-life to nanotechnology.

    Science.gov (United States)

    Ariga, Katsuhiko; Hill, Jonathan P

    2011-08-01

    The air-water interface presents several interesting features, namely a) a molecularly flat environment, b) a boundary region between two phases with different dielectric constants, c) permits or promotes dynamic interactions within the interface region, and d) a point of interaction between hydrophobic compounds and aqueous molecules. Accordingly, Langmuir monolayers at the air-water interface have several unique characteristics and properties, which require investigation. In this review-type personal account, typical examples of molecular recognition and molecular patterning at air-water interfaces are first introduced, followed by descriptions of specific and unusual properties of monolayers on water. In addition, two examples of our own results concerning Langmuir monolayers are explained. We have selected examples from two apparently unrelated research areas, these being the origin of life and future nanotechnology, in order to emphasize the diverse scientific contribution of research on monolayers at the air-water interface. Copyright © 2011 The Japan Chemical Journal Forum and Wiley Periodicals, Inc.

  15. The excess proton at the air-water interface: The role of instantaneous liquid interfaces

    Science.gov (United States)

    Giberti, Federico; Hassanali, Ali A.

    2017-06-01

    The magnitude of the pH of the surface of water continues to be a contentious topic in the physical chemistry of aqueous interfaces. Recent theoretical studies have shown little or no preference for the proton to be at the surface compared to the bulk. Using ab initio molecular dynamics simulations, we revisit the propensity of the excess proton for the air-water interface with a particular focus on the role of instantaneous liquid interfaces. We find a more pronounced presence for the proton to be at the air-water interface. The enhanced water structuring around the proton results in the presence of proton wires that run parallel to the surface as well as a hydrophobic environment made up of under-coordinated topological defect water molecules, both of which create favorable conditions for proton confinement at the surface. The Grotthuss mechanism within the structured water layer involves a mixture of both concerted and closely spaced stepwise proton hops. The proton makes excursions within the first solvation layer either in proximity to or along the instantaneous interface.

  16. Measurements of monolayer hydrodynamics at an air/water interface

    Science.gov (United States)

    Vogel, Michael James

    2002-09-01

    Growing interest in monomolecular films is driven in part by their numerous applications, which include coating technologies, chemical and bio-sensors, and optoelectronic devices. In the present research, a study involving several different experiments has focused on an improved understanding and quantification of the physics of monolayer-influenced flows. Measurements were made with laser-based nonintrusive techniques, including boundary-fitted digital particle image velocimetry (BFDPIV) to obtain interfacial velocity and shear data, and reflected second-harmonic generation (SHG) to directly measure surfactant concentration at the interface. A simple geometry consisting of uniform bulk flow and a planar surface-piercing barrier which resulted in the phenomenon commonly referred to as a Reynolds ridge was used to study the elasticity of a monolayer. A novel technique was developed in which velocity and surfactant concentration measurements are made simultaneously with a single laser beam which is scanned along the interface. Additionally, a theoretical model balancing surface elasticity and bulk shear at the interface was developed to predict the concentration profile for any insoluble monolayer. The predicted concentration profiles were found to be in agreement with experimental results. Additionally, global predictions from the model for four different insoluble surfactant systems also showed agreement with experimental measurements. In order to study the interfacial dilatational viscosity (kappa s) of a monolayer, for which there are no consistently measured values in the literature, a cavity flow was utilized in which the floor oscillates in the direction parallel to itself. Initially, a baseline study was performed to establish the range of parameters for which the flow is essentially two-dimensional (2D). Three flow regimes were found in the parameter space considered: an essentially 2D time-periodic flow, a time-periodic three-dimensional (3D) flow with a

  17. Estimating pH at the Air/Water Interface with a Confocal Fluorescence Microscope.

    Science.gov (United States)

    Yang, Haiya; Imanishi, Yasushi; Harata, Akira

    2015-01-01

    One way to determine the pH at the air/water interface with a confocal fluorescence microscope has been proposed. The relation between the pH at the air/water interface and that in a bulk solution has been formulated in connection with the adsorption equilibrium and the dissociation equilibrium of the dye adsorbed. Rhodamine B (RhB) is used as a surface-active fluorescent pH probe. The corrected fluorescence spectrum of RhB molecules at the air/water interface with the surface density of 1.0 nmol m(-2) level shows pH-dependent shifts representing an acid-base equilibrium. Two ways to determine the unknown acid-base equilibrium constant of RhB molecules at the air/water interface have been discussed. With surface-tension measurements, the adsorption properties, maximum surface density, and adsorption equilibrium constants were estimated for both cationic and zwitterionic forms of RhB molecules at the air/water interface.

  18. Polystyrene-Polylactide Bottlebrush Block Copolymer at the Air/Water Interface

    Science.gov (United States)

    Zhao, Lei; Byun, Myunghwan; Rzayev, Javid; Lin, Zhiqun

    2010-03-01

    Hydrophobic ultrahigh molecular weight bottlebrush block copolymer and linear block copolymer of polystyrene-polylactide (PS-PLA) were shown to be capable of forming Langmuir monolayers and exhibiting unique assembly behaviors at the air/water interface, which cannot be addressed by the classic theory of Langmuir monolayer of amphiphilic copolymers. New models were proposed to illustrate these intriguing surface behaviors. The self-assembled structure of Langmuir monolayer of bottlebrush block copolymer was determined by a combination of AFM measurement, thermal annealing, and enzymatic degradation experiment. To the best of our knowledge, this is among few studies on hydrophobic block copolymers at the air/water interface. As such, it not only complements the well-known models of self-assembly of amphiphilic block copolymers at the air/water interface but also expands the use of Langmuir-Blodgett (LB) technique to hydrophobic block copolymers.

  19. Spreading of partially crystallized oil droplets on an air/water interface

    NARCIS (Netherlands)

    Hotrum, N.E.; Cohen Stuart, M.A.; Vliet, van T.; Aken, van G.A.

    2004-01-01

    The influence of crystalline fat on the amount and rate of oil spreading out of emulsion droplets onto either a clean or a protein-covered air/water interface was measured for ß-lactoglobulin stabilized emulsions prepared with either anhydrous milk fat or a blend of hydrogenated palm fat and

  20. Emulsion droplet spreading at air/water interfaces: mechanisms and relevance to the whipping of cream

    NARCIS (Netherlands)

    Hotrum, N.E.

    2004-01-01

    Keywords:emulsion, spreading coefficient, surface tension, emulsifier, whipped cream, dairy foam, partial coalescence In this thesis, the interaction between emulsion droplets and expanding air/water interfaces was investigated. The

  1. Molecular details of ovalbumin-pectin complexes at the air/water interface: A spectroscopic study

    NARCIS (Netherlands)

    Kudryashova, E.V.; Visser, A.J.W.G.; Hoek, A. van; Jongh, H.H.J. de

    2007-01-01

    To stabilize air-water interfaces, as in foams, the adsorption of surface-active components is a prerequisite. An approach to controlling the surface activity of proteins is noncovalent complex formation with a polyelectrolyte in the bulk phase. The molecular properties of egg white ovalbumin in a

  2. Molecular details of ovalbumin-pectin complexes at the air/water interface: a spectroscopic study.

    NARCIS (Netherlands)

    Kudryashova, E.V.; Visser, A.J.W.G.; Hoek, van A.; Jongh, de H.H.J.

    2007-01-01

    To stabilize air-water interfaces, as in foams, the adsorption of surface-active components is a prerequisite. An approach to controlling the surface activity of proteins is noncovalent complex formation with a polyelectrolyte in the bulk phase. The molecular properties of egg white ovalbumin in a

  3. Understanding the structure of hydrophobic surfactants at the air/water interface from molecular level.

    Science.gov (United States)

    Zhang, Li; Liu, Zhipei; Ren, Tao; Wu, Pan; Shen, Jia-Wei; Zhang, Wei; Wang, Xinping

    2014-11-25

    Understanding the behavior of fluorocarbon surfactants at the air/water interface is crucial for many applications, such as lubricants, paints, cosmetics, and fire-fighting foams. In this study, molecular dynamics (MD) simulations were employed to investigate the microscopic properties of non-ionic fluorocarbon surfactants at the air/water interface. Several properties, including the distribution of head groups, the distribution probability of the tilt angle between hydrophobic tails with respect to the xy plane, and the order parameter of surfactants, were computed to probe the structure of hydrophobic surfactants at the air/water interface. The effects of the monomer structure on interfacial phenomena of non-ionic surfactants were investigated as well. It is observed that the structure of fluorocarbon surfactants at the air/water interface is more ordered than that of hydrocarbons, which is dominated by the van der Waals interaction between surfactants and water molecules. However, replacing one or two CF2 with one or two CH2 group does not significantly influence the interfacial structure, suggesting that hydrocarbons may be promising alternatives to perfluorinated surfactants.

  4. Use of polysaccharides to control protein adsorption to the air-water interface

    NARCIS (Netherlands)

    Ganzevles, R.A.; Cohen Stuart, M.A.; Vliet, T.v.; Jongh, H.H.J.de

    2006-01-01

    In order to understand foaming behaviour of mixed protein/anionic polysaccharide solutions, we investigated the effect of β-lactoglobulin/pectin interaction in the bulk on β-lactoglobulin adsorption to the air-water interface. Adsorption kinetics were evaluated by following surface pressure

  5. Nanowire and Mesh Conformations of Diblock Copolymer Blends at the Air/Water Interface

    NARCIS (Netherlands)

    Seo, Young-Soo; Kim, K.S.; Galambos, Arielle; Lammertink, R.G.H.; Vancso, G.J.; Sokolov, J.; Rafailovich, M.

    2004-01-01

    We investigated the structures formed when blends of poly(styrene-b-ferrocenyl silane) (PS-b-FS) and poly(styrene-b-2-vinyl pyridine) (PS-b-P2VP) were spread at the air/water interface. The results demonstrated that new structures were formed which were distinct from those formed when either of the

  6. Hydrodynamics of a self-propelled camphor boat at the air-water interface

    Science.gov (United States)

    Akella, Sathish; Singh, Dhiraj; Singh, Ravi; Bandi, Mahesh

    2015-11-01

    A camphor tablet, when placed at the air-water interface undergoes sublimation and camphor vapour spreads radially outwards across the surface due to Marangoni forces. This steady camphor influx from tablet onto the air-water interface is balanced by the camphor outflux due to evaporation. When spontaneous fluctuations in evaporation break the axial symmetry of Marangoni force acting radially outwards, the camphor tablet is propelled like a boat along the water surface. We report experiments on the hydrodynamics of a self-propelled camphor boat at air-water interfaces. We observe three different modes of motion, namely continuous, harmonic and periodic, due to the volatile nature of camphor. We explain these modes in terms of ratio of two time-scales: the time-scale over which viscous forces are dominant over the Marangoni forces (τη) and the time-scale over which Marangoni forces are dominant over the viscous forces (τσ). The continuous, harmonic and periodic motions are observed when τη /τσ ~ 1 , τη /τσ >= 1 and τη /τσ >> 1 respectively. Experimentally, the ratio of the time scales is varied by changing the interfacial tension of the air-water interface using Sodium Dodecyl Sulfate. This work was supported by the Collective Interactions Unit, OIST Graduate University.

  7. Spreading of partially crystallized oil droplets on an air/water interface

    NARCIS (Netherlands)

    Hotrum, N.E.; Cohen Stuart, M.A.; Vliet, van T.; Aken, van G.A.

    2004-01-01

    The influence of crystalline fat on the amount and rate of oil spreading out of emulsion droplets onto either a clean or a protein-covered air/water interface was measured for ß-lactoglobulin stabilized emulsions prepared with either anhydrous milk fat or a blend of hydrogenated palm fat and sunflow

  8. Molecular details of ovalbumin-pectin complexes at the air/water interface: A spectroscopic study

    NARCIS (Netherlands)

    Kudryashova, E.V.; Visser, A.J.W.G.; Hoek, A. van; Jongh, H.H.J. de

    2007-01-01

    To stabilize air-water interfaces, as in foams, the adsorption of surface-active components is a prerequisite. An approach to controlling the surface activity of proteins is noncovalent complex formation with a polyelectrolyte in the bulk phase. The molecular properties of egg white ovalbumin in a c

  9. Nanowire and Mesh Conformations of Diblock Copolymer Blends at the Air/Water Interface

    NARCIS (Netherlands)

    Seo, Young-Soo; Kim, K.S.; Galambos, Arielle; Lammertink, Rob G.H.; Vancso, Gyula J.; Sokolov, J.; Rafailovich, M.

    2004-01-01

    We investigated the structures formed when blends of poly(styrene-b-ferrocenyl silane) (PS-b-FS) and poly(styrene-b-2-vinyl pyridine) (PS-b-P2VP) were spread at the air/water interface. The results demonstrated that new structures were formed which were distinct from those formed when either of the

  10. Field observations of turbulent dissipation rate profiles immediately below the air-water interface

    Science.gov (United States)

    Wang, Binbin; Liao, Qian

    2016-06-01

    Near surface profiles of turbulence immediately below the air-water interface were measured with a free-floating Particle Image Velocimetry (PIV) system on Lake Michigan. The surface-following configuration allowed the system to measure the statistics of the aqueous-side turbulence in the topmost layer immediately below the water surface (z≈0˜15 cm, z points downward with 0 at the interface). Profiles of turbulent dissipation rate (ɛ) were investigated under a variety of wind and wave conditions. Various methods were applied to estimate the dissipation rate. Results suggest that these methods yield consistent dissipation rate profiles with reasonable scattering. In general, the dissipation rate decreases from the water surface following a power law relation in the top layer, ɛ˜z-0.7, i.e., the slope of the decrease was lower than that predicted by the wall turbulence theory, and the dissipation was considerably higher in the top layer for cases with higher wave ages. The measured dissipation rate profiles collapse when they were normalized with the wave speed, wave height, water-side friction velocity, and the wave age. This scaling suggests that the enhanced turbulence may be attributed to the additional source of turbulent kinetic energy (TKE) at the "skin layer" (likely due to micro-breaking), and its downward transport in the water column.

  11. Aggregation of Heteropolyanions Implicates the Presence of Zunel Ions Near Air-Water Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bera, Mrinal K.; Antonio, Mark R.

    2016-07-01

    Protons play crucial roles in the interactions between hetero-polyanions (HPAs) in aqueous solutions and solid acid salts. We report the aggregation behaviours of Keggin HPAs near the surfaces of heteropolyacid solutions. The structure of the aggregated HPA layer near the solution-vapour phase boundary closely resembles the solid-state crystal structure of the hetero-polyacids in which the HPAs are connected by Zundel ions. The resemblance not only implicates the presence of protons in the form of planar Zundel ions near the air-water interface but, also, suggests that these align parallel to the interface. This study demonstrates an indirect means of assessing the impact of protons on HPA interactions near air-water interfaces and, in general, provides new insights about interfacial proton chemistry of heteropolyacids.

  12. Slow dynamics of phospholipid monolayers at the air/water interface

    CERN Document Server

    Choi, Siyoung Q

    2009-01-01

    Phospholipid monolayers at the air-water interface serve as model systems for various biological interfaces, e.g. lung surfactant layers and outer leaflets of cell membranes. Although the dynamical (viscoelastic) properties of these interfaces may play a key role in stability, dynamics and function, the relatively weak rheological properties of most such monolayers have rendered their study difficult or impossible. A novel technique to measure the dynamical properties of fluid-fluid interfaces have developed accordingly. We microfabricate micron-scale ferromagnetic disks, place them on fluid-fluid interfaces, and use external electromagnets to exert torques upon them. By measuring the rotation that results from a known external torque, we compute the rotational drag, from which we deduce the rheological properties of the interface. Notably, our apparatus enable direct interfacial visualization while the probes are torqued. In this fluid dynamics video, we directly visualize dipalmitoylphosphatidylcholine(DPPC...

  13. Drag reductions and the air-water interface stability of superhydrophobic surfaces in rectangular channel flow

    Science.gov (United States)

    Zhang, Jingxian; Yao, Zhaohui; Hao, Pengfei

    2016-11-01

    Flow in a rectangular channel with superhydrophobic (SH) top and bottom walls was investigated experimentally. Different SH surfaces, including hierarchical structured surfaces and surfaces with different micropost sizes (width and spacing) but the same solid fraction, were fabricated and measured. Pressure loss and flow rate in the channel with SH top and bottom walls were measured, with Reynolds number changing from 700 to 4700, and the corresponding friction factor for the SH surface was calculated. The statuses of the air plastron on different SH surfaces were observed during the experiment. In our experiment, compared with the experiment for the smooth surface, drag reductions were observed for all SH surfaces, with the largest drag reduction of 42.2%. It was found that the hierarchy of the microstructure can increase the drag reduction by decreasing the solid fraction and enhancing the stability of the air-water interface. With a fixed solid fraction, the drag reduction decreases as the post size (width and spacing) increases, due to the increasing curvature and instability effects of the air-water interface. A correlation parameter between the contact angle hysteresis, the air-water interface stability, and the drag reduction of the SH surfaces was found.

  14. Hydrodynamics of a fixed camphor boat at the air-water interface

    Science.gov (United States)

    Singh, Dhiraj; Akella, Sathish; Singh, Ravi; Mandre, Shreyas; Bandi, Mahesh

    2015-11-01

    A camphor tablet, when introduced at the air-water interface undergoes sublimation and the camphor vapour spreads radially outwards across the surface. This radial spreading of camphor is due to Marangoni forces setup by the camphor concentration gradient. We report experiments on the hydrodynamics of this process for a camphor tablet held fixed at the air-water interface. During the initial transient, the time-dependent spread radius R (t) of camphor scales algebraically with time t (R (t) ~t 1 / 2) in agreement with empirical scalings reported for spreading of volatile oils on water surface. But unlike surfactants, the camphor stops spreading when the influx of camphor from the tablet onto the air-water interface is balanced by the outflux of camphor due to evaporation, and a steady-state condition is reached. The spreading camphor however, shears the underlying fluid and sets up bulk convective flow. We explain the coupled steady-state dynamics between the interfacial camphor spreading and bulk convective flow with a boundary layer approximation, supported by experimental evidence. This work was supported by the Collective Interactions Unit, OIST Graduate University.

  15. Langmuir and Gibbs magnetite NP layers at the air/water interface.

    Science.gov (United States)

    Stefaniu, Cristina; Chanana, Munish; Wang, Dayang; Novikov, Dmitri V; Brezesinski, Gerald; Möhwald, Helmuth

    2011-02-01

    The interfacial properties of Fe(3)O(4)@MEO(2)MA(90)-co-OEGMA(10) NPs, recently developed and described as promising nanotools for biomedical applications, have been investigated at the air/water interface. These Fe(3)O(4) NPs, capped with catechol-terminated random copolymer brushes of 2-(2-methoxyethoxy) ethyl methacrylate (MEO(2)MA) and oligo(ethylene glycol) methacrylate (OEGMA), with molar fractions of 90% and 10%, respectively, proved to be surface active. Surface tension measurements of aqueous dispersions of the NPs showed that the adsorption of the NPs at the air/water interface is time- and concentration-dependent. These NPs do not behave as classical amphiphiles. Once adsorbed at the air/water interface, they do not exchange with NPs in bulk, but they are trapped at the interface. This means that all NPs from the bulk adsorb to the interface until reaching maximum coverage of the interface, which corresponds to values between 6 × 10(-4) and 8 × 10(-4) mg/cm(2) and a critical equilibrium surface tension of ∼47 mN/m. Moreover, Langmuir layers of Fe(3)O(4)@MEO(2)MA(90)-co-OEGMA(10) NPs have been investigated by measuring surface pressure-area compression-expansion isotherms and in situ X-ray fluorescence spectra. The compression-expansion isotherms showed a plateau region above a critical surface pressure of ∼25 mN/m and a pronounced hysteresis. By using a special one-barrier Langmuir trough equipped with two surface pressure microbalances, we have shown that the NPs are squeezed out from the interface into the aqueous subphase, and they readsorb on the other side of the barrier. The results have been supported by TEM as well as AFM experiments of transferred Langmuir-Schaefer films on solid supports. This study shows the ability of Fe(3)O(4)@MEO(2)MA(90)-co-OEGMA(10) NPs to transfer from hydrophilic media (an aqueous solution) to the hydrophobic/hydrophilic interface (air/water interface) and back to the hydrophilic media. This behavior is very

  16. Shear turbulence, Langmuir circulation and scalar transfer at an air-water interface

    Science.gov (United States)

    Hafsi, Amine; Tejada-Martinez, Andres; Veron, Fabrice

    2016-11-01

    DNS of an initially quiescent coupled air-water interface driven by an air-flow with free stream speed of 5 m/s generates gravity-capillary waves and small-scale (centimeter-scale) Langmuir circulation (LC) beneath the interface. In addition to LC, the waterside turbulence is characterized by shear turbulence with structures similar to classical "wall streaks" in wall-bounded flow. These streaks, denoted here as "shear streaks", consist of downwind-elongated vortices alternating in sign in the crosswind direction. The presence of interfacial waves causes interaction between these vortices giving rise to bigger vortices, namely LC. LES with momentum equation augmented with the Craik-Leibovich (C-L) vortex force is used to understand the roles of the shear streaks (i.e. the shear turbulence) and the LC in determining scalar flux from the airside to the waterside and vertical scalar transport beneath. The C-L force consists of the cross product between the Stokes drift velocity (induced by the interface waves) and the flow vorticity. It is observed that Stokes drift shear intensifies the shear streaks (with respect to flow without wave effects) leading to enhanced scalar flux at the air-water interface. LC leads to increased vertical scalar transport at depths below the interface.

  17. Phase separated anionic domains in ternary mixed lipid monolayers at the air-water interface.

    Science.gov (United States)

    Maloney, K M; Grainger, D W

    1993-04-01

    A series of ternary mixed monolayers containing varying amounts of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and equimolar additions of 1-palmitoyl-2-hydroxy-sn-glycero-3-phosphocholine (LYSO-PC) and palmitic acid (PA) were studied at the air-water interface. These mixed monolayers were used to model phospholipid biomembrane interfaces resulting from phospholipase A2 (PLA2) hydrolysis. Recent work [D.W. Grainger A. Reichert, H. Ringsdorf and C. Salesse (1989) Biochim. Biophys. Acta. 1023, 365-379] has shown that PLA2 hydrolysis of pure phospholipid monolayers results in formation of large PLA2 domains at the air-water interface. These domains are proposed to result from PLA2 adsorption to phase separated regions in the hydrolyzed monolayer. To elucidate the phase behaviour in these monolayer systems, surface pressure-area isotherms were measured for the ternary mixtures on pure water and buffered subphases. Fluorescence microscopy at the air-water interface was used to image fluorescent probe-doped monolayer mixtures during isothermal compressions. A water-soluble cationic carbocyanine dye was used to probe the interfacial properties of the mixed monolayers. Isotherm data do not provide unambiguous evidence for either phase separation or ideal mixing of monolayer components. Fluorescence microscopy is more revealing, showing that lateral phase separation of microstructures containing palmitic acid occurred only when monolayer subphases contained Ca2+ ions at alkaline pH. At either low pH or on Ca(2+)-free subphases, phase separation was not observed.

  18. Bovine insulin-phosphatidylcholine mixed Langmuir monolayers: behavior at the air-water interface.

    Science.gov (United States)

    Pérez-López, S; Blanco-Vila, N M; Vila-Romeu, N

    2011-08-04

    The behavior of the binary mixed Langmuir monolayers of bovine insulin (INS) and phosphatidylcholine (PC) spread at the air-water interface was investigated under various subphase conditions. Pure and mixed monolayers were spread on water, on NaOH and phosphate-buffered solutions of pH 7.4, and on Zn(2+)-containing solutions. Miscibility and interactions between the components were studied on the basis of the analysis of the surface pressure (π)-mean molecular area (A) isotherms, surface compression modulus (C(s)(-1))-π curves, and plots of A versus mole fraction of INS (X(INS)). Our results indicate that intermolecular interactions between INS and PC depend on both the monolayer state and the structural characteristics of INS at the interface, which are strongly influenced by the subphase pH and salt content. Brewster angle microscopy (BAM) was applied to investigate the peptide aggregation pattern at the air-water interface in the presence of the studied lipid under any experimental condition investigated. The influence of the lipid on the INS behavior at the interface strongly depends on the subphase conditions.

  19. Monolayer film behavior of lipopolysaccharide from Pseudomonas aeruginosa at the air-water interface.

    Science.gov (United States)

    Abraham, Thomas; Schooling, Sarah R; Beveridge, Terry J; Katsaras, John

    2008-10-01

    Lipopolysaccharide (LPS) is an essential biomacromolecule making up approximately 50% of the outer membrane of gram-negative bacteria. LPS chemistry facilitates cellular barrier and permeability functions and mediates interactions between the cell and its environment. To better understand the local interactions within LPS membranes, the monolayer film behavior of LPS extracted from Pseudomonas aeruginosa, an opportunistic pathogen of medical importance, was investigated by Langmuir film balance. LPS formed stable monolayers at the air-water interface and the measured lateral stresses and modulus (rigidity) of the LPS film in the compressed monolayer region were found to be appreciable. Scaling theories for two-dimensional (2D) polymer chain conformations were used to describe the pi-A profile, in particular, the high lateral stress region suggested that the polysaccharide segments reside at the 2D air-water interface. Although the addition of monovalent and divalent salts caused LPS molecules to adopt a compact conformation at the air-water interface, they did not appear to have any influence on the modulus (rigidity) of the LPS monolayer film under biologically relevant stressed conditions. With increasing divalent salt (CaCl2) content in the subphase, however, there is a progressive reduction of the LPS monolayer's collapse pressure, signifying that, at high concentrations, divalent salts weaken the ability of the membrane to withstand elevated stress. Finally, based on the measured viscoelastic response of the LPS films, we hypothesize that this property of LPS-rich outer membranes of bacteria permits the deformation of the membrane and may consequently protect bacteria from catastrophic structural failure when under mechanical-stress.

  20. Two-dimensional Insect Flight on an Air-Water Interface is a Chaotic Oscillator

    CERN Document Server

    Mukundarajan, Haripriya; Prakash, Manu

    2014-01-01

    Two-dimensional flapping wing insect flight on an air-water interface provides a successful foraging strategy to explore an ecological niche on the surface of a pond. However, the complex interplay of surface tension, aerodynamic forces, biomechanics and neural control that enables two-dimensional flight is unknown. Here we report the discovery of two-dimensional flight in the waterlily beetle Galerucella nymphaeae, which is the fastest reported propulsion mode for an insect on a fluid interface. Using kinematics derived from high-speed videography coupled with analytical models, we demonstrate that two-dimensional flight is a chaotic interfacial oscillator, thus significantly constraining the possible range of flight parameters. Discovery of this complex dynamics in two-dimensional flight on time scales similar to neural responses indicates the challenge of evolving active flight control on a fluid interface.

  1. An investigation of channel flow with a smooth air-water interface

    Science.gov (United States)

    Madad, Reza; Elsnab, John; Chin, Cheng; Klewicki, Joseph; Marusic, Ivan

    2015-06-01

    Experiments and numerical simulation are used to investigate fully developed laminar and turbulent channel flow with an air-water interface as the lower boundary condition. Laser Doppler velocimetry measurements of streamwise and wall-normal velocity components are made over a range of Reynolds number based upon channel height and bulk velocity from 1100 to 4300, which encompasses the laminar, transitional and low Reynolds numbers turbulent regimes. The results show that the airflow statistics near the stationary wall are not significantly altered by the air-water moving interface and reflect those found in channel flows. The mean statistics on the water interface side largely exhibit results similar to simulated Poiseuille-Couette flow (PCF) with a solid moving wall. For second-order statistics, however, the simulation and experimental results show some discrepancies near the moving water surface, suggesting that a full two-phase simulation is required. A momentum and energy transport tubes analysis is investigated for laminar and turbulent PCFs. This analysis builds upon the classical notion of a streamtube and indicates that part of the energy from the pressure gradient is transported towards the stationary wall and is dissipated as heat inside the energy tubes, while the remainder is transmitted to the moving wall. For the experiments, the airflow energy is transmitted towards the water to overcome the drag force and drive the water forward; therefore, the amount of energy transferred to the water is higher than the energy transferred to a solid moving wall.

  2. Dynamic Study of Gemini Surfactant and Single-chain Surfactant at Air/Water Interface

    Institute of Scientific and Technical Information of China (English)

    Yi Jian CHEN; Gui Ying XU; Shi Ling YUAN; Hai Ying SUN

    2005-01-01

    Molecular dynamics (MD) simulation are used to study the properties of gemini surfactant of ethyl-α,ω-bis(dodecyldimethylammonium bromide) (C12C2C12) and dodecyltrimethylammonium bromide (DTAB) at the air/water interface, respectively. In the two systems,the surfactant concentrations are both 28 wt. %, and other conditions are also the same. After reaching the thermodynamic equilibrium, the concentration profiles, the radial distributions functions (RDF) and the mean squared displacement (MSD) are investigated. Theresults reveal that the surface activity of C12C2C12 suffactant is higher than DTAB surfactant.

  3. Ligand interaction with the purified serotonin transporter in solution and at the air/water interface

    Energy Technology Data Exchange (ETDEWEB)

    Faivre, V.; Manivet, P.; Callaway, J.C.; Morimoto, H.; Airaksinen, M.M.; Baszkin, A.; Launay, J.M.; Rosilio, V.

    2000-06-01

    The purified serotonin transporter (SERT) was spread at the air/water interface and the effects both of its surface density and of the temperature on its interfacial behavior were studied. The recorded isotherms evidenced the existence of a stable monolayer undergoing a lengthy rearrangement. SERT/ligand interactions appeared to be dependent on the nature of the studied molecules. Whereas an unrelated drug (chlorcyclizine) did not bind to the spread SERT, it interacted with its specific ligands. Compared to heterocyclic drugs, for which binding appeared to be concentration-dependent, a 'two-site' mechanism was evidenced for pinoline and imipramine.

  4. Time resolved study of hydroxyl radical oxidation of oleic acid at the air-water interface

    Science.gov (United States)

    Zhang, Xinxing; Barraza, Kevin M.; Upton, Kathleen T.; Beauchamp, J. L.

    2017-09-01

    The ubiquity of oleic acid (OA) renders it a poster child for laboratory investigations of environmental oxidation chemistry. In the current study, mechanistic details of the oxidation of OA by hydroxyl radicals at the air-water interface are investigated using field-induced droplet ionization mass spectrometry (FIDI-MS). Products from OH oxidation of both unsaturated and saturated carbon atoms are identified, and mechanisms for both types of oxidation processes are proposed. Uptake of oxygen in the interfacial layer increases linearly with time, consistent with Langmuir-Hinshelwood reaction kinetics. These results provide fundamental knowledge relating to OH initiated degradation of fatty acids in atmospheric aerosols.

  5. Formation of H-type liquid crystal dimer at air-water interface

    Energy Technology Data Exchange (ETDEWEB)

    Karthik, C., E-mail: karthik.c@pilani.bits-pilani.ac.in; Gupta, Adbhut, E-mail: karthik.c@pilani.bits-pilani.ac.in; Joshi, Aditya, E-mail: karthik.c@pilani.bits-pilani.ac.in; Manjuladevi, V., E-mail: karthik.c@pilani.bits-pilani.ac.in; Gupta, Raj Kumar, E-mail: karthik.c@pilani.bits-pilani.ac.in [Department of Physics, Birla Institute of Technology and Science, Pilani, Rajasthan -333031 (India); Varia, Mahesh C.; Kumar, Sandeep [Raman Research Institute, Sadashivanagar, Bangalore - 560080 (India)

    2014-04-24

    We have formed the Langmuir monolayer of H-shaped Azo linked liquid crystal dimer molecule at the air-water interface. Isocycles of the molecule showed hysteresis suggesting the ir-reversible nature of the monolayer formed. The thin film deposited on the silicon wafer was characterized using Atomic Force Microscopy (AFM) and Field Emission Scanning Electron Microscopy (FESEM). The images showed uniform domains of the dimer molecule. We propose that these molecules tend to take book shelf configuration in the liquid phase.

  6. Evaporative assembly of MEH-PPV rings using mixed solvents at the air/water interface.

    Science.gov (United States)

    Chao, Kung-Po; Biswal, Sibani L

    2014-04-22

    Controlling the morphology of conjugated polymers has recently attracted considerable attention because of their applications in photovoltaic (PV) devices and organic light-emitting diodes (OLEDs). Here, we describe the self-assembly of a common conjugated polymer, poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV), into ringlike structures via solvent evaporation on an air/water interface. The films are monitored using Brewster angle microscopy (BAM) and transferred onto a solid substrate by either the Langmuir-Blodgett (LB) or the Langmuir-Schaefer (LS) method and further characterized by atomic force microscopy (AFM). The morphology of the MEH-PPV thin film at the air/water interface can be controlled by the spreading solvent. By mixing solvents of varying spreading coefficients and evaporation rates, such as chloroform and chlorobenzene, MEH-PPV can be assembled into micrometer-sized ring structures. The optical properties of these MEH-PPV ring structures are also characterized. Lastly, MEH-PPV can be used as a soft template to organize microscale structures of nanoparticles.

  7. Biogenic amine – surfactant interactions at the air-water interface.

    Science.gov (United States)

    Penfold, J; Thomas, R K; Li, P X

    2015-07-01

    The strong interaction between polyamines and anionic surfactants results in pronounced adsorption at the air-water interface and can lead to the formation of layered surface structures. The transition from monolayer adsorption to more complex surface structures depends upon solution pH, and the structure and molecular weight of the polyamine. The effects of manipulating the polyamine molecular weight and structure on the adsorption of the anionic surfactant sodium dodecyl sulphate at the air-water interface are investigated using neutron reflectivity and surface tension, for the biogenic amines putrescine, spermidine and spermine. The results show how changing the number of amine groups and the spacing between the amine groups impacts upon the surface adsorption. At lower pH, 3-7, and for the higher molecular weight polyamines, spermidine and spermine, ordered multilayer structures are observed. For putrescine at all pH and for spermidine and spermine at high pH, monolayer adsorption with enhanced surfactant adsorption compared to the pure surfactant is observed. The data for the biogenic amines, when compared with similar data for the polyamines ethylenediamine, diethylenetriamine and triethylenetetramine, indicate that the spacing between amines groups is more optimal for the formation of ordered surface multilayer structures.

  8. Dynamics of surfactant sorption at the air/water interface: continuous-flow tensiometry.

    Science.gov (United States)

    Svitova, T F; Wetherbee, M J; Radke, C J

    2003-05-01

    Dynamic interfacial tensiometry, gauged by axisymmetric drop shape analysis of static drops or bubbles, provides useful information on surfactant adsorption kinetics. However, the traditional pendant-drop methodology is not readily amenable to the study of desorption kinetics. Thus, the question of sorption reversibility is difficult to assess by this technique. We extend classical pendant/sessile drop dynamic tensiometry by immersing a sessile bubble in a continuously mixed optical cell. Ideal-mixed conditions are established by stirring and by constant flow through the cell. Aqueous surface-active-agent solutions are either supplied to the cell (loading) or removed from the cell by flushing with water (washout), thereby allowing study of both adsorption and desorption kinetics. Well-mixed conditions and elimination of any mass transfer resistance permit direct identification of sorption kinetic barriers to and from the external aqueous phase with time constants longer than the optical-cell residence time. The monodisperse nonionic surfactant ethoxy dodecyl alcohol (C(12)E(5)), along with cationic cetyltrimethyl ammonium bromide (CTAB) in the presence of added salt, adsorbs and desorbs instantaneously at the air/water interface. In these cases, the experimentally observed dynamic-tension curves follow the local-equilibrium model precisely for both loading and washout. Accordingly, these surfactants below their critical micelle concentrations (CMC) exhibit no detectable sorption-activation barriers on time scales of order a min. However, the sorption dynamics of dilute CTAB in the absence of electrolyte is markedly different from that in the presence of KBr. Here CTAB desorption occurs at local equilibrium, but the adsorption rate is kinetically limited, most likely due to an electrostatic barrier arising as the charged surfactant accumulates at the interface. The commercial, polydisperse nonionic surfactant ethoxy nonylphenol (NP9) loads in good agreement with

  9. SOME CHARACTERISTICS OF LOW-SPEED STREAKS UNDER SHEARED AIR-WATER INTERFACES

    Institute of Scientific and Technical Information of China (English)

    王双峰; 贾复

    2001-01-01

    The characteristics of low-speed fluid streaks occurring under sheared air-water interfaces were examined by means of hydrogen bubble visualization tech nique. A critical shear condition under which the streaky structure first appears was determined to be uT ≈ 0.19 cm/s. The mean spanwise streak spacing increases with distance from the water surface owing to merging and bursting processes, and a lin ear relationship describing variation of non-dimensional spacing λ+- versus y+ was found essentially independent of shear stress on the interface. Values ofλ+, however,are remarkably smaller than their counterparts in the near-wall region of turbulent boundary layers. Though low-speed streaks occur randomly in time and space, the streak spacing exhibits a lognormal probability distribution behavior. A tentative explanation concerning the formation of streaky structure is suggested, and the fact that λ+ takes rather smaller values than that in wall turbulence is briefly discussed.

  10. Atmospheric photochemistry at a fatty acid-coated air-water interface

    Science.gov (United States)

    Rossignol, Stéphanie; Tinel, Liselotte; Bianco, Angelica; Passananti, Monica; Brigante, Marcello; Donaldson, D. James; George, Christian

    2016-08-01

    Although fatty acids are believed to be photochemically inert in the actinic region, complex volatile organic compounds are produced during illumination of an air-water interface coated solely with a monolayer of carboxylic acid. When aqueous solutions containing nonanoic acid (NA) at bulk concentrations that give rise to just over a monolayer of NA coverage are illuminated with actinic radiation, saturated and unsaturated aldehydes are seen in the gas phase, and more highly oxygenated products appear in the aqueous phase. This chemistry is probably initiated by triplet-state NA molecules excited by direct absorption of actinic light at the water surface. Because fatty acids-covered interfaces are ubiquitous in the environment, such photochemical processing will have a substantial impact on local ozone and particle formation.

  11. Mercury Exchange at the Air-Water-Soil Interface: An Overview of Methods

    Directory of Open Access Journals (Sweden)

    Fengman Fang

    2002-01-01

    Full Text Available An attempt is made to assess the present knowledge about the methods of determining mercury (Hg exchange at the air-water-soil interface during the past 20 years. Methods determining processes of wet and dry removal/deposition of atmospheric Hg to aquatic and terrestrial ecosystems, as well as methods determining Hg emission fluxes to the atmosphere from natural surfaces (soil and water are discussed. On the basis of the impressive advances that have been made in the areas relating to Hg exchange among air-soil-water interfaces, we analyzed existing problems and shortcomings in our current knowledge. In addition, some important fields worth further research are discussed and proposed.

  12. Crystalline self-assembly into monolayers of folded oligomers at the air-water interface

    DEFF Research Database (Denmark)

    Lederer, K.; Godt, A.; Howes, P.B.;

    2000-01-01

    of the folding unit almost perpendicular to the water surface, as determined by synchrotron grazing-incidence X-ray diffraction. Three distinct molecular shapes, of the types U, inverted U, and M, were obtained in the two-dimensional crystalline state, depending upon the number of spacer units, and the number......Insertion of the 115-bis(ethynylene)benzene unit as a rigid spacer into a linear alkyl chain, thus separating the two resulting stems by 9 Angstrom, induces chain folding at the air-water interface. These folded molecules self-assemble into crystalline monolayers at this interface, with the plane...... and position of the hydrophilic groups in the molecule. The molecules form ribbons with a higher crystal coherence in the direction of stacking between the molecular ribbons, and a lower coherence along the ribbon direction. A similar molecule, but with a spacer unit that imposes a 5 Angstrom separation...

  13. Conformational aspects of proteins at the air/water interface studied by infrared reflection-absorption spectroscopy

    NARCIS (Netherlands)

    Martin, A.H.; Meinders, M.B.J.; Bos, M.A.; Cohen Stuart, M.A.; Vliet, T. van

    2003-01-01

    From absorption spectra obtained with infrared reflection - absorption spectroscopy (IRRAS), it is possible to obtain information on conformational changes at a secondary folding level of proteins adsorbed at the air/water interface. In addition, information on protein concentration at the interface

  14. Gas exchange rates across the sediment-water and air-water interfaces in south San Francisco Bay

    Science.gov (United States)

    Hartman, Blayne; Hammond, Douglas E.

    1984-01-01

    Radon 222 concentrations in the water and sedimentary columns and radon exchange rates across the sediment-water and air-water interfaces have been measured in a section of south San Francisco Bay. Two independent methods have been used to determine sediment-water exchange rates, and the annual averages of these methods agree within the uncertainty of the determinations, about 20%. The annual average of benthic fluxes from shoal areas is nearly a factor of 2 greater than fluxes from the channel areas. Fluxes from the shoal and channel areas exceed those expected from simple molecular diffusion by factors of 4 and 2, respectively, apparently due to macrofaunal irrigation. Values of the gas transfer coefficient for radon exchange across the air-water interface were determined by constructing a radon mass balance for the water column and by direct measurement using floating chambers. The chamber method appears to yield results which are too high. Transfer coefficients computed using the mass balance method range from 0.4 m/day to 1.8 m/day, with a 6-year average of 1.0 m/day. Gas exchange is linearly dependent upon wind speed over a wind speed range of 3.2–6.4 m/s, but shows no dependence upon current velocity. Gas transfer coefficients predicted from an empirical relationship between gas exchange rates and wind speed observed in lakes and the oceans are within 30% of the coefficients determined from the radon mass balance and are considerably more accurate than coefficients predicted from theoretical gas exchange models.

  15. Anomalous spreading behaviour of polyethyleneglycoldistearate monolayers at air/water interface

    Indian Academy of Sciences (India)

    S John Collins; Aruna Dhathathreyan; T Ramasami

    2001-04-01

    Spreading behaviour of the dimeric surfactant polyethyleneglycoldistearate (PEGDS) monolayer at air/water interface has been studied using surface pressure-area ( -) isotherms as a function of temperature. The isotherms show a plateau suggesting a transition between a liquid expanded (LE) and a condensed state. The condensed state possibly arises due to nucleation and growth of multilayers from the monolayer. Isobaric measurements of both - and - at constant area show transitions at = 295 K. These plots suggest a melting followed by formation of condensed microcrystallites. Structure optimization carried out using various angles of orientation of the alkyl tails with respect to the backbone in PEGDS reveals tilt transitions of the tails in different states which can be related to the packing behaviour seen in the isotherms. Optical microscopy has been used to confirm the structures in these states.

  16. Partitioning of semi-volatile organic compounds to the air/water interface

    Science.gov (United States)

    Pankow, James F.

    Partition coefficients ( Kia, m 3m -2) for sorption of polycyclic aromatic hydrocarbons (PAHs) and n-alkanes at the air/water interface were estimated by extrapolating quartz/gas sorption data to relative humidity (RH) values of 100%. For each compound class, the log Kia values were found to be well correlated with log pLo where pLo (Torr) is the vapor pressure of the pure subcooled liquid. For the PAHs, correlation equation is log Kia = -1.20 log pLo - 5.82 ( R2 = 0.98). For the n-alkanes, the correlation equation is log Kia = -0.93 log pLo - 4.42 ( R2 = 0.95).

  17. Turbulent heat and mass transfers across a thermally stratified air-water interface

    Science.gov (United States)

    Papadimitrakis, Y. A.; Hsu, Y.-H. L.; Wu, J.

    1986-01-01

    Rates of heat and mass transfer across an air-water interface were measured in a wind-wave research facility, under various wind and thermal stability conditions (unless otherwise noted, mass refers to water vapor). Heat fluxes were obtained from both the eddy correlation and the profile method, under unstable, neutral, and stable conditions. Mass fluxes were obtained only under unstable stratification from the profile and global method. Under unstable conditions the turbulent Prandtl and Schmidt numbers remain fairly constant and equal to 0.74, whereas the rate of mass transfer varies linearly with bulk Richardson number. Under stable conditions the turbulent Prandtl number rises steadily to a value of 1.4 for a bulk Richardson number of about 0.016. Results of heat and mass transfer, expressed in the form of bulk aerodynamic coefficients with friction velocity as a parameter, are also compared with field data.

  18. Crystalline mono- and multilayer self-assemblies of oligothiophenes at the air-water interface

    DEFF Research Database (Denmark)

    Isz, S.; Weissbuch, I.; Kjær, K.;

    1997-01-01

    of aromatic nonamphiphilic molecules, self-aggregated at the air-water interface. As model systems we have examined the deposition of quaterthiophene (S-4), quinquethiophene (S-5). and sexithiophene (S-6) from chloroform solutions on the water surface. The structures of the films were determined by surface...... pressure-area isotherms, by scanning force microscopy (SFM) after transfer of the films onto atomically smooth mica, by cryo-transmission electron microscopy (Cryo-TEM) on vitreous ice, and by grazing incidence synchrotron X-ray diffraction (GID) directly on the water surface. S-4 forms two polymorphic...... surface. S-5 self-ageregates at the water surface to form mixtures of monolayers and bilayers of the beta polymorph; S-6 forms primarily crystalline monolayers of both alpha and beta forms. The crystalline assemblies preserve their integrity during transfer from the water surface onto solid supports...

  19. Mechanical tuning of molecular machines for nucleotide recognition at the air-water interface

    Directory of Open Access Journals (Sweden)

    Shinoda Satoshi

    2011-01-01

    Full Text Available Abstract Molecular machines embedded in a Langmuir monolayer at the air-water interface can be operated by application of lateral pressure. As part of the challenge associated with versatile sensing of biologically important substances, we here demonstrate discrimination of nucleotides by applying a cholesterol-armed-triazacyclononane host molecule. This molecular machine can discriminate ribonucleotides based on a twofold to tenfold difference in binding constants under optimized conditions including accompanying ions in the subphase and lateral surface pressures of its Langmuir monolayer. The concept of mechanical tuning of the host structure for optimization of molecular recognition should become a novel methodology in bio-related nanotechnology as an alternative to traditional strategies based on increasingly complex and inconvenient molecular design strategies.

  20. Investigating effects of hypertonic saline solutions on lipid monolayers at the air-water interface

    KAUST Repository

    Nava Ocampo, Maria F.

    2017-05-01

    More than 70,000 people worldwide suffer from cystic fibrosis, a genetic disease characterized by chronic accumulation of mucus in patients’ lungs provoking bacterial infections, and leading to respiratory failure. An employed age-old treatment to prevent the symptoms of the disease is inhalation of hypertonic saline solution, NaCl at concentrations higher than in the human body (~150 mM). This procedure clears the mucus in the lungs, bringing relief to the patient. However, the biophysical mechanisms underlying this process are not entirely clear. We undertook a new experimental approach to understand the effects of sprayed saline solutions on model lung surfactants towards understanding the mechanisms of the treatment. The surface of lungs contains mainly 1,2-Dipalmitol-sn-glycero-3-phosphocoline (DPPC). As previously assumed by others, we considered that monolayer of DPPC at the air-water interface serves as model system for the lungs surface; we employed a Langmuir-Blodgett (LB) trough and PM-IRRAS to measure surface-specific infrared spectra of the surfactant monolayers and effects on the interfacial tensions. We investigated spraying hyper-saline solutions onto surfactant monolayers at the airwater interface in two parts: (i) validation of our methodology and techniques with stearic acid and (ii) experiments with DPPC monolayers at the air-water interface. Remarkably, when micro-droplets of NaCl were sprayed to the monolayer of stearic acid, we observed enhanced organization of the surfactant, interpreted from the intensities of the CH2 peaks in the surface-specific IR spectra. However, our results with DPPC monolayers didn’t show an effect with the salt added as aerosol, possibly indicating that the experimental methodology proposed is not adequate for the phenomena studied. In parallel, we mimicked respiratory mucous by preparing salt solutions containing 1% (wt%) agar and measured effects on their viscosities. Interestingly, we found that NaCl was much

  1. Surface properties and morphology of mixed POSS-DPPC monolayers at the air/water interface.

    Science.gov (United States)

    Rojewska, Monika; Skrzypiec, Marta; Prochaska, Krystyna

    2017-02-01

    From the point of view of the possible medical applications of POSS (polyhedral oligomeric silsesquioxanes), it is crucial to analyse interactions occurring between POSS and model biological membrane at molecular level. Knowledge of the interaction between POSS and DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine) allows prediction of the impact of POSS contained in biomaterials or cosmetics on a living organism. In the study presented, the surface properties and morphology of Langmuir monolayers formed by mixtures of POSS and the phospholipid (DPPC) at the air/water surface are examined. We selected two POSS derivatives, with completely different chemical structure of substituents attached to the corner of the silicon open cage, which allowed the analysis of the impact of the character of organic moieties (strongly hydrophobic or clearly hydrophilic) on the order of POSS molecules and their tendency to form self-aggregates at the air/water surface. POSS derivatives significantly changed the profile of the π-A isotherms obtained for DPPC but in different ways. On the basis of the regular solution theory, the miscibility and stability of the two components in the monolayer were analysed in terms of compression modulus (Cs(-1)), excess Gibbs free energy (ΔGexc), activity coefficients (γ) and interaction parameter (ξ). The results obtained indicate the existence of two different interaction mechanisms between DPPC and POSS which depend on the chemical character of moieties present in POSS molecules.

  2. Comparison of the dilational behaviour of adsorbed milk proteins at the air-water and oil-water interfaces.

    NARCIS (Netherlands)

    Williams, A.; Prins, A.

    1996-01-01

    The interfacial dilational properties of two milk proteins, β-casein and β-lactoglobulin, have been compared at the air-water and paraffin oil-water interfaces. The measurements were performed as a function of bulk protein concentration using a modified Langmuir trough technique at a frequency of

  3. Stress-strain curves of adsorbed protein layers at the air/water interface measured with surface shear rheology

    NARCIS (Netherlands)

    Martin, A.; Bos, M.; Stuart, M.C.; Vliet, T. van

    2002-01-01

    Interfacial shear properties of adsorbed protein layers at the air/water interface were determined using a Couette-type surface shear rheometer. Such experiments are often used to determine a steady-state ratio between stress and rate of strain, which is then denoted as "surface shear viscosity". Ho

  4. Slow Structural Rearrangement of a Side-Chain Phthalocyanine Methacrylate Polymer at the Air-Water Interface

    NARCIS (Netherlands)

    Nostrum, C.F. van; Nolte, R.J.M.; Devillers, M.A.C.; Oostergetel, G.T.; Teerenstra, M.N.; Schouten, A.J.

    1993-01-01

    A polymethacrylate with dodecoxy-substituted phthalocyanine units in the side chains has been used to form Langmuir-Blodgett monolayers at the air-water interface. The monolayers are highly crystalline. They expand slowly even when a constant surface pressure is applied. The structural change

  5. Protein Exposed Hydrophobicity Reduces the Kinetic Barrier for Adsorption of Ovalbumin to the Air-Water Interface

    NARCIS (Netherlands)

    Wierenga, P.A.; Meinders, M.B.J.; Egmond, M.R.; Voragen, F.A.G.J.; Jongh, H.H.J. de

    2003-01-01

    Using native and caprylated ovalbumin, the role of exposed hydrophobicity on the kinetics of protein adsorption to the air - water interface is studied. First, changes in the chemical properties of the protein upon caprylation were characterized followed by measurement of the changes in adsorption k

  6. Protein exposed hydrophobicity reduces the kinetic barrier for adsoption of ovalbumin to the air-water interface.

    NARCIS (Netherlands)

    Wierenga, P.A.; Meinders, M.B.J.; Egmond, M.R.; Voragen, A.G.J.

    2003-01-01

    Using native and caprylated ovalbumin, the role of exposed hydrophobicity on the kinetics of protein adsorption to the air-water interface is studied. First, changes in the chemical properties of the protein upon caprylation were characterized followed by measurement of the changes in adsorption kin

  7. Comparison of the dilational behaviour of adsorbed milk proteins at the air-water and oil-water interfaces.

    NARCIS (Netherlands)

    Williams, A.; Prins, A.

    1996-01-01

    The interfacial dilational properties of two milk proteins, β-casein and β-lactoglobulin, have been compared at the air-water and paraffin oil-water interfaces. The measurements were performed as a function of bulk protein concentration using a modified Langmuir trough technique at a frequency of 0.

  8. Protein exposed hydrophobicity reduces the kinetic barrier for adsoption of ovalbumin to the air-water interface.

    NARCIS (Netherlands)

    Wierenga, P.A.; Meinders, M.B.J.; Egmond, M.R.; Voragen, A.G.J.

    2003-01-01

    Using native and caprylated ovalbumin, the role of exposed hydrophobicity on the kinetics of protein adsorption to the air-water interface is studied. First, changes in the chemical properties of the protein upon caprylation were characterized followed by measurement of the changes in adsorption

  9. Investigation of adsorption of surfactant at the air-water interface with quantum chemistry method

    Institute of Scientific and Technical Information of China (English)

    CHEN MeiLing; WANG ZhengWu; WANG HaiJun; ZHANG GeXin; TAO FuMing

    2007-01-01

    Density functional theory (DFT) of quantum chemistry was used to optimize the configuration of the anionic surfactant complexes CH3(CH2)7OSO-3(H2O)n (n=0-6) and calculate their molecular frequencies at the B3LYP/6-311+G* level. The interaction of CH3(CH2)7OSO-3 with 1 to 6 water molecules was investigated at the air-water interface with DFT. The results revealed that the hydration shell was formed in the form of H-bond between the hydrophilic group of CH3(CH2)7OSO-3 and 6 waters. The strength of H-bonds belongs to medium. Binding free energy revealed that the hydration shell was stable. The increase of the number of water molecules will cause increases of the total charge of hydrophilic group and S10-O9-C8 bond angle, but decreases of the alkyl chain length and the bond lengths of S10-O11,S10-O12 as well as S10-O13, respectively.

  10. Effects of thermodynamics parameters on mass transfer of volatile pollutants at air-water interface

    Directory of Open Access Journals (Sweden)

    Li-ping Chen

    2015-07-01

    Full Text Available A transient three-dimensional coupling model based on the compressible volume of fluid (VOF method was developed to simulate the transport of volatile pollutants at the air-water interface. VOF is a numerical technique for locating and tracking the free surface of water flow. The relationships between Henry’s constant, thermodynamics parameters, and the enlarged topological index were proposed for nonstandard conditions. A series of experiments and numerical simulations were performed to study the transport of benzene and carbinol. The simulation results agreed with the experimental results. Temperature had no effect on mass transfer of pollutants with low transfer free energy and high Henry’s constant. The temporal and spatial distribution of pollutants with high transfer free energy and low Henry’s constant was affected by temperature. The total enthalpy and total transfer free energy increased significantly with temperature, with significant fluctuations at low temperatures. The total enthalpy and total transfer free energy increased steadily without fluctuation at high temperatures.

  11. Interfacial Interactions and Nanostructure Changes in DPPG/HD Monolayer at the Air/Water Interface

    Directory of Open Access Journals (Sweden)

    Huaze Zhu

    2015-01-01

    Full Text Available Lung surfactant (LS plays a crucial role in regulating surface tension during normal respiration cycles by decreasing the work associated with lung expansion and therefore decreases the metabolic energy consumed. Monolayer surfactant films composed of a mixture of phospholipids and spreading additives are of optional utility for applications in lung surfactant-based therapies. A simple, minimal model of such a lung surfactant system, composed of 1,2-dipalmitoyl-sn-glycero-3-[phosphor-rac-(1-gylcerol] (DPPG and hexadecanol (HD, was prepared, and the surface pressure-area (π-A isotherms and nanostructure characteristics of the binary mixture were investigated at the air/water interface using a combination of Langmuir-Blodgett (LB and atomic force microscopy (AFM techniques. Based on the regular solution theory, the miscibility and stability of the two components in the monolayer were analyzed in terms of compression modulus (Cs-1 , excess Gibbs free energy (ΔGexcπ , activity coefficients (γ, and interaction parameter (ξ. The results of this paper provide valuable insight into basic thermodynamics and nanostructure of mixed DPPG/HD monolayers; it is helpful to understand the thermodynamic behavior of HD as spreading additive in LS monolayer with a view toward characterizing potential improvements to LS performance brought about by addition of HD to lung phospholipids.

  12. Effect of glycyrrhetinic acid on lipid raft model at the air/water interface.

    Science.gov (United States)

    Sakamoto, Seiichi; Uto, Takuhiro; Shoyama, Yukihiro

    2015-02-01

    To investigate an interfacial behavior of the aglycon of glycyrrhizin (GC), glycyrrhetinic acid (GA), with a lipid raft model consisting of equimolar ternary mixtures of N-palmitoyl sphingomyelin (PSM), dioleoylphosphatidylcholine (DOPC), and cholesterol (CHOL), Langmuir monolayer techniques were systematically conducted. Surface pressure (π)-molecular area (A) and surface potential (ΔV)-A isotherms showed that the adsorbed GA at the air/water interface was desorbed into the bulk upon compression of the lipid monolayer. In situ morphological analysis by Brewster angle microscopy and fluorescence microscopy revealed that the raft domains became smaller as the concentrations of GA in the subphase (CGA) increased, suggesting that GA promotes the formation of fluid networks related to various cellular processes via lipid rafts. In addition, ex situ morphological analysis by atomic force microscopy revealed that GA interacts with lipid raft by lying down at the surface. Interestingly, the distinctive striped regions were formed at CGA=5.0 μM. This phenomenon was observed to be induced by the interaction of CHOL with adsorbed GA and is involved in the membrane-disrupting activity of saponin and its aglycon. A quantitative comparison of GA with GC (Sakamoto et al., 2013) revealed that GA interacts more strongly with the raft model than GC in the monolayer state. Various biological activities of GA are known to be stronger than those of GC. This fact allows us to hypothesize that differences in the interactions of GA/GC with the model monolayer correlate to their degree of exertion for numerous activities.

  13. Langmuir nanoarchitectonics: one-touch fabrication of regularly sized nanodisks at the air-water interface.

    Science.gov (United States)

    Mori, Taizo; Sakakibara, Keita; Endo, Hiroshi; Akada, Misaho; Okamoto, Ken; Shundo, Atsuomi; Lee, Michael V; Ji, Qingmin; Fujisawa, Takuya; Oka, Kenichiro; Matsumoto, Mutsuyoshi; Sakai, Hideki; Abe, Masahiko; Hill, Jonathan P; Ariga, Katsuhiko

    2013-06-18

    In this article, we propose a novel methodology for the formation of monodisperse regularly sized disks of several nanometer thickness and with diameters of less than 100 nm using Langmuir monolayers as fabrication media. An amphiphilic triimide, tri-n-dodecylmellitic triimide (1), was spread as a monolayer at the air-water interface with a water-soluble macrocyclic oligoamine, 1,4,7,10-tetraazacyclododecane (cyclen), in the subphase. The imide moieties of 1 act as hydrogen bond acceptors and can interact weakly with the secondary amine moieties of cyclen as hydrogen bond donors. The monolayer behavior of 1 was investigated through π-A isotherm measurements and Brewster angle microscopy (BAM). The presence of cyclen in the subphase significantly shifted isotherms and induced the formation of starfish-like microstructures. Transferred monolayers on solid supports were analyzed by reflection absorption FT-IR (FT-IR-RAS) spectroscopy and atomic force microscopy (AFM). The Langmuir monolayer transferred onto freshly cleaved mica by a surface touching (i.e., Langmuir-Schaefer) method contained disk-shaped objects with a defined height of ca. 3 nm and tunable diameter in the tens of nanometers range. Several structural parameters such as the disk height, molecular aggregation numbers in disk units, and 2D disk density per unit surface area are further discussed on the basis of AFM observations together with aggregate structure estimation and thermodynamic calculations. It should be emphasized that these well-defined structures are produced through simple routine procedures such as solution spreading, mechanical compression, and touching a substrate at the surface. The controlled formation of defined nanostructures through easy macroscopic processes should lead to unique approaches for economical, energy-efficient nanofabrication.

  14. A self-consistent field study of a hydrocarbon droplet at the air-water interface

    NARCIS (Netherlands)

    Hilz, E.; Leermakers, F.A.M.; Vermeer, A.W.P.

    2012-01-01

    A molecularly detailed self-consistent field (SCF) approach is applied to describe a sessile hydrocarbon droplet placed at the air–water interface. Predictions of the contact angle for macroscopic droplets follow from using Neumann's equation, wherein the macroscopic interfacial tensions are compute

  15. Foam fractionation as a tool to study the air-water interface structure-function relationship of wheat gluten hydrolysates.

    Science.gov (United States)

    Wouters, Arno G B; Rombouts, Ine; Schoebrechts, Nele; Fierens, Ellen; Brijs, Kristof; Blecker, Christophe; Delcour, Jan A

    2017-03-01

    Enzymatic hydrolysis of wheat gluten protein improves its solubility and produces hydrolysates with foaming properties which may find applications in food products. First, we here investigated whether foam-liquid fractionation can concentrate wheat gluten peptides with foaming properties. Foam and liquid fractions had high and very low foam stability (FS), respectively. In addition, foam fractions were able to decrease surface tension more pronouncedly than un-fractionated samples and liquid fractions, suggesting they are able to arrange themselves more efficiently at an interface. As a second objective, foam fractionation served as a tool to study the structural properties of the peptides, causing these differences in air-water interfacial behavior. Zeta potential and surface hydrophobicity measurements did not fully explain these differences but suggested that hydrophobic interactions at the air-water interface are more important than electrostatic interactions. RP-HPLC showed a large overlap between foam and liquid fractions. However, a small fraction of very hydrophobic peptides with relatively high average molecular mass was clearly enriched in the foam fraction. These peptides were also more concentrated in un-fractionated DH 2 hydrolysates, which had high FS, than in DH 6 hydrolysates, which had low FS. These peptides most likely play a key role in stabilizing the air-water interface.

  16. Bacterial Swimming at Air/Water and Oil/Water Interfaces

    Science.gov (United States)

    Morse, Michael; Huang, Athena; Li, Guanglai; Tang, Jay

    2012-02-01

    The microbes inhabiting the planet over billions of years have adapted to diverse physical environments of water, soil, and interfaces between water and either solid or air. Following recent studies on bacterial swimming and accumulation near solid surfaces, we turn our attention to the behavior of Caulobacter crescentus, a singly flagellated bacterium, at water/air and water/oil interfaces. The latter is motivated by relevance to microbial degradation of crude oil in light of the recent oil spill in the Gulf of Mexico. Our ongoing study suggests that Caulobacter swarmer cells tend to get physically trapped at both water/air and water/oil interfaces, accumulating at the surface to a greater degree than boundary confinement properties like that of solid surfaces would predict. At the water/air interface, swimmers move in tight circles at half the speed of swimmers in the bulk fluid. At the water/oil interface, swimming circles are even tighter with further reduced swimming speed. We report experimental data and present preliminary analysis of the findings based on low Reynolds number hydrodynamics, the known surface tension, and surface viscosity at the interface. The analysis will help determine properties of the bacterium such as their surface charge and hydrophobicity.

  17. Sticky water surfaces: Helix-coil transitions suppressed in a cell-penetrating peptide at the air-water interface

    Science.gov (United States)

    Schach, Denise; Globisch, Christoph; Roeters, Steven J.; Woutersen, Sander; Fuchs, Adrian; Weiss, Clemens K.; Backus, Ellen H. G.; Landfester, Katharina; Bonn, Mischa; Peter, Christine; Weidner, Tobias

    2014-12-01

    GALA is a 30 amino acid synthetic peptide consisting of a Glu-Ala-Leu-Ala repeat and is known to undergo a reversible structural transition from a disordered to an α-helical structure when changing the pH from basic to acidic values. In its helical state GALA can insert into and disintegrate lipid membranes. This effect has generated much interest in GALA as a candidate for pH triggered, targeted drug delivery. GALA also serves as a well-defined model system to understand cell penetration mechanisms and protein folding triggered by external stimuli. Structural transitions of GALA in solution have been studied extensively. However, cell penetration is an interfacial effect and potential biomedical applications of GALA would involve a variety of surfaces, e.g., nanoparticles, lipid membranes, tubing, and liquid-gas interfaces. Despite the apparent importance of interfaces in the functioning of GALA, the effect of surfaces on the reversible folding of GALA has not yet been studied. Here, we use sum frequency generation vibrational spectroscopy (SFG) to probe the structural response of GALA at the air-water interface and IR spectroscopy to follow GALA folding in bulk solution. We combine the SFG data with molecular dynamics simulations to obtain a molecular-level picture of the interaction of GALA with the air-water interface. Surprisingly, while the fully reversible structural transition was observed in solution, at the water-air interface, a large fraction of the GALA population remained helical at high pH. This "stickiness" of the air-water interface can be explained by the stabilizing interactions of hydrophobic leucine and alanine side chains with the water surface.

  18. Theory and Experiment on the Measurement of Kinetic Rate Constants for Surfactant Exchange at an Air/Water Interface.

    Science.gov (United States)

    Pan; Green; Maldarelli

    1998-09-15

    The paper focuses on the measurement of the rate constants for the kinetic steps of adsorption and desorption of surfactant between an air/water surface and the aqueous bulk sublayer adjacent to the surface. Kinetic constants are determined in nonequilibrium experiments in which either a clean surface is contacted with a bulk solution and surfactant diffuses toward and adsorbs onto the interface, or the area of an established monolayer in equilibrium with an underlying solution is changed, and surfactant exchanges between the surface and bulk. The dynamic tension change due to the surfactant exchange is measured, and compared to predictions of kinetic-diffusive transport models in order to infer the kinetic coefficients as well the diffusion coefficients. Model comparisons for highly surface active surfactants have resolved only the diffusion coefficient as the transport was found to be diffusion controlled; kinetic constants have only been established for less active materials such as alcohols or bolaform surfactants. In this study, we demonstrate that kinetics can be differentiated from diffusion in clean interface adsorption and re-equilibration if high bulk concentrations of the surfactant are used, or in re-equilibration, if the surface is compressed sufficiently. We first establish theoretically that mass transfer shifts from diffusion-limited to mixed as the bulk concentration increases in clean interface adsorption, or the surface compression is increased in re-equilibration. We then experimentally verify this idea by using the polyethoxylated surfactant C12E6 (C12H25 (OCH2CH2)6-OH) and by measuring dynamic surface tensions in clean interface adsorption and re-equilibration, respectively by the shape analysis of pendant bubbles. We find values of 6 x 10(-10) m2/s for the diffusion coefficient, and 1.4 x 10(-5) m/sec and 1.4 x 10(-4) s-1 for the adsorption and desorption rate constants, respectively, in a Frumkin kinetic formulation. While the adsorption

  19. Towards Organized Hybrid Nanomaterials at the Air/Water Interface Based on Liquid-Crystal/ZnO Nanocrystals.

    Science.gov (United States)

    Paczesny, Jan; Wolska-Pietkiewicz, Małgorzata; Binkiewicz, Ilona; Wróbel, Zbigniew; Wadowska, Monika; Matuła, Kinga; Dzięcielewski, Igor; Pociecha, Damian; Smalc-Koziorowska, Julita; Lewiński, Janusz; Hołyst, Robert

    2015-11-16

    The ability to self-assemble nanosized ligand-stabilized metal oxide or semiconductor materials offers an intriguing route to engineer nanomaterials with new tailored properties from the disparate components. We describe a novel one-pot two-step organometallic approach to prepare ZnO nanocrystals (NCs) coated with deprotonated 4-(dodecyloxy)benzoic acid (i.e., an X-type liquid-crystalline ligand) as a model LC system (termed ZnO-LC1 NCs). Langmuir and Langmuir-Blodgett films of the resulting hybrids are investigated. The observed behavior of the ZnO NCs at the air/water interface is rationalized by invoking a ZnO-interdigitation process mediated by the anchored liquid-crystalline shell. The ordered superstructures form according to mechanism based on a ZnO-interdigitation process mediated by liquid crystals (termed ZIP-LC). The external and directed force applied upon compression at the air/water interface and the packing of the ligands that stabilize the ZnO cores drives the formation of nanorods of ordered internal structure. To study the process in detail, we follow a nontraditional protocol of thin-film investigation. We collect the films from the air/water interface in powder form (ZnO-LC1 LB), resuspend the powder in organic solvents and utilize otherwise unavailable experimental techniques. The structural and physical properties of the resulting superlattices were studied by using electron microscopy, atomic force microscopy, X-ray studies, dynamic light scattering, thermogravimetric analysis, UV/Vis absorption, and photoluminescence spectroscopy.

  20. Structure of Polystyrenesulfonate/Surfactant Mixtures at Air-Water Interfaces and Their Role as Building Blocks for Macroscopic Foam.

    Science.gov (United States)

    Schulze-Zachau, Felix; Braunschweig, Björn

    2017-04-11

    Air/water interfaces were modified by oppositely charged poly(sodium 4-styrenesulfonate) (NaPSS) and hexadecyltrimethylammonium bromide (CTAB) polyelectrolyte/surfactant mixtures and were studied on a molecular level with vibrational sum-frequency generation (SFG), tensiometry, surface dilatational rheology and ellipsometry. In order to deduce structure property relations, our results on the interfacial molecular structure and lateral interactions of PSS(-)/CTA(+) complexes were compared to the stability and structure of macroscopic foam as well as to bulk properties. For that, the CTAB concentration was fixed to 0.1 mM, while the NaPSS concentration was varied. At NaPSS monomer concentrations 0.1 mM result in a significant decrease in surface pressure and a complete loss in foamability. However, SFG and surface dilatational rheology provide strong evidence for the existence of PSS(-)/CTA(+) complexes at the interface. At polyelectrolyte concentrations >10 mM, air-water interfaces are dominated by an excess of free PSS(-) polyelectrolytes and small amounts of PSS(-)/CTA(+) complexes which, however, provide higher foam stabilities compared to CTAB free foams. The foam structure undergoes a transition from wet to polyhedral foams during the collapse.

  1. DLVO, hydrophobic, capillary and hydrodynamic forces acting on bacteria at solid-air-water interfaces: Their relative impact on bacteria deposition mechanisms in unsaturated porous media.

    Science.gov (United States)

    Bai, Hongjuan; Cochet, Nelly; Pauss, André; Lamy, Edvina

    2017-02-01

    Experimental and modeling studies were performed to investigate bacteria deposition behavior in unsaturated porous media. The coupled effect of different forces, acting on bacteria at solid-air-water interfaces and their relative importance on bacteria deposition mechanisms was explored by calculating Derjaguin-Landau-Verwey-Overbeek (DLVO) and non-DLVO interactions such as hydrophobic, capillary and hydrodynamic forces. Negatively charged non-motile bacteria and quartz sands were used in packed column experiments. The breakthrough curves and retention profiles of bacteria were simulated using the modified Mobile-IMmobile (MIM) model, to identify physico-chemical attachment or physical straining mechanisms involved in bacteria retention. These results indicated that both mechanisms might occur in both sand. However, the attachment was found to be a reversible process, because attachment coefficients were similar to those of detachment. DLVO calculations supported these results: the primary minimum did not exist, suggesting no permanent retention of bacteria to solid-water and air-water interfaces. Calculated hydrodynamic and resisting torques predicted that bacteria detachment in the secondary minimum might occur. The capillary potential energy was greater than DLVO, hydrophobic and hydrodynamic potential energies, suggesting that film straining by capillary forces might largely govern bacteria deposition under unsaturated conditions.

  2. Reactivity of aldehydes at the air-water interface. Insights from molecular dynamics simulations and ab initio calculations.

    Science.gov (United States)

    Martins-Costa, Marilia T C; García-Prieto, Francisco F; Ruiz-López, Manuel F

    2015-02-14

    Understanding the influence of solute-solvent interactions on chemical reactivity has been a subject of intense research in the last few decades. Theoretical studies have focused on bulk solvation phenomena and a variety of models and methods have been developed that are now widely used by both theoreticians and experimentalists. Much less attention has been paid, however, to processes that occur at liquid interfaces despite the important role such interfaces play in chemistry and biology. In this study, we have carried out sequential molecular dynamics simulations and quantum mechanical calculations to analyse the influence of the air-water interface on the reactivity of formaldehyde, acetaldehyde and benzaldehyde, three simple aldehydes of atmospheric interest. The calculated free-energy profiles exhibit a minimum at the interface, where the average reactivity indices may display large solvation effects. The study emphasizes the role of solvation dynamics, which are responsible for large fluctuations of some molecular properties. We also show that the photolysis rate constant of benzaldehyde in the range 290-308 nm increases by one order of magnitude at the surface of a water droplet, from 2.7 × 10(-5) s(-1) in the gas phase to 2.8 × 10(-4) s(-1) at the air-water interface, and we discuss the potential impact of this result on the chemistry of the troposphere. Experimental data in this domain are still scarce and computer simulations like those presented in this work may provide some insights that can be useful to design new experiments.

  3. Collapsed bipolar glycolipids at the air/water interface: effect of the stereochemistry on the stretched/bent conformations.

    Science.gov (United States)

    Jacquemet, Alicia; Terme, Nolwenn; Benvegnu, Thierry; Vié, Véronique; Lemiègre, Loïc

    2013-12-15

    This article describes a comparative study of several bipolar lipids derived from tetraether structures. The sole structural difference between the main two glycolipids is a unique stereochemical variation on a cyclopentyl ring placed in the middle of the lipids. We discuss the comparative results obtained at the air/water interface on the basis of tensiometry and ellipsometry. Langmuir-Blodgett depositions during lipid film compressions and decompressions were also analyzed by AFM. The lactosylated tetraether (bipolar) lipid structures involved the formation of highly stable multilayers, which are still present at 10 mN m(-1) during decompression. This study suggests also that the stereochemistry of a central cyclopentyl ring dramatically drives the conformation of the corresponding bipolar lipids. Both isomers (trans and cis) adopt a U-shaped (bent) conformation at the air/water interface but the trans cyclopentyl ring induces a much more frustration within this type of conformation. Consequently, this bipolar lipid (trans-tetraether) undergoes a flip of one polar head-group (lactosyl) leading to a stretched conformation during collapse.

  4. PREPARATION OF PERFLUOROOCTANOYL-MODIFIEDPOLY(VINYL-ALCOHOL)S AND THEIR ADSORPTION AT AN AIR-WATER INTERFACE

    Institute of Scientific and Technical Information of China (English)

    Pu-xin Zhu; Xiang-dong Luo; Rui-xia Li; Dac-heng Wu

    2002-01-01

    Perfluorooctanoyl modified poly(vinyl alcohol)s (FPVA) were prepared by means of substituting a small amount of hydroxyl groups on the backbone of poly(vinyl alcohol), for which the initial degree of polymerization is equal to 1750. The substitution extent, defined by the number of substituting units in a chain, for the four FPVA samples was in the range of 0.5-5 perfluorooctanoyl groups per chain. The FPVA samples with the highest substitution extent still had good solubility in water. It was shown by experimental measurement at 30.0±0.1 C that the surface tension of the aqueous solution of the highest substituted FPVA decreased to 16.6 mN/m at a higher concentration, e.g. about 0.1 g/mL. Obviously,macromolecules of FPVA exhibit a very strong tendency to adsorb at the air-water interface, because the hydrophobic perfluorooctanoyl groups in FPVA have a very high surface activity as they are in small molecular fluorinated surfactants.The chain conformation of such a model polymer adsorbed on the air-water interface was also discussed.

  5. Kinetics of adsorption of whey proteins and hydroxypropyl-methyl-cellulose mixtures at the air-water interface.

    Science.gov (United States)

    Pérez, Oscar E; Carrera Sánchez, Cecilio; Pilosof, Ana M R; Rodríguez Patino, Juan M

    2009-08-15

    The aim of this research is to quantify the competitive adsorption of a whey protein concentrate (WPC) and hydroxypropyl-methyl-cellulose (HPMC so called E4M, E50LV and F4M) at the air-water interface by means of dynamic surface tensiometry and Brewster angle microscopy (BAM). These biopolymers are often used together in many food applications. The concentration of both protein and HPMC, and the WPC/HPMC ratio in the aqueous bulk phase were variables, while pH (7), the ionic strength (0.05 M) and temperature (20 degrees C) were kept constant. The differences observed between mixed systems were in accordance with the relative bulk concentration of these biopolymers (C(HPMC) and C(WPC)) and the molecular structure of HPMC. At short adsorption times, the results show that under conditions where both WPC and HPMC could saturate the air-water interface on their own or when C(HPMC) > or = C(WPC), the polysaccharide dominates the surface. At concentrations where none of the biopolymers was able to saturate the interface, a synergistic behavior was observed for HPMC with lower surface activity (E50LV and F4M), while a competitive adsorption was observed for E4M (the HPMC with the highest surface activity). At long-term adsorption the rate of penetration controls the adsorption of mixed components. The results reflect complex competitive/synergistic phenomena under conditions of thermodynamic compatibility or in the presence of a "depletion mechanism". Finally, the order in which the different components reach the interface will influence the surface composition and the film properties.

  6. A narrow amide I vibrational band observed by sum frequency generation spectroscopy reveals highly ordered structures of a biofilm protein at the air/water interface.

    Science.gov (United States)

    Wang, Zhuguang; Morales-Acosta, M Daniela; Li, Shanghao; Liu, Wei; Kanai, Tapan; Liu, Yuting; Chen, Ya-Na; Walker, Frederick J; Ahn, Charles H; Leblanc, Roger M; Yan, Elsa C Y

    2016-02-18

    We characterized BslA, a bacterial biofilm protein, at the air/water interface using vibrational sum frequency generation spectroscopy and observed one of the sharpest amide I bands ever reported. Combining methods of surface pressure measurements, thin film X-ray reflectivity, and atomic force microscopy, we showed extremely ordered BslA at the interface.

  7. Supramolecular 1-D polymerization of DNA origami through a dynamic process at the 2-dimensionally confined air-water interface.

    Science.gov (United States)

    Yonamine, Yusuke; Cervantes-Salguero, Keitel; Minami, Kosuke; Kawamata, Ibuki; Nakanishi, Waka; Hill, Jonathan P; Murata, Satoshi; Ariga, Katsuhiko

    2016-05-14

    In this study, a Langmuir-Blodgett (LB) system has been utilized for the regulation of polymerization of a DNA origami structure at the air-water interface as a two-dimensionally confined medium, which enables dynamic condensation of DNA origami units through variation of the film area at the macroscopic level (ca. 10-100 cm(2)). DNA origami sheets were conjugated with a cationic lipid (dioctadecyldimethylammonium bromide, 2C18N(+)) by electrostatic interaction and the corresponding LB-film was prepared. By applying dynamic pressure variation through compression-expansion processes, the lipid-modified DNA origami sheets underwent anisotropic polymerization forming a one-dimensionally assembled belt-shaped structure of a high aspect ratio although the thickness of the polymerized DNA origami was maintained at the unimolecular level. This approach opens up a new field of mechanical induction of the self-assembly of DNA origami structures.

  8. Adsorption of ionic surfactants at microscopic air-water interfaces using the micropipette interfacial area-expansion method

    DEFF Research Database (Denmark)

    Kinoshita, Koji; Parra, Elisa; Needham, David

    2017-01-01

    The dynamic adsorption of ionic surfactants at air-water interfaces have been less-well studied than that of the simpler non-ionics since experimental limitations on dynamic surface tension (DST) measurements create inconsistencies in their kinetic analysis. Using our newly designed "Micropipette...... interfacial area-expansion method", we have measured and evaluated both equilibrium and dynamic adsorption of a well-known anionic surfactant, sodium dodecyl sulphate (SDS), in the absence or presence of 100mM NaCl. Our focus was to determine if and to what extent the inclusion of a new correction parameter...... for the "ideal ionic activity", A±i, can renormalize both equilibrium and dynamic surface tension measurements and provide better estimates of the diffusion coefficient of ionic surfactants in aqueous media obtained from electroneutral models, namely extended Frumkin isotherm and Ward-Tordai adsorption models...

  9. Synthesis of a Two-Dimensional Covalent Organic Monolayer through Dynamic Imine Chemistry at the Air/Water Interface.

    Science.gov (United States)

    Dai, Wenyang; Shao, Feng; Szczerbiński, Jacek; McCaffrey, Ryan; Zenobi, Renato; Jin, Yinghua; Schlüter, A Dieter; Zhang, Wei

    2016-01-01

    A two-dimensional covalent organic monolayer was synthesized from simple aromatic triamine and dialdehyde building blocks by dynamic imine chemistry at the air/water interface (Langmuir-Blodgett method). The obtained monolayer was characterized by optical microscopy, scanning electron microscopy, and atomic force microscopy, which unambiguously confirmed the formation of a large (millimeter range), unimolecularly thin aromatic polyimine sheet. The imine-linked chemical structure of the obtained monolayer was characterized by tip-enhanced Raman spectroscopy, and the peak assignment was supported by spectra simulated by density functional theory. Given the modular nature and broad substrate scope of imine formation, the work reported herein opens up many new possibilities for the synthesis of customizable 2D polymers and systematic studies of their structure-property relationships.

  10. Two-Photon-Induced Isomerization of Spiropyran/Merocyanine at the Air/Water Interface Probed by Second Harmonic Generation.

    Science.gov (United States)

    Lin, Lu; Zhang, Zhen; Lu, Zhou; Guo, Yuan; Liu, Minghua

    2016-10-13

    Photochromic molecules often exhibit switchable hyperpolarizabilities upon photoisomerization between two molecular states and can be widely applied in nonlinear optical materials. Photoisomerization can occur through either one-photon or two-photon processes. Two-photon-induced isomerization has several advantages over one-photon process but has not been fully explored. In the present study, we have used second harmonic generation to investigate the two-photon-induced isomerization between spiropyran and merocyanine at the air/water interface. We show that spiropyran and merocyanine can be converted into each other reversibly with 780-nm laser-beam irradiation through two-photon processes. We also investigated the isomerization rates under various incident laser powers. Quantitative analysis revealed that the isomerization rates of spiropyran and merocyanine depend differently on the laser power. We attribute the difference to the distinct molecular structures of spiropyran and merocyanine. At the interface, nonplanar spiropyran molecules exist mainly as monomers, whereas planar merocyanine molecules form aggregates. Upon aggregation, steric hindrance effects and excitonic coupling efficiently arrest the photoisomerization of merocyanine. This work provides an in-depth understanding of two-photon-induced isomerization at the interface, which is beneficial for designing and controlling optical thin-film materials.

  11. Tuning the Structure and Rheology of Polystyrene Particles at the Air-Water Interface by Varying the pH.

    Science.gov (United States)

    Truzzolillo, Domenico; Sharaf, Hossameldeen; Jonas, Ulrich; Loppinet, Benoit; Vlassopoulos, Dimitris

    2016-07-12

    We form films of carboxylated polystyrene particles (C-PS) at the air-water interface and investigate the effect of subphase pH on their structure and rheology by using a suite of complementary experimental techniques. Our results suggest that electrostatic interactions drive the stability and the structural order of the films. In particular, we show that by increasing the pH of the subphase from 9 up to 13, the films exhibit a gradual transition from solid to liquidlike, which is accompanied by a loss of the long-range order (that characterizes them at lower values of pH). Direct optical visualization of the layers, scanning electron microscopy, and surface pressure isotherms indicate that the particles deposited at the interface form three-dimensional structures involving clusters, with the latter being suppressed and a quasi-2D particle configuration eventually reached at the highest pH values. Evidently, the properties of colloidal films can be tailored significantly by altering the pH of the subphase.

  12. Langmuir and Langmuir-Blodgett films of capsules of haemoglobin at air/water and solid/air interfaces

    Indian Academy of Sciences (India)

    J Maheshkumar; A Dhathathreyan

    2013-03-01

    Organized assemblies of capsules of haemoglobin (Hb), in the size range of 0.1 to 0.3 in Langmuir films have been studied at air/water interface below and above the isoelectric point. Spread films of these organizates suggest that there is no expulsion of individual particles or particle assemblies at the interface and the particles are stable. Dynamic surface tension and the associated dilational and shear visco-elasticity in these films suggest that the capsules are highly elastic. Multilayer films of the capsules using Langmuir-Blodgett technique have been fabricated by sequential deposition on solid surfaces. These films have been characterized by circular dichroism spectroscopy (CD), atomic force microscopy (AFM), quartz crystal microbalance (QCM) and Fourier transform infrared with reflection absorption spectroscopy (FTIR-RAS). No appreciable change in the secondary structural features of Hb is seen from CD studies indicating the stability of the protein in these organized assemblies. Sizes of these capsules change near the isoelectric point and large swollen multiwalled capsules are formed. The elastic films of capsules of Hb provide a useful post preparation approach for modification of the surface roughness, porosity, and permeability of pre-assembled polypeptide microcapsules.

  13. Molecular dynamics simulations of peptides at the air-water interface: influencing factors on peptide-templated mineralization.

    Science.gov (United States)

    Jain, Alok; Jochum, Mara; Peter, Christine

    2014-12-30

    Biomineralization is the intricate, biomedically highly relevant process by which living organisms deposit minerals on biological matrices to stiffen tissues and build skeletal structures and shells. Rapaport and coworkers ( J. Am. Chem. Soc. 2000 , 122 , 12523 ; Adv. Funct. Mater. 2008 , 18 , 2889 ; Acta Biomater. 2012 , 8 , 2466 ) have designed a class of self-assembling amphiphilic peptides that are capable of forming hydrogels and attracting ions from the environment, generating structures akin to the extracellular matrix and promoting bone regeneration. The air-water interface serves both in experiment and in simulations as a model hydrophobic surface to mimic the cell's organic-aqueous interface and to investigate the organization of the peptide matrix into ordered β-pleated monolayers and the subsequent onset of biomineral formation. To obtain insight into the underlying molecular mechanism, we have used molecular dynamics simulations to study the effect of peptide sequence on aggregate stability and ion-peptide interactions. We find-in excellent agreement with experimental observations-that the nature of the peptide termini (proline vs phenylalanine) affect the aggregate order, while the nature of the acidic side chains (aspartic vs glutamic acid) affect the aggregate's stability in the presence of ions. These simulations provide valuable microscopic insight into the way ions and peptide templates mutually affect each other during the early stages of biomineralization preceding nucleation.

  14. Effects of surface pressure on the properties of Langmuir monolayers and interfacial water at the air-water interface.

    Science.gov (United States)

    Lin, Wei; Clark, Anthony J; Paesani, Francesco

    2015-02-24

    The effects of surface pressure on the physical properties of Langmuir monolayers of palmitic acid (PA) and dipalmitoylphosphatidic acid (DPPA) at the air/water interface are investigated through molecular dynamics simulations with atomistic force fields. The structure and dynamics of both monolayers and interfacial water are compared across the range of surface pressures at which stable monolayers can form. For PA monolayers at T = 300 K, the untilted condensed phase with a hexagonal lattice structure is found at high surface pressure, while the uniformly tilted condensed phase with a centered rectangular lattice structure is observed at low surface pressure, in agreement with the available experimental data. A state with uniform chain tilt but no periodic spatial ordering is observed for DPPA monolayers on a Na(+)/water subphase at both high and low surface pressures. The hydrophobic acyl chains of both monolayers pack efficiently at all surface pressures, resulting in a very small number of gauche defects. The analysis of the hydrogen-bonding structure/dynamics at the monolayer/water interface indicates that water molecules hydrogen-bonded to the DPPA head groups reorient more slowly than those hydrogen-bonded to the PA head groups, with the orientational dynamics becoming significantly slower at high surface pressure. Possible implications for physicochemical processes taking place on marine aerosols in the atmosphere are discussed.

  15. Impact of biogenic amine molecular weight and structure on surfactant adsorption at the air-water interface.

    Science.gov (United States)

    Penfold, Jeffrey; Thomas, Robert K; Li, Peixun

    2016-02-01

    The oligoamines, such as ethylenediamine to pentaethylenetetramine, and the aliphatic biogenic amines, such as putrescine, spermidine and spermine, strongly interact with anionic surfactants, such as sodium dodecylsulfate, SDS. It has been shown that this results in pronounced surfactant adsorption at the air-water interface and the transition from monolayer to multilayer adsorption which depends upon solution pH and oligoamine structure. In the neutron reflectivity, NR, and surface tension, ST, results presented here the role of the oligoamine structure on the adsorption of SDS is investigated more fully using a range of different biogenic amines. The effect of the extent of the intra-molecular spacing between amine groups on the adsorption has been extended by comparing results for cadavarine with putrescine and ethylenediamine. The impact of more complex biogenic amine structures on the adsorption has been investigated with the aromatic phenethylamine, and the heterocyclic amines histamine and melamine. The results provide an important insight into how surfactant adsorption at interfaces can be manipulated by the addition of biogenic amines, and into the role of solution pH and oligoamine structure in modifying the interaction between the surfactant and oligoamine. The results impact greatly upon potential applications and in understanding some of the important biological functions of biogenic amines.

  16. Dynamic performance of duolayers at the air/water interface. 2. Mechanistic insights from all-atom simulations.

    Science.gov (United States)

    Christofferson, Andrew J; Yiapanis, George; Leung, Andy H M; Prime, Emma L; Tran, Diana N H; Qiao, Greg G; Solomon, David H; Yarovsky, Irene

    2014-09-18

    The novel duolayer system, comprising a monolayer of ethylene glycol monooctadecyl ether (C18E1) and the water-soluble polymer poly(vinylpyrrolidone) (PVP), has been shown to resist forces such as wind stress to a greater degree than the C18E1 monolayer alone. This paper reports all-atom molecular dynamics simulations comparing the monolayer (C18E1 alone) and duolayer systems under an applied force parallel to the air/water interface. The simulations show that, due to the presence of PVP at the interface, the duolayer film exhibits an increase in chain tilt, ordering, and density, as well as a lower lateral velocity compared to the monolayer. These results provide a molecular rationale for the improved performance of the duolayer system under wind conditions, as well as an atomic-level explanation for the observed efficacy of the duolayer system as an evaporation suppressant, which may serve as a useful guide for future development for thin films where resistance to external perturbation is desirable.

  17. Two-phase Lattice Boltzmann modelling of streaming potentials: influence of the air-water interface on the electrokinetic coupling

    Science.gov (United States)

    Fiorentino, Eve-Agnès; Toussaint, Renaud; Jouniaux, Laurence

    2017-02-01

    The streaming potential phenomenon is an electrokinetic effect that occurs in porous media. It is characterized by an electrokinetic (EK) coefficient. The aim of this paper is to simulate the EK coefficient in unsaturated conditions using the Lattice Boltzmann method in a 2-D capillary channel. The multiphase flow is simulated with the model of Shan & Chen. The Poisson-Boltzmann equation is solved by implementing the model of Chai & Shi. The streaming potential response shows a non-monotonous behaviour due to the combination of the increase of charge density and decrease of flow velocity with decreasing water saturation. Using a ζ potential of -20 mV at the air-water interface, an enhancement of a factor 5-30 of the EK coefficient, compared to the saturated state, can be observed due to the positive charge excess at this interface which is magnified by the fluid velocity away from the rock surface. This enhancement is correlated to the fractioning of the bubbles, and to the dynamic state of these bubbles, moving or entrapped in the crevices of the channel.

  18. pH effects on the molecular structure of β-lactoglobulin modified air-water interfaces and its impact on foam rheology.

    Science.gov (United States)

    Engelhardt, Kathrin; Lexis, Meike; Gochev, Georgi; Konnerth, Christoph; Miller, Reinhard; Willenbacher, Norbert; Peukert, Wolfgang; Braunschweig, Björn

    2013-09-17

    Macroscopic properties of aqueous β-lactoglobulin (BLG) foams and the molecular properties of BLG modified air-water interfaces as their major structural element were investigated with a unique combination of foam rheology measurements and interfacial sensitive methods such as sum-frequency generation and interfacial dilatational rheology. The molecular structure and protein-protein interactions at the air-water interface can be changed substantially with the solution pH and result in major changes in interfacial dilational and foam rheology. At a pH near the interfacial isoelectric point BLG molecules carry zero net charge and disordered multilayers with the highest interfacial dilatational elasticity are formed at the air-water interface. Increasing or decreasing the pH with respect to the isoelectric point leads to the formation of a BLG monolayer with repulsive electrostatic interactions among the adsorbed molecules which decrease the interfacial dilational elasticity. The latter molecular information does explain the behavior of BLG foams in our rheological studies, where in fact the highest apparent yield stresses and storage moduli are established with foams from electrolyte solutions with a pH close to the isoelectric point of BLG. At this pH the gas bubbles of the foam are stabilized by BLG multilayers with attractive intermolecular interactions at the ubiquitous air-water interfaces, while BLG layers with repulsive interactions decrease the apparent yield stress and storage moduli as stabilization of gas bubbles with a monolayer of BLG is less effective.

  19. Modulation of the adsorption properties at air-water interfaces of complexes of egg white ovalbumin with pectin by the dielectric constant

    NARCIS (Netherlands)

    Kudryashova, E.V.; Jongh, H.H.J.de

    2008-01-01

    The possibility of modulating the mesoscopic properties of food colloidal systems by the dielectric constant is studied by determining the impact of small amounts of ethanol (10%) on the adsorption of egg white ovalbumin onto the air-water interface in the absence and presence of pectin. The adsorpt

  20. The adsorption and unfolding kinetics determines the folding state of proteins at the air-water interface and thereby the equation of state

    NARCIS (Netherlands)

    Wierenga, P.A.; Egmond, M.R.; Voragen, A.G.J.; Jongh, H.H.J.de

    2006-01-01

    Unfolding of proteins has often been mentioned as an important factor during the adsorption process at air-water interfaces and in the increase of surface pressure at later stages of the adsorption process. This work focuses on the question whether the folding state of the adsorbed protein depends o

  1. Galaxy-like organization of floaters at the air-water interface of Faraday waves

    Science.gov (United States)

    Alarcón, Héctor; Périnet, Nicolas; Gutiérrez, Pablo; Gordillo, Leonardo; Mujica, Nicolás

    2016-11-01

    The fluid properties mismatch across an air-liquid interface allows to trap particles at it. These particles are called floaters and appear in nature at different scales: plankton, organic residues, and garbage, all relevant for the oceanic ecosystem. In static systems they tend to attract or repel each other, depending on their wetting properties and buoyancy. When they are subjected to a flow, such as surface waves, they may drift and form structures at the interface. In a recent work using PIV on Faraday waves, we have measured a streaming flow that emerges inside the bulk, leading to a slow circulation of fluid particles across the liquid. The flow is mainly generated by the viscous shearing at the walls of the container. Our new experiments show that this flow has a remarkable effect on the drift of small hydrophilic particles (floaters), which leads to a rare arrangement of the floaters that resemble rotating galaxies. The forcing amplitude determines the galaxy shape, controlling the number and the length of its arms as well as its rotation velocity. Thanks to FONDECYT POSTDOCTORADO N°3160341, N°3140522, N°3140550.

  2. Structure and orientation changes of omega- and gamma-gliadins at the air-water interface: a PM-IRRAS spectroscopy and Brewster angle microscopy study.

    Science.gov (United States)

    Banc, Amélie; Desbat, Bernard; Renard, Denis; Popineau, Yves; Mangavel, Cécile; Navailles, Laurence

    2007-12-18

    Microscopic and molecular structures of omega- and gamma-gliadin monolayers at the air-water interface were studied under compression by three complementary techniques: compression isotherms, polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS), and Brewster angle microscopy (BAM). For high molecular areas, gliadin films are homogeneous, and a flat orientation of secondary structures relative to the interface is observed. With increasing compression, the nature and orientation of secondary structures changed to minimize the interfacial area. The gamma-gliadin film is the most stable at the air-water interface; its interfacial volume is constant with increasing compression, contrary to omega-gliadin films whose molecules are forced out of the interface. gamma-Gliadin stability at a high level of compression is interpreted by a stacking model.

  3. Surface Pressure Study of Lipid Aggregates at the Air Water Interface

    Science.gov (United States)

    Shew, Woody; Ploplis Andrews, Anna

    1996-11-01

    Qualitative and quantitative descriptions of the growth of fatty acid aggregates on a water/air interface were made by analyzing surface pressure measurements taken with a Langmuir Balance. High concentrations of palmitic acid, lauric acid, myristic acid, and also phosphatidylethanolamine in solution with chloroform were applied with a syringe to the surface of the Langmuir Balance and surface pressure was monitored as aggregates assembled spontaneously. The aggregation process for palmitic acid was determined to consist of three distinct parts. Exponential curves were fit to the individual regions of the data and growth and decay constants were determined. Surface pressure varied in very complex ways for lauric acid, myristic acid, and phosphatidylethanolamine yet kinetic measurements yield qualitative information about assembly of those aggregates. This research was supported by NSF Grant No. DMR-93-22301.

  4. Toward a simple molecular understanding of sum frequency generation at air-water interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Noah-Vanhoucke, Joyce; Smith, Jared D.; Geissler, Phillip L.

    2009-01-13

    Second-order vibrational spectroscopies successfully isolate signals from interfaces, but they report on intermolecular structure in a complicated and indirect way. Here we adapt a perspective on vibrational response developed for bulk spectroscopies to explore the microscopic fluctuations to which sum frequency generation (SFG), a popular surface-specific measurement, is most sensitive. We focus exclusively on inhomogeneous broadening of spectral susceptibilities for OH stretching of HOD as a dilute solute in D{sub 2}O. Exploiting a simple connection between vibrational frequency shifts and an electric field variable, we identify several functions of molecular orientation whose averages govern SFG. The frequency-dependence of these quantities is well captured by a pair of averages, involving alignment of OH and OD bonds with the surface normal at corresponding values of the electric field. The approximate form we obtain for SFG susceptibility highlights a dramatic sensitivity to the way a simulated liquid slab is partitioned for calculating second-order response.

  5. Surface properties and conformation of Nephila clavipes spider recombinant silk proteins at the air-water interface.

    Science.gov (United States)

    Renault, Anne; Rioux-Dubé, Jean-François; Lefèvre, Thierry; Pezennec, Stéphane; Beaufils, Sylvie; Vié, Véronique; Tremblay, Mélanie; Pézolet, Michel

    2009-07-21

    The dragline fiber of spiders is composed of two proteins, the major ampullate spidroins I and II (MaSpI and MaSpII). To better understand the assembly mechanism and the properties of these proteins, the adsorption behavior of the recombinant proteins of the spider Nephila clavipes produced by Nexia Biotechnologies Inc. has been studied at the air-water interface using ellipsometry, surface pressure, rheological, and infrared measurements. The results show that the adsorption is more rapid and more molecules are present at the interface for MaSpII than for MaSpI. MaSpII has thus a higher affinity for the interface than MaSpI, which is consistent with its higher aggregation propensity in water. The films formed at the interface consist of networks containing a high content of intermolecular beta-sheets as revealed by the in situ polarization modulation infrared absorption reflection spectra. The infrared results further demonstrate that, for MaSpI, the beta-sheets are formed as soon as the proteins adsorb to the interface while for MaSpII the beta-sheet formation occurs more slowly. The amount of beta-sheets is lower for MaSpII than for MaSpI, most likely due to the presence of proline residues in its sequence. Both proteins form elastic films, but they are heterogeneous for MaSpI and homogeneous for MaSpII most probably as a result of a more ordered and slower aggregation process for MaSpII. This difference in their mechanism of assembly and interfacial behaviors does not seem to arise from their overall hydrophobicity or from a specific pattern of hydrophobicity, but rather from the longer polyalanine motifs, lower glycine content, and higher proline content of MaSpII. The propensity of both spidroins to form beta-sheets, especially the polyalanine blocks, suggests the participation of both proteins in the silk's beta-sheet crystallites.

  6. Dynamic properties of cationic diacyl-glycerol-arginine-based surfactant/phospholipid mixtures at the air/water interface.

    Science.gov (United States)

    Lozano, Neus; Pinazo, Aurora; Pérez, Lourdes; Pons, Ramon

    2010-02-16

    In this Article, we study the binary surface interactions of 1,2-dimyristoyl-rac-glycero-3-O-(N(alpha)-acetyl-L-arginine) hydrochloride (1414RAc) with 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) on 0.1 M sodium chloride solutions. 1414RAc is a novel monocationic surfactant that has potential applications as an antimicrobial agent, is biodegradable, and shows a toxicity activity smaller than that of other commercial cationic surfactants. DPPC phospholipid was used as a model membrane component. The dynamic surface tension of 1414RAc/DPPC aqueous dispersions injected into the saline subphase was followed by tensiometry. The layer formation for the mixtures is always accelerated with respect to DPPC, and surprisingly, the surface tension reduction is faster and reaches lower surface tension values at surfactant concentration below its critical micellar concentration (cmc). Interfacial dilational rheology properties of mixed films spread on the air/water interface were determined by the dynamic oscillation method using a Langmuir trough. The effect of surfactant mole fraction on the rheological parameters of 1414RAc/DPPC mixed monolayers was studied at a relative amplitude of area deformation of 5% and a frequency of 50 mHz. The monolayer viscoelasticity shows a nonideal mixing behavior with predominance of the surfactant properties. This nonideal behavior has been attributed to the prevalence of electrostatic interactions.

  7. Exchange of polycyclic aromatic hydrocarbons across the air-water interface in the Bohai and Yellow Seas

    Science.gov (United States)

    Chen, Yingjun; Lin, Tian; Tang, Jianhui; Xie, Zhiyong; Tian, Chongguo; Li, Jun; Zhang, Gan

    2016-09-01

    In this study, air and surface seawater samples collected from the Bohai (BS) and Yellow Seas (YS) in May 2012 were determined exchange of PAHs, especially of low-molecular-weight (LMW) PAHs (three- and four-ring PAHs) at the air-water interface. Net volatilization fluxes of LMW PAHs were 266-1454 ng/m2/d and decreased with distance from the coast, indicating that these PAHs transported from coastal runoff were potential contributors to the atmosphere in the BS and YS. Moreover, LMW PAHs were enriched in the dissolved phase compared with those in the particulate phase in the water column, possibly suggesting that the volatilized LMW PAHs were directly derived from wastewater discharge or petroleum pollution rather than released from contaminated sediments. The air-sea exchange fluxes of the three-ring PAHs were 2- to 20-fold higher than their atmospheric deposition fluxes in the BS and YS. The input to and output from the water reached equilibrium for four-ring PAHs. Differently, five- and six-ring PAHs were introduced into the marine environment primarily through dry and wet deposition, indicating that the water column was still a sink of these PAHs from the surrounding atmosphere.

  8. Effect of surfactants on surface activity and rheological properties of type I collagen at air/water interface.

    Science.gov (United States)

    Kezwoń, Aleksandra; Góral, Ilona; Frączyk, Tomasz; Wojciechowski, Kamil

    2016-12-01

    We describe the effect of three synthetic surfactants (anionic - sodium dodecyl sulfate (SDS), cationic - cetyltrimethylammonium bromide (CTAB) and nonionic - Triton X-100 (TX-100)) on surface properties of the type I calf skin collagen at the air/water interface in acidic solutions (pH 1.8). The protein concentration was fixed at 5×10(-6)molL(-1) and the surfactant concentration was varied in the range 5×10(-6)molL(-1)-1×10(-4)molL(-1), producing the protein/surfactant mixtures with molar ratios of 1:1, 1:2, 1:5, 1:10 and 1:20. An Axisymmetric Drop Shape Analysis (ADSA) method was used to determine the dynamic surface tension and surface dilatational moduli of the mixed adsorption layers. Two spectroscopic techniques: UV-vis spectroscopy and fluorimetry allowed us to determine the effect of the surfactants on the protein structure. The thermodynamic characteristic of the mixtures was studied using isothermal titration calorimetry (ITC) and differential scanning calorimetry (DSC). Modification of the collagen structure by SDS at low surfactant/protein ratios has a positive effect on the mixture's surface activity with only minor deterioration of the rheological properties of the adsorbed layers. The collagen/CTAB mixtures do not show that pronounced improvement in surface activity, while rheological properties are significantly deteriorated. The mixtures with non-ionic TX-100 do not show any synergistic effects in surface activity.

  9. Absolute Orientation of Molecules with Competing Hydrophilic Head Groups at the Air/Water Interface Probed with Sum Frequency Generation Vibrational Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Feng Wang; Zhi Huang; Zhifeng Cui; Hongfei Wang

    2009-01-01

    The constructive or destructive spectral interference between the molecular groups oriented up and down at the interface in the sum-frequency generation (SFG) spectra provides a direct measurement of the absolute orientation of these molecular groups. This simple approach can be employed to interrogate absolute molecular orientations other than using the complex absolute phase measurement in the SFG studies. We used the -CN group in the p-cyanophenol (PCP) molecule as the internal phase standard, and we measured the phases of the SFG fields of the -CN groups in the 3,5-dimethyl-4-hydroxy-benzonitrile (35DMHBN)and 2,6-dimethyl-4-hydroxy-benzonitrile (26DMHBN) at the air/water interface by measuring the SFG spectra of the aqueous surfaces of the mixtures of the PCP, 35DMHBN, and 26DMHBN solutions. The results showed that the 35DMHBN had its -CN group pointing into the aqueous phase; while the 26DMHBN, similar to the PCP, had its -CN group pointing away from the aqueous phase. The tilt angles of the -CN group for both the 35DMHBN and 26DMHBN molecules at the air/water interface were around 25°-45° from the interface normal. These results provided insights on the understanding of the detailed balance of the competing factors, such as solvation of the polar head groups, hydrogen bonding and hydrophobic effects, etc., on influencing the absolute molecular orientation at the air/water interface.

  10. Vibrational sum-frequency generation spectroscopy of ionic liquid 1-butyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate at the air-water interface

    Science.gov (United States)

    Saha, Ankur; SenGupta, Sumana; Kumar, Awadhesh; Choudhury, Sipra; Naik, Prakash D.

    2016-08-01

    The structure and orientation of room temperature ionic liquid (RTIL) 1-butyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate [PF3(C2F5)3], commonly known as [bmim][fap], have been investigated at the air-[bmim][fap] and air-water interfaces, employing vibrational sum-frequency generation (VSFG) spectroscopy. The VSFG spectra in the CH stretch region suggest presence of the [bmim] cation at the interfaces. Studies reveal that the butyl chain protrudes out into air, and the imidazolium ring lies almost planar to the interface. The CH stretch intensities get enhanced at the air-water interface, mainly because of polar orientation of imidazolium cation induced by interfacial water molecules. The OH stretch intensities are also enhanced at the air-water interface due to polar orientation of interfacial water molecules induced by [bmim][fap]. The Brewster angle microscopy suggests self aggregation of [bmim][fap] in the presence of water, and the aggregation becomes extensive showing dense surface domains with time. However, the surface pressure is almost unaffected due to aggregation.

  11. Adsorption of Hydrophobin-Protein Mixtures at the Air-Water Interface: The Impact of pH and Electrolyte.

    Science.gov (United States)

    Tucker, Ian M; Petkov, Jordan T; Penfold, Jeffrey; Thomas, Robert K; Cox, Andrew R; Hedges, Nick

    2015-09-15

    The adsorption of the proteins β-casein, β-lactoglobulin, and hydrophobin, and the protein mixtures of β-casein/hydrophobin and β-lactoglobulin/hydrophobin have been studied at the air-water interface by neutron reflectivity, NR. Changing the solution pH from 7 to 2.6 has relatively little impact on the adsorption of hydrophobin or β-lactoglobulin, but results in a substantial change in the structure of the adsorbed layer of β-casein. In β-lactoglobulin/hydrophobin mixtures, the adsorption is dominated by the hydrophobin adsorption, and is independent of the hydrophobin or β-lactoglobulin concentration and solution pH. At pH 2.6, the adsorption of the β-casein/hydrophobin mixtures is dominated by the hydrophobin adsorption over the range of β-casein concentrations studied. At pH 4 and 7, the adsorption of β-casein/hydrophobin mixtures is dominated by the hydrophobin adsorption at low β-casein concentrations. At higher β-casein concentrations, β-casein is adsorbed onto the surface monolayer of hydrophobin, and some interpenetration between the two proteins occurs. These results illustrate the importance of pH on the intermolecular interactions between the two proteins at the interface. This is further confirmed by the impact of PBS, phosphate buffered saline, buffer and CaCl2 on the coadsorption and surface structure. The results provide an important insight into the adsorption properties of protein mixtures and their application in foam and emulsion stabilization.

  12. Non-Contact to Contact Transition: Direct Measurements of Interaction Forces between a Solid Probe and a Planar Air-Water Interface

    Institute of Scientific and Technical Information of China (English)

    WU Di; WANG Yi-Zhen; ZHANG Jin-Xiu

    2007-01-01

    The interaction force between a solid probe and a planar air-water interface is measured by using an atomic force microscope. It is demonstrated that during the approach of the probe to the air-water interface, the force curves decline all the time due to the van der Waals attraction and induces a stable profile of water surface raised. When the tip approaches very close to the water surface, force curves jump suddenly, reflecting the complex behaviour of the unstable water surface. With a theoretical analysis we conclude that before the tip touches water surface,two water profiles appear, one stable and the other unstable. Then, with further approaching, the tip touches water surface and the non-contact to contact transition occurs.

  13. Aggregation behaviors of PEO-PPO-ph-PPO-PEO and PPO-PEO-ph-PEO-PPO at an air/water interface: experimental study and molecular dynamics simulation.

    Science.gov (United States)

    Gong, Houjian; Xu, Guiying; Liu, Teng; Xu, Long; Zhai, Xueru; Zhang, Jian; Lv, Xin

    2012-09-25

    The block polyethers PEO-PPO-ph-PPO-PEO (BPE) and PPO-PEO-ph-PEO-PPO (BEP) are synthesized by anionic polymerization using bisphenol A as initiator. Compared with Pluronic P123, the aggregation behaviors of BPE and BEP at an air/water interface are investigated by the surface tension and dilational viscoelasticity. The molecular construction can influence the efficiency and effectiveness of block polyethers in decreasing surface tension. BPE has the most efficient ability to decrease surface tension of water among the three block polyethers. The maximum surface excess concentration (Γ(max)) of BPE is larger than that of BEP or P123. Moreover, the dilational modulus of BPE is almost the same as that of P123, but much larger than that of BEP. The molecular dynamics simulation provides the conformational variations of block polyethers at the air/water interface.

  14. The interaction of eugenol with cell membrane models at the air-water interface is modulated by the lipid monolayer composition.

    Science.gov (United States)

    Gonçalves, Giulia E G; de Souza, Fernanda S; Lago, João Henrique G; Caseli, Luciano

    2015-12-01

    Eugenol, a natural phenylpropanoid derivative with possible action in biological surfaces as microbicide, anesthetic and antioxidant, was incorporated in lipid monolayers of selected lipids at the air-water interface, representing cell membrane models. Interaction of eugenol with the lipids dipalmitoylphosphatidylcholine (DPPC), dioctadecyldimethylammonium bromide (DODAB), and dipalmitoylphosphatidylserine (DPPS) could be inferred by means of surface pressure-area isotherms and Polarization-Modulation Reflection-Absorption Spectroscopy. The interaction showed different effects on the different lipids. A higher monolayer expansion was observed for DPPS and DODAB, while more significant effects on the polar groups of the lipids were observed for DPPS and DPPC. These results pointed to the fact that the interaction of eugenol with lipid monolayers at the air-water interface is modulated by the lipid composition, which may be important to comprehend at the molecular level the interaction of this drug with biological surfaces.

  15. Predicting Air-Water Geysers and Their Implications on Reducing Combined Sewer Overflows

    Science.gov (United States)

    Choi, Y.; Leon, A.; Apte, S.

    2014-12-01

    An air-water geyser in a closed conduit system is characterized by an explosive jetting of a mixture of air and water through drop-shafts. In this study, three scenarios of geysers are numerically simulated using a 3D computational fluid dynamics (CFD) model. The three tested scenarios are comprised of a drop shaft that is closed at its bottom and partially or fully open at the top. Initially, the lower section of the drop shaft is filled with pressurized air, the middle section with stagnant water and the upper section with air at atmospheric pressure. The pressure and volume of the pressurized air, and hence the stored energy, is different for all three test cases. The volume of the stagnant water and the air at atmospheric pressure are kept constant in the tests. The numerical simulations aim to identify the correlation between dimensionless energy stored in the pressurized air pocket and dimensionless maximum pressure reached at the outlet. This dimensionless correlation could be used to determine the energy threshold that does not produce air-water geyser, which in turn could be used in the design of combined sewer systems for minimizing geysers.

  16. Toward a unified picture of the water self-ions at the air-water interface: a density functional theory perspective.

    Science.gov (United States)

    Baer, Marcel D; Kuo, I-Feng W; Tobias, Douglas J; Mundy, Christopher J

    2014-07-17

    The propensities of the water self-ions, H3O(+) and OH(-), for the air-water interface have implications for interfacial acid-base chemistry. Despite numerous experimental and computational studies, no consensus has been reached on the question of whether or not H3O(+) and/or OH(-) prefer to be at the water surface or in the bulk. Here we report a molecular dynamics simulation study of the bulk vs interfacial behavior of H3O(+) and OH(-) that employs forces derived from density functional theory with a generalized gradient approximation exchange-correlation functional (specifically, BLYP) and empirical dispersion corrections. We computed the potential of mean force (PMF) for H3O(+) as a function of the position of the ion in the vicinity of an air-water interface. The PMF suggests that H3O(+) has equal propensity for the interface and the bulk. We compare the PMF for H3O(+) to our previously computed PMF for OH(-) adsorption, which contains a shallow minimum at the interface, and we explore how differences in solvation of each ion at the interface vs in the bulk are connected with interfacial propensity. We find that the solvation shell of H3O(+) is only slightly dependent on its position in the water slab, while OH(-) partially desolvates as it approaches the interface, and we examine how this difference in solvation behavior is manifested in the electronic structure and chemistry of the two ions.

  17. Intraday evaporation and heat fluxes variation at air-water interface of extremely shallow lakes in Chilean Andean Plateau

    Science.gov (United States)

    Vergara, Jaime; de la Fuente, Alberto

    2016-04-01

    Salars are landscapes formed by evapo-concentration of salts that usually have extremely shallow terminal lagoons (de la Fuente & Niño, 2010). They are located in the altiplanic region of the Andes Mountains of Chile, Argentina, Bolivia and Peru, and they sustain highly vulnerable and isolated ecosystems in the Andean Desert. These ecosystems are sustained by benthic primary production, which is directly linked to mass, heat and momentum transfer between the water column and the atmosphere (de la Fuente, 2014). Despite the importance of these transport processes across the air-water interface, there are few studies describing their intraday variation and how they are influenced by the stability of the atmospheric boundary layer in the altiplano. The main objective of this work is to analyze the intraday vertical transport variation of water vapor, temperature and momentum between the atmosphere and a shallow water body on Salar del Huasco located in northern Chile (20°19'40"S, 68°51'25"W). To achieve this goal, we measured atmospheric and water variables in a campaign realized on late October 2015, using high frequency meteorological instruments (a sonic anemometer with an incorporated infrared gas analyzer, and a standard meteorological station) and water sensors. From these data, we characterize the intraday variation of water vapor, temperature and momentum fluxes, we quantify the influence of the atmospheric boundary layer stability on them, and we estimate transfer coefficients associated to latent heat, sensible heat, hydrodynamic drag and vertical transport of water vapor. As first results, we found that latent and sensible heat fluxes are highly influenced by wind speed rather buoyancy, and we can identify four intraday intervals with different thermo-hydrodynamic features: (1) cooling under stable condition with wind speed near 0 from midnight until sunrise; (2) free convection with nearly no wind speed under unstable condition from sunrise until midday

  18. Experimentally probing the libration of interfacial water: the rotational potential of water is stiffer at the air/water interface than in bulk liquid.

    Science.gov (United States)

    Tong, Yujin; Kampfrath, Tobias; Campen, R Kramer

    2016-07-21

    Most properties of liquid water are determined by its hydrogen-bond network. Because forming an aqueous interface requires termination of this network, one might expect the molecular level properties of interfacial water to markedly differ from water in bulk. Intriguingly, much prior experimental and theoretical work has found that, from the perspective of their time-averaged structure and picosecond structural dynamics, hydrogen-bonded OH groups at an air/water interface behave the same as hydrogen-bonded OH groups in bulk liquid water. Here we report the first experimental observation of interfacial water's libration (i.e. frustrated rotation) using the laser-based technique vibrational sum frequency spectroscopy. We find this mode has a frequency of 834 cm(-1), ≈165 cm(-1) higher than in bulk liquid water at the same temperature and similar to bulk ice. Because libration frequency is proportional to the stiffness of water's rotational potential, this increase suggests that one effect of terminating bulk water's hydrogen bonding network at the air/water interface is retarding rotation of water around intact hydrogen bonds. Because in bulk liquid water the libration plays a key role in stabilizing reaction intermediates and dissipating excess vibrational energy, we expect the ability to probe this mode in interfacial water to open new perspectives on the kinetics of heterogeneous reactions at aqueous interfaces.

  19. Silica nanoparticle sols. Part 3: Monitoring the state of agglomeration at the air/water interface using the Langmuir-Blodgett technique.

    Science.gov (United States)

    Blute, Irena; Pugh, Robert J; van de Pas, John; Callaghan, Ian

    2009-08-15

    Langmuir-Blodgett films were prepared at the air/water interface from dispersions of hydrophilic and partially, hydrophobically modified industrially manufactured silica nanoparticles. The hydrophilic particles featured expanded, fairly easily compressible, surface pressure (pi)-area (A) isotherms with well defined collapse pressures which appeared to be caused by the formation of loosely structured agglomerates which exhibited elastic behavior at low surface pressure and inelastic behavior at high surface pressure. Lateral electrostatic interparticle interactions seemingly played an important role in this hydrophilic system. This contrasted with the hydrophobically modified particles which were more difficult to disperse in the ethanol/chloroform spreading solvent and appeared to be in the semi-agglomerated state at low surface pressures and exhibited a more difficult to compress compacted film. Both types of particulate films were shown to be sensitive to the spreading environment and changes in pH were found to increase particle agglomeration which drastically reduced the particulate area for the hydrophilic sol but less so, in the case of the moderately hydrophobically modified sol. In general, the LB technique proved to be a useful method to monitor changes in the state of aggregation of nanosized silica particles at the air/water interface. These results also appear to give some support of our ideas, presented in earlier publications in which it was suggested that the major role of the hydrophobically modified hydrophilic particles in foaming was to produce an aggregated particulate film surrounding the air/water interface which provides a physical barrier preventing coalescence of bubbles.

  20. Savinase action on bovine serum albumin (BSA) monolayers demonstrated with measurements at the air-water interface and liquid Atomic Force Microscopy (AFM) imaging

    DEFF Research Database (Denmark)

    Balashev, Konstantin; Callisen, Thomas H; Svendsen, Allan;

    2011-01-01

    We studied the enzymatic action of Savinase on bovine serum albumin (BSA) organized in a monolayer spread at the air/water interface or adsorbed at the mica surface. We carried out two types of experiments. In the first one we followed the degradation of the protein monolayer by measuring...... the surface pressure and surface area decrease versus time. In the second approach we applied AFM imaging of the supported BSA monolayers adsorbed on mica solid supports and extracted information for the enzyme action by analyzing the obtained images of the surface topography in the course of enzyme action...

  1. Competitive adsorption from mixed hen egg-white lysozyme/surfactant solutions at the air-water interface studied by tensiometry, ellipsometry, and surface dilational rheology.

    Science.gov (United States)

    Alahverdjieva, V S; Grigoriev, D O; Fainerman, V B; Aksenenko, E V; Miller, R; Möhwald, H

    2008-02-21

    The competitive adsorption at the air-water interface from mixed adsorption layers of hen egg-white lysozyme with a non-ionic surfactant (C10DMPO) was studied and compared to the mixture with an ionic surfactant (SDS) using bubble and drop shape analysis tensiometry, ellipsometry, and surface dilational rheology. The set of equilibrium and kinetic data of the mixed solutions is described by a thermodynamic model developed recently. The theoretical description of the mixed system is based on the model parameters for the individual components.

  2. Mechanism of Action of Thymol on Cell Membranes Investigated through Lipid Langmuir Monolayers at the Air-Water Interface and Molecular Simulation.

    Science.gov (United States)

    Ferreira, João Victor N; Capello, Tabata M; Siqueira, Leonardo J A; Lago, João Henrique G; Caseli, Luciano

    2016-04-05

    A major challenge in the design of biocidal drugs is to identify compounds with potential action on microorganisms and to understand at the molecular level their mechanism of action. In this study, thymol, a monoterpenoid found in the oil of leaves of Lippia sidoides with possible action in biological surfaces, was incorporated in lipid monolayers at the air-water interface that represented cell membrane models. The interaction of thymol with dipalmitoylphosphatidylcholine (DPPC) at the air-water interface was investigated by means of surface pressure-area isotherms, Brewster angle microscopy (BAM), polarization-modulation reflection-absorption spectroscopy (PM-IRRAS), and molecular dynamics simulation. Thymol expands DPPC monolayers, decreases their surface elasticity, and changes the morphology of the lipid monolayer, which evidence the incorporation of this compound in the lipid Langmuir film. Such incorporation could be corroborated by PM-IRRAS since some specific bands for DPPC were changed upon thymol incorporation. Furthermore, potential of mean force obtained by molecular dynamics simulations indicates that the most stable position of the drug along the lipid film is near the hydrophobic regions of DPPC. These results may be useful to understand the interaction between thymol and cell membranes during biochemical phenomena, which may be associated with its pharmaceutical properties at the molecular level.

  3. Effects of the conjugation of whey proteins with gellan polysaccharides on surfactant-induced competitive displacement from the air-water interface.

    Science.gov (United States)

    Cai, B; Ikeda, S

    2016-08-01

    Whey proteins can be used to stabilize foams and emulsions against coalescence because of their ability to form viscoelastic films at the interface that resist film rupture on collision between colloidal particles. However, whey proteins are competitively displaced from the interface if small-molecule surfactants are added, leading to destabilization of the entire system. This is because surfactants are more effective in molecular packing at the interface, and they lower interfacial tension to a greater degree than whey proteins do, but their interfacial films are poor in viscoelasticity. We hypothesized that whey proteins would become more resistant to surfactant-induced competitive displacement if they were conjugated with network-forming polysaccharides. The protein moiety of the conjugate would be expected to enable its adsorption to the interface, and the polysaccharide moiety would be expected to form self-assembled networks, strengthening the interfacial film as a whole. In this study, whey proteins were conjugated with gellan polysaccharides using the Maillard reaction. Atomic force microscopy images of interfacial films formed by the whey protein-gellan conjugate at the air-water interface and transferred onto mica sheets using the Langmuir-Blodgett method revealed that gellan did form self-assembled networks at the interface and that interfacial films also contained a large number of unconjugated whey protein molecules. Following the addition of a small-molecule surfactant (Tween 20) to the sub-phase, surface pressure increased, indicating spontaneous adsorption of surfactants to the interface. Atomic force microscopy images showed decreases in interfacial area coverage by whey proteins as surface pressure increased. At a given surface pressure, the interfacial area coverage by whey protein-gellan conjugates was greater than coverage by unconjugated whey proteins, confirming that whey proteins became more resistant to surfactant-induced displacement after

  4. Thin film formation at the air-water interface and on solid substrates of soluble axial substituted cis-bis-decanoate tin phthalocyanine

    Energy Technology Data Exchange (ETDEWEB)

    Campos-Teran, Jose, E-mail: jcampos@correo.cua.uam.mx [Departamento de Procesos y Tecnologia, DCNI, Universidad Autonoma Metropolitana-Cuajimalpa, Artificios 40-sexto piso, Col. Hidalgo, D. F., 001120 (Mexico); Garza, Cristina [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, P. O. Box 20-364, D. F., 01000 (Mexico); Beltran, Hiram I. [Departamento de Ciencias Naturales, DCNI, Universidad Autonoma Metropolitana-Cuajimalpa, Artificios 40-sexto piso, Col. Hidalgo, D. F., 001120 (Mexico); Castillo, Rolando [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, P. O. Box 20-364, D. F., 01000 (Mexico)

    2012-01-01

    Herein we study thin films of a recent kind of soluble axial substituted cis-bis-decanoate-tin{sup IV} phthalocyanine (PcSn10) at the air/water interface, which were compressed isothermally and observed with Brewster Angle Microscopy. The air/water interfacial behavior of the films suggests that there are strong interactions among the PcSn10 molecules, which produces multilayers and 3D self-assemblies that prevent the formation of a Langmuir monolayer. Langmuir-Blodgett deposits of these films on both mica (negatively charged) and mild steel (positively charged) surfaces were developed. Information about the morphology of the film was obtained by using atomic force microscopy. We found structural differences in the PcSn10 thin films deposited on both substrates, suggesting that a combination of {pi}-{pi}, {sigma}-{pi} and Van der Waals interactions are the leading factors for the deposition, and consequently, for the control of supramolecular order. Our findings provide insights in the design of phthalocyanine molecules for the development of highly ordered and reproducible thin films.

  5. Prediction of the air-water partition coefficient for perfluoro-2-methyl-3-pentanone using high-level Gaussian-4 composite theoretical methods.

    Science.gov (United States)

    Rayne, Sierra; Forest, Kaya

    2014-09-19

    The air-water partition coefficient (Kaw) of perfluoro-2-methyl-3-pentanone (PFMP) was estimated using the G4MP2/G4 levels of theory and the SMD solvation model. A suite of 31 fluorinated compounds was employed to calibrate the theoretical method. Excellent agreement between experimental and directly calculated Kaw values was obtained for the calibration compounds. The PCM solvation model was found to yield unsatisfactory Kaw estimates for fluorinated compounds at both levels of theory. The HENRYWIN Kaw estimation program also exhibited poor Kaw prediction performance on the training set. Based on the resulting regression equation for the calibration compounds, the G4MP2-SMD method constrained the estimated Kaw of PFMP to the range 5-8 × 10(-6) M atm(-1). The magnitude of this Kaw range indicates almost all PFMP released into the atmosphere or near the land-atmosphere interface will reside in the gas phase, with only minor quantities dissolved in the aqueous phase as the parent compound and/or its hydrate/hydrate conjugate base. Following discharge into aqueous systems not at equilibrium with the atmosphere, significant quantities of PFMP will be present as the dissolved parent compound and/or its hydrate/hydrate conjugate base.

  6. Adsorption at air-water and oil-water interfaces and self-assembly in aqueous solution of ethoxylated polysorbate nonionic surfactants.

    Science.gov (United States)

    Penfold, Jeffrey; Thomas, Robert K; Li, Peixun X; Petkov, Jordan T; Tucker, Ian; Webster, John R P; Terry, Ann E

    2015-03-17

    The Tween nonionic surfactants are ethoxylated sorbitan esters, which have 20 ethylene oxide groups attached to the sorbitan headgroup and a single alkyl chain, lauryl, palmityl, stearyl, or oleyl. They are an important class of surfactants that are extensively used in emulsion and foam stabilization and in applications associated with foods, cosmetics and pharmaceuticals. A range of ethoxylated polysorbate surfactants, with differing degrees of ethoxylation from 3 to 50 ethylene oxide groups, have been synthesized and characterized by neutron reflection, small-angle neutron scattering, and surface tension. In conjunction with different alkyl chain groups, this provides the opportunity to modify their surface properties, their self-assembly in solution, and their interaction with macromolecules, such as proteins. Adsorption at the air-water and oil-water interfaces and solution self-assembly of the range of ethoxylated polysorbate surfactants synthesized are presented and discussed.

  7. Towards a unified picture of the water self-ions at the air-water interface: a density functional theory perspective

    Energy Technology Data Exchange (ETDEWEB)

    Baer, Marcel D.; Kuo, I-F W.; Tobias, Douglas J.; Mundy, Christopher J.

    2014-07-17

    The propensities of the water self ions, H3O+ and OH- , for the air-water interface has implications for interfacial acid-base chemistry. Despite numerous experimental and computational studies, no consensus has been reached on the question of whether or not H3O+ and/or OH- prefer to be at the water surface or in the bulk. Here we report a molecular dynamics simulation study of the bulk vs. interfacial behavior of H3O+ and OH- that employs forces derived from density functional theory with a generalized gradient approximation exchangecorrelation functional (specifically, BLYP) and empirical dispersion corrections. We computed the potential of mean force (PMF) for H3O+ as a function of the position of the ion in a 215-molecule water slab. The PMF is flat, suggesting that H3O+ has equal propensity for the air-water interface and the bulk. We compare the PMF for H3O+ to our previously computed PMF for OH- adsorption, which contains a shallow minimum at the interface, and we explore how differences in solvation of each ion at the interface vs. the bulk are connected with interfacial propensity. We find that the solvation shell of H3O+ is only slightly dependent on its position in the water slab, while OH- partially desolvates as it approaches the interface, and we examine how this difference in solvation behavior is manifested in the electronic structure and chemistry of the two ions. DJT was supported by National Science Foundation grant CHE-0909227. CJM was supported by the U.S. Department of Energy‘s (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is operated for the Department of Energy by Battelle. The potential of mean force required resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DEAC05-00OR22725. The remaining simulations

  8. Quantum chemical approach in the description of the amphiphile clusterization at the air/liquid and liquid/liquid interfaces with phase nature accounting. I. Aliphatic normal alcohols at the air/water interface.

    Science.gov (United States)

    Vysotsky, Yuri B; Belyaeva, Elena A; Kartashynska, Elena S; Fainerman, Valentine B; Smirnova, Natalia A

    2015-02-19

    A new model based on the quantum chemical approach is proposed to describe structural and thermodynamic parameters of clusterization for substituted alkanes at the air/liquid and liquid/liquid interfaces. The new model by the authors, unlike the previous one, proposes an explicit account of the liquid phase (phases) influence on the parameters of monomers, clusters and monolayers of substituted alkanes at the regarded interface. The calculations were carried out in the frameworks of the quantum chemical semiempirical PM3 method (Mopac 2012), using the COSMO procedure. The new model was tested in the calculations of the clusterization parameters of fatty alcohols under the standard conditions at the air/water interface. The enthalpy, Gibbs' energy and absolute entropy of formation for alcohol monomers alongside with clusterization parameters for the cluster series including the monolayer at air/water interface were calculated. In our calculations the sinkage of monomers, molecules in clusters and monolayers was varied from 1 up to 5 methylene groups. Thermodynamic parameters calculated using the proposed model for the alcohol monolayers are in a good agreement with the corresponding experimental data. However, the proposed model cannot define the most energetically preferable immersion of the monolayer molecules in the water phase.

  9. Interfacial Shear Rheology of β-Lactoglobulin - Bovine Submaxillary Mucin Layers Adsorbed at Air/Water Interface

    DEFF Research Database (Denmark)

    Celebioglu, Hilal Yilmaz; Kmiecik-Palczewska, Joanna; Lee, Seunghwan

    2017-01-01

    , and dominate the surface adsorption and the network formation for the BLG-BSM mixtures. Moreover, BLG-BSM protein mixtures exhibited interfacial properties with lower elastic and viscous moduli than BLG, as a result of competitive displacement of BLG proteins with BSMs from the interface. It is suggested...

  10. Compression/expansion rheology of oil/water interfaces with adsorbed proteins. Comparison with the air/water surface

    NARCIS (Netherlands)

    Benjamins, J.; Lyklema, J.; Lucassen-Reynders, E.H.

    2006-01-01

    Dynamic interfacial tensions and surface dilational moduli were measured for four proteins at three fluid interfaces, as a function of time and concentration. The proteins-ß-casein, ß-lactoglobulin, bovine serum albumin, and ovalbumin - were adsorbed from aqueous solution against air, n-tetradecane,

  11. Compression/expansion rheology of oil/water interfaces with adsorbed proteins. Comparison with the air/water surface

    NARCIS (Netherlands)

    Benjamins, J.; Lyklema, J.; Lucassen-Reynders, E.H.

    2006-01-01

    Dynamic interfacial tensions and surface dilational moduli were measured for four proteins at three fluid interfaces, as a function of time and concentration. The proteins-ß-casein, ß-lactoglobulin, bovine serum albumin, and ovalbumin - were adsorbed from aqueous solution against air, n-tetradecane,

  12. Spread mixed monolayers of deoxycholic and dehydrocholic acids at the air-water interface, effect of subphase pH. Characterization by axisymmetric drop shape analysis.

    Science.gov (United States)

    Messina, Paula V; Fernández-Leyes, Marcos D; Prieto, Gerardo; Ruso, Juan M; Sarmiento, Félix; Schulz, Pablo C

    2008-01-01

    Bile acids (deoxycholic and dehydrocholic acids) spread mixed monolayers behavior at the air/water interface were studied as a function of subphase pH using a constant surface pressure penetration Langmuir balance based on the Axisymmetric Drop Shape Analysis (ADSA). We examined the influence of electrostatic, hydrophobic and hydration forces on the interaction between amphiphilic molecules at the interface by the collapse area values, the thermodynamic parameters and equation of state virial coefficients analysis. The obtained results showed that at neutral (pH=6.7) or basic (pH=10) subphase conditions the collapse areas values are similar to that of cholanoic acid and consistent with the cross-sectional area of the steroid nucleus (approximately 40 A(2)). The Gibbs energy of mixing values (DeltaG(mix) or =1). Such behavior indicates that the polar groups of the molecules interacts each other more strongly by repulsive electrostatic forces than with the more hydrophobic part of the molecule.

  13. Influence of dissolved humic substances on the mass transfer of organic compounds across the air-water interface.

    Science.gov (United States)

    Ramus, Ksenia; Kopinke, Frank-Dieter; Georgi, Anett

    2012-01-01

    The effect of dissolved humic substances (DHS) on the rate of water-gas exchange of two volatile organic compounds was studied under various conditions of agitation intensity, solution pH and ionic strength. Mass-transfer coefficients were determined from the rate of depletion of model compounds from an apparatus containing a stirred aqueous solution with continuous purging of the headspace above the solution (dynamic system). Under these conditions, the overall transfer rate is controlled by the mass-transfer resistance on the water side of the water-gas interface. The experimental results show that the presence of DHS hinders the transport of the organic molecules from the water into the gas phase under all investigated conditions. Mass-transfer coefficients were significantly reduced even by low, environmentally relevant concentrations of DHS. The retardation effect increased with increasing DHS concentration. The magnitude of the retardation effect on water-gas exchange was compared for Suwannee River fulvic and humic acids, a commercially available leonardite humic acid and two synthetic surfactants. The observed results are in accordance with the concept of hydrodynamic effects. Surface pressure forces due to surface film formation change the hydrodynamic characteristics of water motion at the water-air interface and thus impede surface renewal.

  14. Gas transfer velocities for quantifying methane, oxygen and other gas fluxes through the air-water interface of wetlands with emergent vegetation

    Science.gov (United States)

    Poindexter, C.; Variano, E. A.

    2012-12-01

    Empirical models for the gas transfer velocity, k, in the ocean, lakes and rivers are fairly well established, but there are few data to predict k for wetlands. We have conducted experiments in a simulated emergent marsh in the laboratory to explore the relationship between k, wind shear and thermal convection. Now we identify the implications of these results for gas transfer in actual wetlands by (1) quantifying the range of wind conditions in emergent vegetation canopies and the range of thermal convection intensities in wetland water columns, and (2) describing the non-linear interaction of these two stirring forces over their relevant ranges in wetlands. We measured mean wind speeds and wind speed variance within the shearless region of a Schoenoplectus-Typha marsh canopy in the Sacramento-San Joaquin Delta (Northern California, USA). The mean wind speed within this region, , is significantly smaller than wind above the canopy. Based on our laboratory experiments, for calm or even average wind conditions in this emergent marsh k600 is only on the order 0.1 cm hr-1 (for neutrally or stably stratified water columns). We parameterize unstable thermal stratification and the resulting thermal convection using the heat flux through the air-water interface, q. We analyzed a water temperature record for the Schoenoplectus-Typha marsh to obtain a long-term heat flux record. We used these heat flux data along with short-term heat flux data from other wetlands in the literature to identify the range of the gas transfer velocity associated with thermal convection in wetlands. The typical range of heat fluxes through water columns shaded by closed emergent canopies (-200 W m-2 to +200 W m-2) yields k600 values of 0.5 - 2.5 cm hr-1 according to the model we developed in the laboratory. Thus for calm or average wind conditions, the gas transfer velocity associated with thermal convection is significantly larger than the gas transfer velocity associated with wind shear

  15. Controlling the assembly of hydrophobized gold nanoparticles at the air-water interface by varying the interfacial tension

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Shweta; Singh, Nahar [Material Characterization Division, National Physical Laboratory, New Delhi-110012 (India); Sastry, Murali [Tata Chemical Innovation Center, Anmol Pride, Baner Road, Pune-45 (India); Kakkar, Rita [Department of Chemistry, Delhi University, Delhi-110007 (India); Pasricha, Renu, E-mail: pasrichar@mail.nplindia.ernet.i [Material Characterization Division, National Physical Laboratory, New Delhi-110012 (India)

    2010-11-30

    Controlled assembly is the key to harness the nanoscale properties of nanoparticles in most technological applications and it has been an important challenge as it leads to the manipulation of interparticle properties. The present work depicts the control of the assembly of nanoparticles in the monolayers by evaporation kinetics and particle interactions at the air-liquid interface. In the presence of attractive particle-particle and particle-monolayers interactions, nanoparticles self assemble into a superlattice structure upon drying from a colloidal suspension on to the preformed lipid monolayers. This self-assembly mechanism produces monolayers with long-range ordering. However, rapid dewetting and high rate of evaporation can significantly undermine the extent of ordering. Using gold nanoparticles as vehicles for experimentation and by changing the monolayers and solvent, we here demonstrate that the extent of ordering of nanoparticles can be controlled.

  16. Binding structure and kinetics of surfactin monolayer formed at the air/water interface to counterions: A molecular dynamics simulation study.

    Science.gov (United States)

    Gang, Hongze; Liu, Jinfeng; Mu, Bozhong

    2015-10-01

    The binding structure and kinetics of ionized surfactin monolayer formed at the air/water interface to five counterions, Li+, Na+, K+, Ca2+, and Ba2+ (molar ratios of surfactin to monovalent and divalent counterions are 1:2 and 1:1 respectively), have been studied using molecular dynamics simulation. The results show that surfactin exhibits higher binding affinity to divalent counterions, Ca2+, and Ba2+, and smaller monovalent counterion, Li+, than Na+ and K+. Both carboxyl groups in surfactin are accessible for counterions, but the carboxyl group in Glu1 is easier to access by counterions than Asp5. Salt bridges are widely built between carboxyl groups by counterions, and the probability of the formation of intermolecular salt bridge is markedly larger than that of intramolecular salt bridge. Divalent counterions perform well in forming salt bridges between carboxyl groups. The salt bridges mediated by Ca2+ are so rigid that the lifetimes are about 0.13 ns, and the break rates of these salt bridges are 1-2 orders of magnitude smaller than those mediated by K+ which is about 5 ps in duration. The positions of the hydration layer of carboxyl groups are independent of counterions, but the bound counterions induce the dehydration of carboxyl groups and disturb the hydrogen bonds built between carboxyl group and hydration water.

  17. Miscibility of dl-α-tocopherol β-glucoside in DPPC monolayer at air/water and air/solid interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Neunert, G. [Department of Physics and Biophysics, Poznan University of Life Sciences, 60-637 Poznan (Poland); Makowiecki, J.; Piosik, E.; Hertmanowski, R. [Faculty of Technical Physics, Poznan University of Technology, 60-965 Poznan (Poland); Polewski, K. [Department of Physics and Biophysics, Poznan University of Life Sciences, 60-637 Poznan (Poland); Martynski, T., E-mail: tomasz.martynski@put.poznan.pl [Faculty of Technical Physics, Poznan University of Technology, 60-965 Poznan (Poland)

    2016-10-01

    The role of newly synthesized tocopherol glycosidic derivative in modifying molecular organization and phase transitions of phospholipid monolayer at the air/water interface has been investigated. Two-component Langmuir films of dl-α-tocopheryl β-D-glucopyranoside (BG) mixed with dipalmitoyl phosphatidylcholine (DPPC) in the whole range of mole fractions were formed at the water surface. An analysis of surface pressure versus mean molecular area (π-A) isotherms and Brewster angle microscope images showed that the presence of BG molecules changes the structure and packing of the DPPC monolayer in a BG concentration dependent manner. BG molecules incorporated into DPPC monolayer inhibit its liquid expanded to liquid condensed phase transition proportionally to the BG concentration. The monolayers were also transferred onto solid substrates and visualized using an atomic force microscope. The results obtained indicate almost complete miscibility of BG and DPPC in the monolayers at surface pressures present in the biological cell membrane (30-35·10{sup -3} N·m{sup -1}) for a BG mole fraction as high as 0.3. This makes the monolayer less packed and more disordered, leading to an increased permeability. The results support our previous molecular dynamics simulation data. - Highlights: • Langmuir films of α-tocopherol derivative with DPPC was studied thermodynamically. • Mixed DPPC/BG films were transferred onto mica substrates for topography imaging by using AFM. • Miscibility of BG/DPPC films at surface pressures present in membranes was observed up to MF = 0.3.

  18. Floatable, Self-Cleaning, and Carbon-Black-Based Superhydrophobic Gauze for the Solar Evaporation Enhancement at the Air-Water Interface.

    Science.gov (United States)

    Liu, Yiming; Chen, Jingwei; Guo, Dawei; Cao, Moyuan; Jiang, Lei

    2015-06-24

    Efficient solar evaporation plays an indispensable role in nature as well as the industry process. However, the traditional evaporation process depends on the total temperature increase of bulk water. Recently, localized heating at the air-water interface has been demonstrated as a potential strategy for the improvement of solar evaporation. Here, we show that the carbon-black-based superhydrophobic gauze was able to float on the surface of water and selectively heat the surface water under irradiation, resulting in an enhanced evaporation rate. The fabrication process of the superhydrophobic black gauze was low-cost, scalable, and easy-to-prepare. Control experiments were conducted under different light intensities, and the results proved that the floating black gauze achieved an evaporation rate 2-3 times higher than that of the traditional process. A higher temperature of the surface water was observed in the floating gauze group, revealing a main reason for the evaporation enhancement. Furthermore, the self-cleaning ability of the superhydrophobic black gauze enabled a convenient recycling and reusing process toward practical application. The present material may open a new avenue for application of the superhydrophobic substrate and meet extensive requirements in the fields related to solar evaporation.

  19. Sodium dodecyl sulfate-ethoxylated polyethylenimine adsorption at the air-water interface: how the nature of ethoxylation affects the pattern of adsorption.

    Science.gov (United States)

    Batchelor, Stephen N; Tucker, Ian; Petkov, Jordan T; Penfold, Jeffrey; Thomas, Robert K

    2014-08-19

    The strong interaction between ionic surfactants and polyelectrolytes of opposite charge results in enhanced surface adsorption at the air-water interface down to low surfactant concentrations and in some cases in the formation of ordered surface structures. A notable example which exhibits such properties is the mixture of polyethylenimine, PEI, and sodium dodecyl sulfate, SDS. However, the electrostatic interaction, around charge neutralization, between the surfactant and polymer often results in precipitation or coacervation. This can be mitigated for PEI-surfactant mixtures by ethoxylation of the PEI, but this can also result in a weaker surface interaction and a significant reduction in the adsorption. It is shown here that by localizing the ethoxylation of the PEI into discrete regions of the polymer precipitation upon the addition of SDS is suppressed, the strong surface interaction and enhanced adsorption of the polymer-surfactant mixture is retained. The adsorption of SDS in the presence of ethoxylated PEI is greatly enhanced at low SDS concentrations compared to the adsorption for pure SDS. The adsorption is equally pronounced at pH 7 and 10 and is largely independent of the degree of ethoxylation. Surface ordering, more than monolayer adsorption, is observed over a relatively narrow range of SDS concentrations and is most pronounced at pH 10 and for the polymers with the lower degree of ethoxylation. The results show that ethoxylated PEI's reported here provide a suitable route to enhanced surfactant adsorption while retaining favorable solution properties in which precipitation effects are minimized.

  20. Interfacial assembly of cinnamoyl-terminated bolaamphiphiles through the air/water interface: headgroup-dependent assembly, supramolecular nanotube and photochemical sewing.

    Science.gov (United States)

    Liu, Xufei; Wang, Tianyu; Liu, Minghua

    2011-10-06

    A series of cinnamoyl-terminated bolaamphiphiles were synthesized and their assemblies at the air/water interface were investigated. It was found that the assembly behaviour depended on the substituted groups on the cinnamoyl unit. The bolaamphiphile with 4-hydroxycinnamoyl head groups (HCDA) was found to assemble into a supramolecular nanotube, while the others formed only layer-structured films. Moreover, the nanotube formed from HCDA showed supramolecular chirality due to the symmetry breaking. Both the layered films and the nanotubes showed photochemical dimerization upon UV irradiation, which were studied from the UV-Vis, FT-IR spectral and MALDI-TOF MS analysis. Interestingly, such dimerization behavior of the cinnamoyl group could be used to stabilize the nanotube of HCDAvia photochemical sewing. During such a process both the supramolecular chirality and the tubular shapes were kept. Remarkably, such a photochemical sewed chiral nanotube could further induce the chirality of an achiral porphyrin derivative assembled on it, and produced the induced chirality without using any chiral molecules.

  1. Numerical tools to estimate the flux of a gas across the air-water interface and assess the heterogeny of its forcing functions

    Directory of Open Access Journals (Sweden)

    V. M. N. de C. da S. Vieira

    2012-03-01

    Full Text Available A numerical tool was developed for the estimation of gas fluxes across the air water interface. The primary objective is to use it to estimate CO2 fluxes. Nevertheless application to other gases is easily accomplished by changing the values of the parameters related to the physical properties of the gases. A user friendly software was developed allowing to build upon a standard kernel a custom made gas flux model with the preferred parametrizations. These include single or double layer models; several numerical schemes for the effects of wind in the air-side and water-side transfer velocities; the effect of turbulence from current drag with the bottom; and the effects on solubility of water temperature, salinity, air temperature and pressure. It was also developed an analysis which decomposes the difference between the fluxes in a reference situation and in alternative situations into its several forcing functions. This analysis relies on the Taylor expansion of the gas flux model, requiring the numerical estimation of partial derivatives by a multivariate version of the collocation polynomial. Both the flux model and the difference decomposition analysis were tested with data taken from surveys done in the lagoonary system of Ria Formosa, south Portugal, in which the CO2 fluxes were estimated using the IRGA and floating chamber method whereas the CO2 concentrations were estimated using the IRGA and degasification chamber. Observations and estimations show a remarkable fit.

  2. The interaction energies of cholesterol and 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine in spread mixed monolayers at the air-water interface.

    Science.gov (United States)

    Savva, Michalakis; Acheampong, Samuel

    2009-07-23

    The interaction of cholesterol with 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE) was investigated in insoluble miscible mixed monolayers at the air-water interface using a Langmuir balance technique. The strong condensation effects observed at all compositions were quantified on the basis of excess thermodynamic properties of the system. It was found that partial molar areas and work of compression of cholesterol in the mixed monolayers were greatly reduced and increased, respectively, at xDOPE of 0.8, while, in accord with the "umbrella model", the character of cholesterol monolayers was drastically affected even at mole fractions of DOPE as low as 0.2. Calculated Gibbs free energies of mixing were shown to be symmetric about equimolar lipid quantities and considerably decreased at high surface pressures. Interaction energy parameters calculated from values of excess Gibbs energy are found to decrease linearly with surface pressure at a rate of 100 kT m.N(-1), regardless of composition. All evidence points out that cholesterol-DOPE molecular interactions can be adequately simulated using a simple regular mixture model.

  3. Surface interactions, thermodynamics and topography of binary monolayers of Insulin with dipalmitoylphosphatidylcholine and 1-palmitoyl-2-oleoylphosphatidylcholine at the air/water interface.

    Science.gov (United States)

    Grasso, E J; Oliveira, R G; Maggio, B

    2016-02-15

    The molecular packing, thermodynamics and surface topography of binary Langmuir monolayers of Insulin and DPPC (dipalmitoylphosphatidylcholine) or POCP (1-palmitoyl-2-oleoylphosphatidylcholine) at the air/water interface on Zn(2+) containing solutions were studied. Miscibility and interactions were ascertained by the variation of surface pressure-mean molecular area isotherms, surface compressional modulus and surface (dipole) potential with the film composition. Brewster Angle Microscopy was used to visualize the surface topography of the monolayers. Below 20mN/m Insulin forms stable homogenous films with DPPC and POPC at all mole fractions studied (except for films with XINS=0.05 at 10mN/m where domain coexistence was observed). Above 20mN/m, a segregation process between mixed phases occurred in all monolayers without squeezing out of individual components. Under compression the films exhibit formation of a viscoelastic or kinetically trapped organization leading to considerable composition-dependent hysteresis under expansion that occurs with entropic-enthalpic compensation. The spontaneously unfavorable interactions of Insulin with DPPC are driven by favorable enthalpy that is overcome by unfavorable entropic ordering; in films with POPC both the enthalpic and entropic effects are unfavorable. The surface topography reveals domain coexistence at relatively high pressure showing a striped appearance. The interactions of Insulin with two major membrane phospholipids induces composition-dependent and long-range changes of the surface organization that ought to be considered in the context of the information-transducing capabilities of the hormone for cell functioning.

  4. Effect of temperature on the interfacial behavior of a polystyrene-b-poly(methyl methacrylate) diblock copolymer at the air/water interface.

    Science.gov (United States)

    Seo, Yongsok; Cho, Chung Yeon; Hwangbo, Minyoung; Choi, Hyoung Jin; Hong, Soon Man

    2008-03-18

    Monolayers of a polystyrene-poly(methyl methacrylate) (PS-PMMA) diblock copolymer at the air-water interface were studied by measuring the surface pressure-area isotherms at several temperatures. Langmuir film balance experiments and atomic force microscopy showed that the diblock copolymer molecules formed surface micelles. In the plot of the surface pressure versus surface area per repeating unit, the monolayer changed from the gas phase to the liquid expanded phase at lower surface pressure for systems at low temperature compared to those at high temperature. In addition, a plateau, corresponding to the transition from the liquid expanded to liquid condensed phase, appeared in that plot at lower surface pressure for systems with a higher subphase (water) temperature. Hysteresis was observed in the compression-expansion cycle process. Increasing the subphase temperature alleviated this hyteresis gap, especially at low surface pressures. The minimum in the plot of the surface pressure versus surface area per repeating unit in the expansion process (which arises from the transition) and the transition plateau appeared more vividly at higher water temperature. These dynamic experimental results show that PS-PMMA diblock copolymers, in which both blocks are insoluble in water, do not form complicated entanglements in two-dimensional space. Although higher water temperature provided more entropy to the chains, and thus more conformational freedom, it did not change the surface morphology of the condensed film because both blocks of PS-PMMA are insoluble in water.

  5. Quantum-chemical analysis of thermodynamics of two-dimensional cluster formation of alpha-amino acids at the air/water interface.

    Science.gov (United States)

    Vysotsky, Yu B; Fomina, E S; Belyaeva, E A; Aksenenko, E V; Vollhardt, D; Miller, R

    2009-12-31

    The semiempirical quantum-chemical PM3 method is used to calculate the thermodynamic parameters of clusterization of the S-form of alpha-amino acids with the general composition C(n)H(2n+1)CHNH(2)COOH (n = 5-15) at 278 and 298 K. It is shown that six stable conformations of monomers exist, for which the thermodynamic parameters (enthalpy and Gibbs' energy) of the formation and absolute entropy are calculated. The correlation dependencies of the calculated parameters on the alkyl chain length are found to be linear. The structures of the monomers are used to build larger clusters (dimers, tetramers, hexamers). For all small clusters (comprised of two to six molecules), the thermodynamic parameters of formation and clusterization are calculated. It is shown that for tetramers and hexamers the enthalpy, entropy, and Gibbs' energy of clusterization are linearly dependent on the alkyl chain length, whereas for the dimers these dependencies are stepwise. The thermodynamic characteristics of clusterization of associates tilted by angles of 9 and 30 degrees with respect to the normal to the interface are calculated. It is shown that the 30 degrees angle orientation is more energetically advantageous for this class of compounds. The geometric parameters of the unit cell characteristic for the infinite 2D film which corresponds to the most advantageous conformation of the monomer were calculated using the PM3 parametrization to be a = 4.57-4.71 A and b = 5.67-5.75 A, with the angle between the axes theta = 100-103 degrees . These values agree well with the available experimental data. Spontaneous clusterization of alpha-amino acids at the air/water interface at 278 K takes place if the alkyl chain length exceeds 11-12 carbon atoms, whereas for 298 K this clusterization threshold corresponds to 13-14 carbon atoms in the alkyl chain, also in agreement with the experimental data.

  6. Quantum-chemical analysis of thermodynamics of two-dimensional cluster formation of racemic α-amino acids at the air/water interface.

    Science.gov (United States)

    Vysotsky, Yu B; Fomina, E S; Belyaeva, E A; Aksenenko, E V; Fainerman, V B; Vollhardt, D; Miller, R

    2011-03-17

    The quantum-chemical semiempiric PM3 method is used to calculate the thermodynamic parameters of clusterization for the racemic α-amino acids C(n)H(2n+1)CHNH(2)COOH with n=5-15 at 278 and 298 K. Possible relative orientations of the monomers in the heterochiral clusters are considered. It is shown that, for the racemic mixtures of α-amino acids, the formation of heterochiral 2D films is most energetically preferable with the alternating (rather than "checkered") packing of the enantiomers with opposite specific rotation. The two enantiomeric forms of α-amino acids in the heterochiral 2D clusters are tilted with respect to the normal to the q direction at angles of φ(1)=20° and φ(2) = 33°, whereas the single enantiomeric forms are oriented at an angle of δ=9° with respect to the normal to the p direction. It is shown that the heterochiral 2D film based on the α-amino acid structures oriented at the angle φ(2)=33° with respect to the normal to the q direction possesses a rectangular unit cell with the geometric parameters a = 4.62 Å and b = 10.70 Å and the tilt angle of the alkyl chain of the molecule with respect to the interface t(2)=35°, which is in good agreement with the X-ray structural data a=4.80 Å, b=9.67 Å, and t(2)=37°. The parameters of the lattice structure of monolayers formed by amphiphilic amino acids are shown to be determined by the "a" type of the intermolecular H-H interactions, whereas the tilt angle of the molecules with respect to the interface depends on the volume and the structure of the functional groups involved in the hydrophilic part of the molecule. Spontaneous clusterization of the racemic form of α-amino acids at the air/water interface at 278 K takes place if the alkyl chain length is equal or higher than 12-13 carbon atoms, whereas for 298 K this clusterization threshold corresponds to 14 carbon atoms in the hydrocarbon chain. These values agree with the experimental data. © 2011 American Chemical Society

  7. Adsorption of egg phosphatidylcholine to an air/water and triolein/water bubble interface: use of the 2-dimensional phase rule to estimate the surface composition of a phospholipid/triolein/water surface as a function of surface pressure.

    Science.gov (United States)

    Mitsche, Matthew A; Wang, Libo; Small, Donald M

    2010-03-11

    Phospholipid monolayers play a critical role in the structure and stabilization of biological interfaces, including all membranes, the alveoli of the lungs, fat droplets in adipose tissue, and lipoproteins. The behavior of phospholipids in bilayers and at an air-water interface is well understood. However, the study of phospholipids at oil-water interfaces is limited due to technical challenges. In this study, egg phosphatidylcholine (EPC) was deposited from small unilamellar vesicles onto a bubble of either air or triolein (TO) formed in a low-salt buffer. The surface tension (gamma) was measured using a drop tensiometer. We observed that EPC binds irreversibly to both interfaces and at equilibrium exerts approximately 12 and 15 mN/m of pressure (Pi) at an air and TO interface, respectively. After EPC was bound to the interface, the unbound EPC was washed out of the cuvette, and the surface was compressed to study the Pi/area relationship. To determine the surface concentration (Gamma), which cannot be measured directly, compression isotherms from a Langmuir trough and drop tensiometer were compared. The air-water interfaces had identical characteristics using both techniques; thus, Gamma on the bubble can be determined by overlaying the two isotherms. Both TO and EPC are surface-active, so in a mixed TO/EPC monolayer, both molecules will be exposed to water. Since TO is less surface-active than EPC, as Pi increases, the TO is progressively ejected. To understand the Pi/area isotherm of EPC on a TO bubble, a variety of TO-EPC mixtures were spread at the air-water interface. The isotherms show an abrupt break in the curve caused by the ejection of TO from the monolayer into a new bulk phase. By overlaying the compression isotherm above the ejection point with a TO bubble compression isotherm, Gamma can be estimated. This allows determination of Gamma of EPC on a TO bubble as a function of Pi.

  8. Investigating the pathway for the photochemical formation of VOCs in presence of an organic monolayer at the air/water interface.

    Science.gov (United States)

    Tinel, Liselotte; Rossignol, Stéphanie; Ciuraru, Raluca; George, Christian

    2015-04-01

    Investigating the pathway for the photochemical formation of VOCs in presence of an organic monolayer at the air/water interface. Liselotte Tinel, Stéphanie Rossignol, Raluca Ciuraru and Christian George Université de Lyon, Université Lyon 1, CNRS, UMR5256, IRCELYON, Institut de recherches sur la catalyse et l'environnement de Lyon, Villeurbanne, F-69626, France Recently the surface microlayer (SML) has received growing attention for its role in the deposition and emission of trace gases. This SML is presumably a highly efficient environment for photochemical reactions thanks to its physical and chemical properties, showing enrichment in chromophores [1]. Still, little is known about the possible photochemical processes that could influence the emission and deposition of volatile organic compounds (VOCs) in the SML. A recent study underlines the particularity of the presence of an organic microlayer, showing enhanced formation of peptide bonds at the air-water interface, although this reaction is thermodynamically disfavoured in bulk water [2]. Also, emissions of small gas phase carbonyl compounds formed photochemically by dissolved organic matter have been measured above natural water and glyoxal, for example, measured above the open ocean is thought to be photochemically produced [3, 4]. This study presents the results of a set of laboratory studies set up in order to better understand the role of the SML in the photochemical production of VOCs. Recently, our group has shown the formation of VOCs by light driven reactions in a small quartz reactor (14mL) containing aqueous solutions of humic acids (HA) in the presence of an organic (artificial or natural) microlayer [5]. The main VOCs produced were oxidized species, such as aldehydes, ketones and alcohols, as classically can be expected by the oxidation of the organics present at the interface initiated by triplet excited chromophores present in the HA. But also alkenes, dienes, including isoprene and

  9. Micrometeorological measurement of hexachlorobenzene and polychlorinated biphenyl compound air-water gas exchange in Lake Superior and comparison to model predictions

    Directory of Open Access Journals (Sweden)

    M. D. Rowe

    2012-05-01

    Full Text Available Air-water exchange fluxes of persistent, bioaccumulative and toxic (PBT substances are frequently estimated using the Whitman two-film (W2F method, but micrometeorological flux measurements of these compounds over water are rarely attempted. We measured air-water exchange fluxes of hexachlorobenzene (HCB and polychlorinated biphenyls (PCBs on 14 July 2006 in Lake Superior using the modified Bowen ratio (MBR method. Measured fluxes were compared to estimates using the W2F method, and to estimates from an Internal Boundary Layer Transport and Exchange (IBLTE model that implements the NOAA COARE bulk flux algorithm and gas transfer model. We reveal an inaccuracy in the estimate of water vapor transfer velocity that is commonly used with the W2F method for PBT flux estimation, and demonstrate the effect of use of an improved estimation method. Flux measurements were conducted at three stations with increasing fetch in offshore flow (15, 30, and 60 km in southeastern Lake Superior. This sampling strategy enabled comparison of measured and predicted flux, as well as modification in near-surface atmospheric concentration with fetch, using the IBLTE model. Fluxes estimated using the W2F model were compared to fluxes measured by MBR. In five of seven cases in which the MBR flux was significantly greater than zero, concentration increased with fetch at 1-m height, which is qualitatively consistent with the measured volatilization flux. As far as we are aware, these are the first reported ship-based micrometeorological air-water exchange flux measurements of PCBs.

  10. Micrometeorological measurement of hexachlorobenzene and polychlorinated biphenyl compound air-water gas exchange in Lake Superior and comparison to model predictions

    Directory of Open Access Journals (Sweden)

    M. D. Rowe

    2012-01-01

    Full Text Available Air-water exchange fluxes of persistent, bioaccumulative and toxic (PBT substances are frequently estimated using the Whitman two-film (W2F method, but micrometeorological flux measurements of these compounds over water are rarely attempted. We measured air-water exchange fluxes of hexachlorobenzene (HCB and polychlorinated biphenyls (PCBs on 14 July 2006 in Lake Superior using the modified Bowen ratio (MBR method. Measured fluxes were compared to estimates using the W2F method, and to estimates from an Internal Boundary Layer Transport and Exchange (IBLTE model that implements the NOAA COARE bulk flux algorithm and gas transfer model. We reveal an inaccuracy in the estimate of water vapor transfer velocity that is commonly used with the W2F method for PBT flux estimation, and demonstrate the effect of use of an improved estimation method. Flux measurements were conducted at three stations with increasing fetch in offshore flow (15, 30, and 60 km in southeastern Lake Superior. This sampling strategy enabled comparison of measured and predicted flux, as well as modification in near-surface atmospheric concentration with fetch, using the IBLTE model. Fluxes estimated using the W2F model were compared to fluxes measured by MBR. In five of seven cases in which the MBR flux was significantly greater than zero, concentration increased with fetch at 1-m height, which is qualitatively consistent with the measured volatilization flux. As far as we are aware, these are the first reported micrometeorological air-water exchange flux measurements of PCBs.

  11. Intermolecular forces in lipid monolayers. Two-dimensional virial coefficients for pentadecanoic acid from micromanometry on spread monolayers at the air/water interface.

    Science.gov (United States)

    Pallas, Norman R; Pethica, Brian A

    2009-07-07

    The lateral intermolecular forces between surfactant or lipid molecules in monolayers at interfaces are fundamental to understanding the phenomena of surface activity and the interactions of lipids in two-dimensional structures such as smectic phases and biomembranes. The classical approach to these forces is via the two-dimensional virial coefficients, which requires precise micromanometry on monolayer isotherms in the dilute gaseous region. Low pressure isotherms out to high surface areas in the two-dimensional gas range have been measured at 15, 25 and 30 degrees C for insoluble monolayers of n-pentadecanoic acid spread at the interface between water-vapour saturated air and a dilute aqueous solution of HCl. The data allow estimates of virial coefficients up to the third term. The second virial coefficients are compared with those predicted from a statistical mechanical model for monolayers of n-alkylcarboxylic acids treated as side-by-side parallel chains extended at the surface with the carboxyl head groups shielded in the water phase. The two sets coincide at approximately 26 degrees C, but the experimental estimates show a much larger dependence on temperature than the model predicts. Chain conformation effects, head group interactions and surface field polarization are discussed as possible temperature-dependent contributions to the lateral potentials of mean force.

  12. Protein docking prediction using predicted protein-protein interface

    Directory of Open Access Journals (Sweden)

    Li Bin

    2012-01-01

    Full Text Available Abstract Background Many important cellular processes are carried out by protein complexes. To provide physical pictures of interacting proteins, many computational protein-protein prediction methods have been developed in the past. However, it is still difficult to identify the correct docking complex structure within top ranks among alternative conformations. Results We present a novel protein docking algorithm that utilizes imperfect protein-protein binding interface prediction for guiding protein docking. Since the accuracy of protein binding site prediction varies depending on cases, the challenge is to develop a method which does not deteriorate but improves docking results by using a binding site prediction which may not be 100% accurate. The algorithm, named PI-LZerD (using Predicted Interface with Local 3D Zernike descriptor-based Docking algorithm, is based on a pair wise protein docking prediction algorithm, LZerD, which we have developed earlier. PI-LZerD starts from performing docking prediction using the provided protein-protein binding interface prediction as constraints, which is followed by the second round of docking with updated docking interface information to further improve docking conformation. Benchmark results on bound and unbound cases show that PI-LZerD consistently improves the docking prediction accuracy as compared with docking without using binding site prediction or using the binding site prediction as post-filtering. Conclusion We have developed PI-LZerD, a pairwise docking algorithm, which uses imperfect protein-protein binding interface prediction to improve docking accuracy. PI-LZerD consistently showed better prediction accuracy over alternative methods in the series of benchmark experiments including docking using actual docking interface site predictions as well as unbound docking cases.

  13. Effect of hydroperiod on CO2 fluxes at the air-water interface in the Mediterranean coastal wetlands of Doñana

    Science.gov (United States)

    Huertas, I. Emma; Flecha, Susana; Figuerola, Jordi; Costas, Eduardo; Morris, Edward P.

    2017-07-01

    Wetlands are productive ecosystems that play an important role in the Earth's carbon cycle and thus global carbon budgets. Climate variability affects amount of material entering and the metabolic balance of wetlands, thereby modifying carbon dynamics. This study presents spatiotemporal changes in air-water CO2 exchange in the vast wetlands of Doñana (Spain) in relation to different hydrological cycles. Water sources feeding Doñana, including groundwater and streams, ultimately depend on the fluctuating balance between annual precipitation and evapotranspiration. Hence, in order to examine the contribution of the rainfall pattern to the emission/capture of CO2 by a range of aquatic habitats in Doñana, we took monthly measurements during severely wet, dry, and normal hydrological years (2010-2013). During wet hydrological cycles, CO2 outgassing from flooded marshes markedly decreased in comparison to that observed during subsequent dry-normal cycles, with mean values of 25.84 ± 19 and 5.2 ± 8 mmol m-2 d-1, respectively. Under drier meteorological conditions, air-water CO2 fluxes also diminished in permanent floodplains and ponds, which even behaved as mild sinks for atmospheric CO2 during certain periods. Increased inputs of dissolved CO2 from the underground aquifer and the stream following periods of high rainfall are believed to be behind this pattern. Large lagoons with a managed water supply from an adjacent estuary took up atmospheric CO2 nearly permanently. Regional air-water carbon transport was 15.2 GgC yr-1 under wet and 1.24 GgC yr-1 under dry meteorological conditions, well below the estimated net primary production for Doñana wetlands, indicating that the ecosystem acts as a large CO2 sink.

  14. The effect of diesters and lauric acid on rheological properties of air/water interfaces stabilized by oligofructose lauric acid monoesters

    NARCIS (Netherlands)

    Kempen, van S.E.H.J.; Schols, H.A.; Linden, van der E.; Sagis, L.M.C.

    2013-01-01

    In this study, the rheological properties of interfaces stabilized by oligofructose fatty acid esters were elucidated. First, the properties of interfaces stabilized by monoesters (ME), diesters (DE), lauric acid (LA), oligofructose (OF), and mixtures of ME with DE, LA, or OF were studied. Second, t

  15. Air/Water Purification

    Science.gov (United States)

    1992-01-01

    After 18 years of research into air/water pollution at Stennis Space Center, Dr. B. C. Wolverton formed his own company, Wolverton Environmental Services, Inc., to provide technology and consultation in air and water treatment. Common houseplants are used to absorb potentially harmful materials from bathrooms and kitchens. The plants are fertilized, air is purified, and wastewater is converted to clean water. More than 100 U.S. communities have adopted Wolverton's earlier water hyacinth and artificial marsh applications. Catfish farmers are currently evaluating the artificial marsh technology as a purification system.

  16. Diffusive exchange of polycyclic aromatic hydrocarbons across the air-water interface of the Patapsco River, an urbanized subestuary of the Chesapeake Bay

    Energy Technology Data Exchange (ETDEWEB)

    Bamford, H.A.; Offenberg, J.H.; Larsen, R.K.; Ko, F.C.; Baker, J.E. [Univ. of Maryland, Solomons, MD (United States)

    1999-07-01

    Air-water exchange fluxes of 13 polycyclic aromatic hydrocarbons (PAHs) were determined along a transect in the Patapsco River from the Inner Harbor of Baltimore, MD, to the mainstem of the northern Chesapeake Bay. Sampling took place at six sites during three sampling intensives (June 1996, February 1997, and July 1997) and at one site every ninth day between March 1997 and March 1998 to measure spatial, daily, and annual variability in the fluxes. The direction and magnitude of the daily fluxes of individual PAHs were strongly influenced by the wind speed and direction, by the air temperature, and by the highly variable PAH concentrations in the gas and dissolved phases. Individual fluxes ranged from 14,200 ng m{sup {minus}2} day{sup {minus}1} net volatilization of fluorene during high winds to 11,400 ng m{sup {minus}2} day{sup {minus}1} net absorption of phenanthrene when prevailing winds blowing from the northwest across the city of Baltimore elevated gaseous PAH concentrations over the water. The largest PAH volatilization fluxes occurred adjacent to the stormwater discharges, driven by elevated dissolved PAH concentrations in surface waters. Estimated annual volatilization fluxes ranged from 1.1 {micro}g m{sup {minus}2} yr{sup {minus}1} for chrysene to 800 {micro}g m{sup {minus}2} yr{sup {minus}1} for fluorene.

  17. The effect of diesters and lauric acid on rheological properties of air/water interfaces stabilized by oligofructose lauric acid monoesters.

    Science.gov (United States)

    van Kempen, Silvia E H J; Schols, Henk A; van der Linden, Erik; Sagis, Leonard M C

    2013-08-14

    In this study, the rheological properties of interfaces stabilized by oligofructose fatty acid esters were elucidated. First, the properties of interfaces stabilized by monoesters (ME), diesters (DE), lauric acid (LA), oligofructose (OF), and mixtures of ME with DE, LA, or OF were studied. Second, the properties of interfaces stabilized by the crude product (CP) containing ME, DE, LA, and OF were studied. The dependency of the dilatational modulus on frequency and deformation amplitude indicated the possible formation of a soft glass phase for ME, and a viscous interface for DE. When ME and DE were mixed at a ratio of 0.8/0.2, the experimental results suggest that the interfacial structure consists of islands of a glass phase formed by ME, dispersed in a 2D viscous phase of DE. CP stabilized interfaces, where the ratio ME/DE was higher, lead to a different rheological response. The ratio ME/DE plays an important role in the surface properties of the CP. This may have significant consequences for applications in macroscopic systems such as foams.

  18. INFLUENCE OF 1-BUTANOL, 1,2-BUTANEDIOL AND1,2,3,4-BUTANETETROL ON THE ADSORPTION OF β-LACTOGLOBULINAT THE AIR-WATER INTERFACE

    Directory of Open Access Journals (Sweden)

    Carmen María Romero

    2011-11-01

    Full Text Available In this work, a systematic study on theeffect of 1-butanol, 1,2-butanediol and1,2,3,4-butanetetrol (erythritol on thesurface tension of β-lactoglobulin inaqueous solution at pH 6.5 and 298.15K is presented.The experimental data were used tocalculate the surface pressure and wereadjusted to different protein adsorptionmodels at the liquid-air interface to explainthe behavior of β-lactoglobulin inaqueous solution. The results show thatthe alcohols produce a significant effecton the adsorption behavior of the proteinat the interface that is related to the numberof hydroxyl groups.

  19. Effect of binding of an oligomeric cationic fluorosurfactant on the dilational rheological properties of gelatin adsorbed at the air-water interface.

    Science.gov (United States)

    Rao, Ashwin; Kim, Yongsin; Kausch, Charles M; Thomas, Richard R

    2006-09-12

    The effect of binding of an oligomeric cationic fluorooxetane surfactant on the interfacial properties of adsorbed gelatin-fluorooxetane complexes has been studied using dynamic surface tension and dilational rheological measurements. Adsorption kinetics of gelatin-fluorooxetane complexes are reminiscent of a mixed (barrier/diffusion limited) process, while the dilational rheological properties of the interface exhibit a strong dependence on surfactant concentration. At low surfactant concentrations, dilational surface moduli as well as phase angles are relatively insensitive to the presence of the fluorooxetane. However, at the critical aggregation concentration of the polymer-surfactant system, there is a sharp increase in the complex modulus. Further increase in the fluorooxetane concentration does not significantly affect the complex modulus. The phase angle, however, does increase with increasing fluorooxetane concentration due to the transport of bound fluorooxetane from the subsurface to the solution-air interface. These results indicate that, at fluorooxetane concentrations exceeding the critical aggregation concentration, the polymer-surfactant complexes adsorb to form cross-linked multilayers at the solution-air interface.

  20. New sensitive micro-measurements of dynamic surface tension and diffusion coefficients: Validated and tested for the adsorption of 1-Octanol at a microscopic air-water interface and its dissolution into water.

    Science.gov (United States)

    Kinoshita, Koji; Parra, Elisa; Needham, David

    2017-02-15

    Currently available dynamic surface tension (DST) measurement methods, such as Wilhelmy plate, droplet- or bubble-based methods, still have various experimental limitations such as the large size of the interface, convection in the solution, or a certain "dead time" at initial measurement. These limitations create inconsistencies for the kinetic analysis of surfactant adsorption/desorption, especially significant for ionic surfactants. Here, the "micropipette interfacial area-expansion method" was introduced and validated as a new DST measurement having a high enough sensitivity to detect diffusion controlled molecular adsorption at the air-water interfaces. To validate the new technique, the diffusion coefficient of 1-Octanol in water was investigated with existing models: the Ward Tordai model for the long time adsorption regime (1-100s), and the Langmuir and Frumkin adsorption isotherm models for surface excess concentration. We found that the measured diffusion coefficient of 1-Octanol, 7.2±0.8×10(-6)cm(2)/s, showed excellent agreement with the result from an alternative method, "single microdroplet catching method", to measure the diffusion coefficient from diffusion-controlled microdroplet dissolution, 7.3±0.1×10(-6)cm(2)/s. These new techniques for determining adsorption and diffusion coefficients can apply for a range of surface active molecules, especially the less-characterized ionic surfactants, and biological compounds such as lipids, peptides, and proteins. Copyright © 2016 Elsevier Inc. All rights reserved.

  1. Monolayer and Brewster angle microscopy study of human serum albumin-dipalmitoyl phosphatidyl choline mixtures at the air-water interface.

    Science.gov (United States)

    Toimil, Paula; Prieto, Gerardo; Miñones, José; Trillo, José M; Sarmiento, Félix

    2012-04-01

    The aim of this study is to deepen the understanding of the behavior of human serum albumin (HSA) and 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) mixed monolayers. For this purpose, different amounts of DPPC were spread at 25°C on the water surface containing a monolayer of HSA. Surface film balance and Brewster angle microscopy techniques have been used to analyze the structural and energetic characteristics (structure, topography, thickness, miscibility and interactions) of these mixtures. HSA/DPPC mixed monolayers exhibit two phase transitions evidenced by two discontinuities in the corresponding π-A isotherms and by two minimum values in the compressional modulus (C(s)(-1))-surface pressure (π) curves. The plot of the molecular areas occupied by the mixed monolayers as function of the mass fraction of DPPC shows the absence of deviations from linearity, a typical behavior for ideal or inmiscible system. This result was confirmed from the values calculated for the free energy of excess (ΔG(exc)), which are practically zero whatever the composition of the mixtures and the surface pressures at which ΔG(exc) values were calculated. In addition, relative thickness values of HSA/DPPC mixed monolayers showed the existence of an exclusion surface pressure (π(exc)), below which the monolayer is composed of a mixture of both components, while above π(exc) the HSA molecules are squeezed out the interface, but not totally. In fact, although in this region DPPC domains predominate at the interface, the existence of protein molecules in a packing "loops" configuration can be observed in BAM images. Moreover, relative thickness measurements confirm this hypothesis.

  2. Spectroscopic characterizations of non-amphiphilic 2-(4-biphenylyl)-6-phenyl benzoxazole molecules at the air-water interface and in Langmuir-Blodgett films

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, S.A. [Department of Physics, Tripura University, Suryamaninagar, Agartala: 799130 Tripura (India); Deb, S. [Department of Physics, Tripura University, Suryamaninagar, Agartala: 799130 Tripura (India); Bhattacharjee, D. [Department of Physics, Tripura University, Suryamaninagar, Agartala: 799130 Tripura (India)]. E-mail: tuphysic@sancharnet.in

    2005-09-15

    This communication reports about the successful incorporation of a well-known non-amphiphilic derivative of oxazole chromophore 2-(4-biphenylyl)-6-phenyl benzoxazole abbreviated as PBBO, in Langmuir-Blodgett films when mixed with stearic acid (SA) as well as also an inert polymer matrix polymethylmethacrylate (PMMA). The surface pressure versus area per molecule isotherms of the Langmuir films of PBBO mixed with PMMA or SA at different mole fractions reveal that the area per molecule decreases consistently with increasing mole fractions of PBBO. Area per molecule versus mole fraction curve shows that the experimental data points coincide with the ideality curve predicted by the additivity rule, which leads to the conclusion of either ideal mixing or complete demixing of the binary components. The UV-vis absorption and fluorescence spectroscopic studies of mixed LB films of PBBO reveal the nature of complete demixing of the binary components of the sample molecules (PBBO) and PMMA or SA molecules. This complete demixing leads to the formation of clusters and aggregates of PBBO molecules in Langmuir and Langmuir-Blodgett films. J-type aggregates of PBBO molecules in LB films have been confirmed by UV-vis absorption spectroscopic study. Aggregation of PBBO molecules in LB films giving rise to excimeric emission has been demonstrated by fluorescence spectroscopic study. Excitation spectroscopic study clearly confirmed the presence of excimeric sites.

  3. The trade-off between heat tolerance and metabolic cost drives the bimodal life strategy at the air-water interface

    KAUST Repository

    Fusi, Marco

    2016-01-13

    The principle of oxygen and capacity limitation of thermal tolerance in ectotherms suggests that the long-term upper limits of an organism\\'s thermal niche are equivalent to the upper limits of the organism\\'s functional capacity for oxygen provision to tissues. Air-breathing ectotherms show wider thermal tolerances, since they can take advantage of the higher availability of oxygen in air than in water. Bimodal species move from aquatic to aerial media and switch between habitats in response to environmental variations such as cyclical or anomalous temperature fluctuations. Here we tested the prediction that bimodal species cope better with thermal stress than truly aquatic species using the crab Pachygrapsus marmoratus as a model species. When in water, oxygen consumption rates of P. marmoratus acutely rise during warming. Beyond a temperature threshold of 23 °C the crab\\'s aerobic metabolism in air remains lower than in water. In parallel, the haemolymph oxygen partial pressure of submerged animals progressive decreases during warming, while it remains low but constant during emersion. Our results demonstrate the ability of a bimodal breathing ectotherm to extend its thermal tolerance during air-breathing, suggesting that there are temperature-related physiological benefits during the evolution of the bimodal life style.

  4. Ordered supramolecular assembly of bis[3,4,12,13,21,22,30, 31-octa(dodecylthio)-2,3-naphthalocyaninato] erbium at the air/water interface

    Institute of Scientific and Technical Information of China (English)

    CHEN; Ya; nli

    2001-01-01

    -type (na)phthalocyaninato and porphyrinato rare earth complexes, Polyhedron, 2000, 19:1381.[12]Jiang. J.. Kasuga, K., Dennis, P. et al., Supramolecular Photosensitive and Electroactive Materials, New York: Academic Press. 2001. 113-210.[13]Van Nostrum. C. F., Nolte, R. J. M., Functional supramolecular material: self-assembly of phthalocyanines and porphyraszines. Chem. Commun., 1996: 2385.[14]Liu. Y., Shigehara, K., Yamada, A., Purification of lutetium diphthalocyanine and electrochromism of its Langmuir-Blodgett films, Thin Solid Films, 1989, 179: 303.[15]Liu. Y.. Shigehara, K., Hara, M. et al., Electrochemistry and electrochromic behavior of Langmuir-Blodgett films of octakis-substituted rare-earth metal diphthalocyanines, J. Am. Chem. Soc., 1991,113: 440.[16]Jones, R., Hunter, R. A., Davidson, K., Ordered Langmuir-Blodgett films of a substituted lutetium bisphthalocyanine, Thin Solid Films,1994, 250: 249.[17]Jones, R., Krier, A., Davidosn, K., Structure electrical conductivity and electrochromism in thin film of substituted and unsubstituted lanthanide bisphthalocyanines, Thin Solid Films, 1997, 298: 228.[18]Qian, D. -J., Liu, H. -G., Jiang, J., Monolayers and Langmuir-Blodgett films of (phthalocyaninato)(tetra-4-pyridylporphyrinato) cerium double-decker heteto complex, Colloids and Surfaces A, 2000,163:191.[19]Honig, E. P., Hengst, J. H. T., Engelsen, D. D., Langmuir-Blodgett deposition ratios, J. Colloid Interface Sci., 1973, 45:92.[20]Smolenyak, P., Peterson, R., Nesesny, K. et al., Highly ordered thin films of octasubstituted phthalocyanines, J. Am. Chem.Soc., 1999, 121: 8628.[21]Kasha, M., Rawls, H. R., E1-Bayoumi, M. A., The excition model in molecular spectroscopy, Pure Appl. Chem., 1965, 11: 371.[22]Fujiki, M., Tabei, H., Kurihara, T., Self-assembling features of soluble nickel phthalocyanines, J. Phys. Chem., 1988, 92:1281.[23]Osburn, E. J., Chau, L. -K., Chen, S. -Y. et al., Novel amphiphilic phthalocyanines

  5. 3种芦丁脂肪酸酯在空气/水界面的成膜性质%Monolayers of Three Amphiphilic Esters of Rutin at the Air-water Interface

    Institute of Scientific and Technical Information of China (English)

    段煜; 杜宗良; 李瑞霞; 吴大诚

    2011-01-01

    The π - A isotherms for monolayers of three amphiphilic rutin esters, rutin - 4''' - 0 - stearate ( RS ), rutin - 4''' - 0 -laurate (RL) and rutin -4''' -0 -caproate (RC), were measured at the air-water interface and air-aqueous aluminum sulfate solution interface.The properties of the monolayers of three rutin esters were related to the carbon number of alkyl, the compression rate and the property of substrate.Although RS and RL showed scant water solubility, they formed monolayers with the liquid-expanded phase when spread on water.While RC could not form insoluble monolayer at the air-water interface, which may be due to the larger water solubility of RC.Appropriately low compression rate was critical to the formation of relatively stable monolayers.When spread on an aqueous aluminum sulfate solution, the formation of a complex between the aluminum ions and the rutin ester resulted in higher values of acoll for RS and RL monolayers compared with their values on water, and RC could spread as liquid-expanded phase monolayer.The present results provided valuable information for investigating the interaction of flavonoids and biomembranes and the anti-oxidant mechanism of flavonoids.%采用LB膜分析仪分别研究了芦丁硬脂酸酯(RS)、芦丁月桂酸酯(RL)和芦丁正己酸酯(RC)在空气/水界面的成膜性质,及亚相中的Al3+对3种芦丁脂肪酸酯成膜性质的影响.结果显示,3种芦丁脂肪酸酯的成膜性质与其疏水基的碳链长度、压膜速度和亚相性质有关.RS和RL能在水面铺展为液态扩张膜,RC则不能成膜.引入芦丁分子中的疏水基碳链越长,成膜越稳定.慢速压膜利于膜稳定性,膜的崩溃压大;较快速压膜能使更多膜分子保留在水表面,膜的平均分子面积大.选择适宜的压膜速度对得到比较稳定的芦丁脂肪酸酯膜很关键.当亚相中含Al3+时,RS、RL和RC均铺展成液态扩张膜,且RS膜和RL膜崩溃时的分子面积(acoll)大于它们在水表

  6. Purified oleosins at air-water interfaces

    NARCIS (Netherlands)

    Nikiforidis, C.V.; Ampatzidis, C.; Lalou, S.; Scholten, E.; Karapantsios, T.D.; Kiosseoglou, V.

    2013-01-01

    Oleosins are low molecular mass proteins that are distinguished from other proteins for their extended central hydrophobic domain which covers almost half of its entity. For this work, they were extracted from isolated maize germ oil bodies. The purification steps included washing with diethylether

  7. Purified oleosins at air-water interfaces

    NARCIS (Netherlands)

    Nikiforidis, C.V.; Ampatzidis, C.; Lalou, S.; Scholten, E.; Karapantsios, T.D.; Kiosseoglou, V.

    2013-01-01

    Oleosins are low molecular mass proteins that are distinguished from other proteins for their extended central hydrophobic domain which covers almost half of its entity. For this work, they were extracted from isolated maize germ oil bodies. The purification steps included washing with diethylether

  8. Self-Organization of Polystyrene-b-polyacrylic Acid (PS-b-PAA) Monolayer at the Air/Water Interface: A Process Driven by the Release of the Solvent Spreading.

    Science.gov (United States)

    Guennouni, Zineb; Cousin, Fabrice; Fauré, Marie-Claude; Perrin, Patrick; Limagne, Denis; Konovalov, Oleg; Goldmann, Michel

    2016-03-01

    We present an in situ structural study of the surface behavior of PS-b-PAA monolayers at the air/water interface at pH 2, for which the PAA blocks are neutral and using N,N-dimethyformamide (DMF) as spreading solvent. The surface pressure versus molecular area isotherm shows a perfectly reversible pseudoplateau over several cycles of compression/decompression. The width of such plateau enlarges when increasing temperature, conversely to what is classically observed in the case of an in-plane first order transition. We combined specular neutron reflectivity (SNR) experiments with contrast variation to solve the profile of each block perpendicular to the surface with grazing-incidence small-angle scattering (GISAXS) measurements to determine the in-plane structure of the layer. SNR experiments showed that both PS and PAA blocks remain adsorbed on the surface for all surface pressure probed. A correlation peak at Q(xy)* = 0.021 Å(-1) is evidenced by GISAXS at very low surface pressure which intensity first increases on the plateau. When compressing further, its intensity decays while Q(xy)* is shifted toward low Q(xy). The peak fully disappears at the end of the plateau. These results are interpreted by the formation of surface aggregates induced by DMF molecules at the surface. These DMF molecules remain adsorbed within the PS core of the aggregates. Upon compression, they are progressively expelled from the monolayer, which gives rise to the pseudoplateau on the isotherm. The intensity of the GISAXS correlation peak is set by the amount of DMF within the monolayer as it vanishes when all DMF molecules are expelled. This result emphizes the role of the solvent in Langmuir monolayer formed by amphiphilic copolymers which hydrophobic and hydrophilic parts are composed by long polymer chains.

  9. Micropipette Technique Study of Natural and Synthetic Lung Surfactants at the Air-Water Interface: Presence of a SP-B Analog Peptide Promotes Membrane Aggregation, Formation of Tightly Stacked Lamellae, and Growth of Myelin Figures.

    Science.gov (United States)

    Parra, Elisa; Kinoshita, Koji; Needham, David

    2016-10-03

    The present study is a microscopic interfacial characterization of a series of lung surfactant materials performed with the micropipette technique. The advantages of this technique include the measurement of equilibrium and dynamic surface tensions while acquiring structural and dynamic information at microscopic air-water interfaces in real time and upon compression. Here, we characterized a series of animal-derived and synthetic lung surfactant formulations, including native surfactant obtained from porcine lungs (NS); the commercial Curosurf, Infasurf, and Survanta; and a synthetic Super Mini-B (SMB)-containing formulation. It was observed that the presence of the natural hydrophobic proteins and, more strikingly, the peptide SMB, promoted vesicle condensation as thick membrane stacks beneath the interface. Only in the presence of SMB, these stacks underwent spontaneous structural transformations, consisting of the nucleation and growth of microtubes and in some cases their subsequent coiling into helices. The dimensions of these tubes (2-15 μm diameter) and their linear (2-3 μm/s) and volumetric growth rates (20-30 μm(3)/s) were quantified, and no specific effects were found on them for increasing SMB concentrations from 0.1 to 4%. Nevertheless, a direct correlation between the number of tubes and SMB contents was found, suggesting that SMB molecules are the promoters of tube nucleation in these membranes. A detailed analysis of the tube formation process was performed following previous models for the growth of myelin figures, proposing a combined mechanism between dehydration-rehydration of the lipid bilayers and induction of mechanical defects by SMB that would act as nucleation sites for the tubes. The formation of tubes was also observed in Infasurf, and in NS only after subsequent expansion and compression but neither in the other clinical surfactants nor in protein-free preparations. Finally, the connection between this data and the observations from

  10. Stereoselective synthesis of (2S,3S,4Z-4-fluoro-1,3-dihydroxy-2-(octadecanoylaminooctadec-4-ene, [(Z-4-fluoroceramide], and its phase behavior at the air/water interface

    Directory of Open Access Journals (Sweden)

    2008-04-01

    for natural ceramide.ConclusionsAsymmetric aldol reaction proved to be successful for the preparation of enantiopure 4-fluoroceramide. Surface/pressure isotherms and hysteresis curves of ceramide and its 4-fluoro derivative showed that the presence of fluorine leads to stronger intermolecular interactions between the hydrophobic chains of neighboring molecules, and therefore to increasing stability of the monolayer of 4-fluoroceramide at the air water interface.

  11. Predicting where small molecules bind at protein-protein interfaces.

    Directory of Open Access Journals (Sweden)

    Peter Walter

    Full Text Available Small molecules that bind at protein-protein interfaces may either block or stabilize protein-protein interactions in cells. Thus, some of these binding interfaces may turn into prospective targets for drug design. Here, we collected 175 pairs of protein-protein (PP complexes and protein-ligand (PL complexes with known three-dimensional structures for which (1 one protein from the PP complex shares at least 40% sequence identity with the protein from the PL complex, and (2 the interface regions of these proteins overlap at least partially with each other. We found that those residues of the interfaces that may bind the other protein as well as the small molecule are evolutionary more conserved on average, have a higher tendency of being located in pockets and expose a smaller fraction of their surface area to the solvent than the remaining protein-protein interface region. Based on these findings we derived a statistical classifier that predicts patches at binding interfaces that have a higher tendency to bind small molecules. We applied this new prediction method to more than 10,000 interfaces from the protein data bank. For several complexes related to apoptosis the predicted binding patches were in direct contact to co-crystallized small molecules.

  12. 表面活性素单分子膜在空气/水界面的迟滞现象%Hysteresis Behavior of Surfactin Monolayer at the Air/Water Interface

    Institute of Scientific and Technical Information of China (English)

    杨莹; 宋昌盛; 叶汝强; 牟伯中

    2011-01-01

    Surfactin,one of the most surface-active microbial lipopeptides,can readily form an insoluble monolayer at the air/water interface.Consecutive compression-expansion cycles of surfactin with a β-hydroxyl fatty acid chain consisting of 14 carbon atoms were studied by a Langmuir film balance.A larger hysteresis loop was observed when the compression isotherm reached a plateau compared with that expanded at a lower surface pressure (20 mN· m-1).The 2nd cycle was shifted towards smaller molecular areas compared with the 1st cycle.We also studied the hysteresis cycles of the surfactin monolayer on subphase of different pH values.With a decrease in the subphase pH the hysteresis loop became smaller and the expansion isotherm curve underwent a longer pseudo plateau.Furthermore,the morphologies of the surfactin monolayers in the plateau region,which were transferred onto a mica surface,were characterized by atomic force microscopy (AFM) and scanning electron microscopy (SEM).Both AFM and SEM images gave three-dimensional surface aggregates with heights ranging from tens to hundreds of nanometers.The above results suggest that the formation of three-dimensional surface aggregates at the plateau region induces a large hysteresis loop in the surfactin monolayer,which can also be attributed to the submergence of molecules into the subphase when the peptide loop in the surfactin molecule is ionized.%表面活性素是一类具有较强表面活性的微生物脂肽类化合物,能在空气/水界面形成不溶性单分子膜.利用Langmuir膜天平测定了表面活性素单分子膜的压缩-扩张循环曲线,发现单分子膜在经历了“平台区”后出现较大的迟滞环,迟滞环的形状与亚相pH有关.将“平台区”的单分子膜转移到云母表面后,用原子力显微镜(AFM)和扫描电子显微镜(SEM)均观察到高度达几十至数百纳米的表面聚集体,说明表面活性素在单分子膜的“平台区”伴随着自聚集.研究结果

  13. Predicting nucleic acid binding interfaces from structural models of proteins.

    Science.gov (United States)

    Dror, Iris; Shazman, Shula; Mukherjee, Srayanta; Zhang, Yang; Glaser, Fabian; Mandel-Gutfreund, Yael

    2012-02-01

    The function of DNA- and RNA-binding proteins can be inferred from the characterization and accurate prediction of their binding interfaces. However, the main pitfall of various structure-based methods for predicting nucleic acid binding function is that they are all limited to a relatively small number of proteins for which high-resolution three-dimensional structures are available. In this study, we developed a pipeline for extracting functional electrostatic patches from surfaces of protein structural models, obtained using the I-TASSER protein structure predictor. The largest positive patches are extracted from the protein surface using the patchfinder algorithm. We show that functional electrostatic patches extracted from an ensemble of structural models highly overlap the patches extracted from high-resolution structures. Furthermore, by testing our pipeline on a set of 55 known nucleic acid binding proteins for which I-TASSER produces high-quality models, we show that the method accurately identifies the nucleic acids binding interface on structural models of proteins. Employing a combined patch approach we show that patches extracted from an ensemble of models better predicts the real nucleic acid binding interfaces compared with patches extracted from independent models. Overall, these results suggest that combining information from a collection of low-resolution structural models could be a valuable approach for functional annotation. We suggest that our method will be further applicable for predicting other functional surfaces of proteins with unknown structure. Copyright © 2011 Wiley Periodicals, Inc.

  14. Uncertainty of the global oceanic CO2 exchange at the air-water interface induced by the choice of the gas exchange velocity formulation and the wind product: quantification and spatial analysis

    Science.gov (United States)

    Roobaert, Alizee; Laruelle, Goulven; Landschützer, Peter; Regnier, Pierre

    2017-04-01

    In lakes, rivers, estuaries and the ocean, the quantification of air-water CO2 exchange (FCO2) is still characterized by large uncertainties partly due to the lack of agreement over the parameterization of the gas exchange velocity (k). Although the ocean is generally regarded as the best constrained system because k is only controlled by the wind speed, numerous formulations are still currently used, leading to potentially large differences in FCO2. Here, a quantitative global spatial analysis of FCO2 is presented using several k-wind speed formulations in order to compare the effect of the choice of parameterization of k on FCO2. This analysis is performed at a 1 degree resolution using a sea surface pCO2 product generated using a two-step artificial neuronal network by Landschützer et al. (2015) over the 1991-2011 period. Four different global wind speed datasets (CCMP, ERA, NCEP 1 and NCEP 2) are also used to assess the effect of the choice of one wind speed product over the other when calculating the global and regional oceanic FCO2. Results indicate that this choice of wind speed product only leads to small discrepancies globally (6 %) except with NCEP 2 which produces a more intense global FCO2 compared to the other wind products. Regionally, theses differences are even more pronounced. For a given wind speed product, the choice of parametrization of k yields global FCO2 differences ranging from 7 % to 16 % depending on the wind product used. We also provide latitudinal profiles of FCO2 and its uncertainty calculated combining all combinations between the different k-relationships and the four wind speed products. Wind speeds >14 m s-1, which only account for 7 % of all observations, contributes disproportionately to the global oceanic FCO2 and, for this range of wind speeds, the uncertainty induced by the choice of formulation for k is maximum ( 50 %).

  15. A criterion for the onset of slugging in horizontal stratified air-water countercurrent flow

    Energy Technology Data Exchange (ETDEWEB)

    Chun, Moon-Hyun; Lee, Byung-Ryung; Kim, Yang-Seok [Korea Advanced Institute of Science and Technology, Taejon (Korea, Republic of)] [and others

    1995-09-01

    This paper presents an experimental and theoretical investigation of wave height and transition criterion from wavy to slug flow in horizontal air-water countercurrent stratified flow conditions. A theoretical formula for the wave height in a stratified wavy flow regime has been developed using the concept of total energy balance over a wave crest to consider the shear stress acting on the interface of two fluids. From the limiting condition of the formula for the wave height, a necessary criterion for transition from a stratified wavy flow to a slug flow has been derived. A series of experiments have been conducted changing the non-dimensional water depth and the flow rates of air in a horizontal pipe and a duct. Comparisons between the measured data and the predictions of the present theory show that the agreement is within {plus_minus}8%.

  16. Optimized Algorithms for Prediction within Robotic Tele-Operative Interfaces

    Science.gov (United States)

    Martin, Rodney A.; Wheeler, Kevin R.; SunSpiral, Vytas; Allan, Mark B.

    2006-01-01

    Robonaut, the humanoid robot developed at the Dexterous Robotics Laboratory at NASA Johnson Space Center serves as a testbed for human-robot collaboration research and development efforts. One of the primary efforts investigates how adjustable autonomy can provide for a safe and more effective completion of manipulation-based tasks. A predictive algorithm developed in previous work was deployed as part of a software interface that can be used for long-distance tele-operation. In this paper we provide the details of this algorithm, how to improve upon the methods via optimization, and also present viable alternatives to the original algorithmic approach. We show that all of the algorithms presented can be optimized to meet the specifications of the metrics shown as being useful for measuring the performance of the predictive methods. Judicious feature selection also plays a significant role in the conclusions drawn.

  17. Surface Mechanical and Rheological Behaviors of Biocompatible Poly((D,L-lactic acid-ran-glycolic acid)-block-ethylene glycol) (PLGA-PEG) and Poly((D,L-lactic acid-ran-glycolic acid-ran-ε-caprolactone)-block-ethylene glycol) (PLGACL-PEG) Block Copolymers at the Air-Water Interface.

    Science.gov (United States)

    Kim, Hyun Chang; Lee, Hoyoung; Khetan, Jawahar; Won, You-Yeon

    2015-12-29

    Air-water interfacial monolayers of poly((D,L-lactic acid-ran-glycolic acid)-block-ethylene glycol) (PLGA-PEG) exhibit an exponential increase in surface pressure under high monolayer compression. In order to understand the molecular origin of this behavior, a combined experimental and theoretical investigation (including surface pressure-area isotherm, X-ray reflectivity (XR) and interfacial rheological measurements, and a self-consistent field (SCF) theoretical analysis) was performed on air-water monolayers formed by a PLGA-PEG diblock copolymer and also by a nonglassy analogue of this diblock copolymer, poly((D,L-lactic acid-ran-glycolic acid-ran-caprolactone)-block-ethylene glycol) (PLGACL-PEG). The combined results of this study show that the two mechanisms, i.e., the glass transition of the collapsed PLGA film and the lateral repulsion of the PEG brush chains that occur simultaneously under lateral compression of the monolayer, are both responsible for the observed PLGA-PEG isotherm behavior. Upon cessation of compression, the high surface pressure of the PLGA-PEG monolayer typically relaxes over time with a stretched exponential decay, suggesting that in this diblock copolymer situation, the hydrophobic domain formed by the PLGA blocks undergoes glass transition in the high lateral compression state, analogously to the PLGA homopolymer monolayer. In the high PEG grafting density regime, the contribution of the PEG brush chains to the high monolayer surface pressure is significantly lower than what is predicted by the SCF model because of the many-body attraction among PEG segments (referred to in the literature as the "n-cluster" effects). The end-grafted PEG chains were found to be protein resistant even under the influence of the "n-cluster" effects.

  18. Micrometeorological Measurement of Fetch- and Atmospheric Stability-Dependent Air- Water Exchange of Legacy Semivolatile Organic Contaminants in Lake Superior

    Science.gov (United States)

    Perlinger, J. A.; Tobias, D. E.; Rowe, M. D.

    2008-12-01

    Coastal waters including the Laurentian Great Lakes are particularly susceptible to local, regional, and long- range transport and deposition of semivolatile organic contaminants (SOCs) as gases and/or associated with particles. Recently-marketed SOCs can be expected to undergo net deposition in surface waters, whereas legacy SOCs such as polychlorinated biphenyls (PCBs) are likely to be at equilibrium with respect to air-water exchange, or, if atmospheric concentrations decrease through, e.g., policy implementation, to undergo net gas emission. SOC air-water exchange flux is usually estimated using the two-film model. This model describes molecular diffusion through the air and water films adjacent to the air-water interface. Air-water exchange flux is estimated as the product of SOC fugacity, typically based on on-shore gaseous concentration measurements, and a transfer coefficient, the latter which is estimated from SOC properties and environmental conditions. The transfer coefficient formulation commonly applied neglects resistance to exchange in the internal boundary layer under atmospherically stable conditions, and the use of on-shore gaseous concentration neglects fetch-dependent equilibration, both of which will tend to cause overestimation of flux magnitude. Thus, for legacy chemicals or in any highly contaminated surface water, the rate at which the water is cleansed through gas emission tends to be over-predicted using this approach. Micrometeorological measurement of air-water exchange rates of legacy SOCs was carried out on ships during four transect experiments during off-shore flow in Lake Superior using novel multicapillary collection devices and thermal extraction technology to measure parts-per-quadrillion SOC levels. Employing sensible heat in the modified Bowen ratio, fluxes at three over-water stations along the transects were measured, along with up-wind, onshore gaseous concentration and aqueous concentration. The atmosphere was unstable for

  19. GIXD from purple membrane at the air/water interface

    DEFF Research Database (Denmark)

    Verclas, S.A.W.; Howes, P.B.; Kjær, K.

    1998-01-01

    Thermal composition fluctuations in three diblock copolymers were studied with SANS as a function of temperature and pressure (0.1-200 MPa). In all cases the phase diagram shows an unusual shape insofar as with increasing pressure the order disorder temperature T(ODT) first decreases and then inc...

  20. Protein/polysaccharide complexes at air/water interfaces

    NARCIS (Netherlands)

    Ganzevles, R.A.

    2007-01-01

    KEYWORDS:protein, polysaccharide,«

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  1. How proteins get in touch: interface prediction in the study of biomolecular complexes

    OpenAIRE

    de Vries, S.J.; Bonvin, A.M.J.J.

    2008-01-01

    Protein-protein interface prediction is a booming field, with a substantial growth in the number of new methods being published the last two years. The increasing number of available three-dimensional structures of protein-protein complexes has enabled large-scale statistical analyses of protein interfaces, considering evolutionary, physicochemical and structural properties. Successful combinations of these properties have led to more accurate interface predictors in recent years. In addition...

  2. HomPPI: a class of sequence homology based protein-protein interface prediction methods

    Directory of Open Access Journals (Sweden)

    Dobbs Drena

    2011-06-01

    Full Text Available Abstract Background Although homology-based methods are among the most widely used methods for predicting the structure and function of proteins, the question as to whether interface sequence conservation can be effectively exploited in predicting protein-protein interfaces has been a subject of debate. Results We studied more than 300,000 pair-wise alignments of protein sequences from structurally characterized protein complexes, including both obligate and transient complexes. We identified sequence similarity criteria required for accurate homology-based inference of interface residues in a query protein sequence. Based on these analyses, we developed HomPPI, a class of sequence homology-based methods for predicting protein-protein interface residues. We present two variants of HomPPI: (i NPS-HomPPI (Non partner-specific HomPPI, which can be used to predict interface residues of a query protein in the absence of knowledge of the interaction partner; and (ii PS-HomPPI (Partner-specific HomPPI, which can be used to predict the interface residues of a query protein with a specific target protein. Our experiments on a benchmark dataset of obligate homodimeric complexes show that NPS-HomPPI can reliably predict protein-protein interface residues in a given protein, with an average correlation coefficient (CC of 0.76, sensitivity of 0.83, and specificity of 0.78, when sequence homologs of the query protein can be reliably identified. NPS-HomPPI also reliably predicts the interface residues of intrinsically disordered proteins. Our experiments suggest that NPS-HomPPI is competitive with several state-of-the-art interface prediction servers including those that exploit the structure of the query proteins. The partner-specific classifier, PS-HomPPI can, on a large dataset of transient complexes, predict the interface residues of a query protein with a specific target, with a CC of 0.65, sensitivity of 0.69, and specificity of 0.70, when homologs of

  3. Air-water flow in subsurface systems

    Science.gov (United States)

    Hansen, A.; Mishra, P.

    2013-12-01

    Groundwater traces its roots to tackle challenges of safe and reliable drinking water and food production. When the groundwater level rises, air pressure in the unsaturated Vadose zone increases, forcing air to escape from the ground surface. Abnormally high and low subsurface air pressure can be generated when the groundwater system, rainfall, and sea level fluctuation are favorably combined [Jiao and Li, 2004]. Through this process, contamination in the form of volatile gases may diffuse from the ground surface into residential areas, or possibly move into groundwater from industrial waste sites. It is therefore crucial to understand the combined effects of air-water flow in groundwater system. Here we investigate theoretically and experimentally the effects of air and water flow in groundwater system.

  4. Interfacial air/water proton conduction from long distances by sulfolobus solfataricus archaeal bolaform lipids.

    Science.gov (United States)

    Vilalta, I; Gliozzi, A; Prats, M

    1996-08-15

    The stability, structural organization, and the ability to transfer protons long distances have been investigated in monolayers formed from archael bolaform lipids at the air/water interface. The lipids employed were the fractions GroR2Gro (R represents an acyl group with variable chain length typically consisting of 0-4 cyclopentane rings and 40 isoprenoid residues) and GroR2GroNon-Ol (Non-ol represents nonitol) extracted from Sulfolobus solfataricus by hydrolysis of the cytoplasmic membrane. GroR2-GroNon-ol films exhibit a very peculiar behaviour: the monolayer surface pressure increases with time, regardless of its low or high initial value. This finding is related to the possibility of GroR2GroNon-ol molecules to assume an upright (a metastable) or a U-shaped (stable) configuration. In the gaseous state and in the collapsed state of the film, no lateral proton conduction was observed. However, in the pressure range 0 < pi < 25 mN/m for GroR2Gro and 0 < pi < 30 mN/m for GroR2GroNon-ol monolayers, a lateral proton conduction at the air/water interface was observed. The structural organization of these bipolar lipids at the air/water interface can be related to the lateral proton conduction; it is possible to conclude that whatever configuration these lipids may adopt, they are able to structure the air/water interface in a hydrogen bond network that supports lateral proton conduction. This process may be ascribed to a percolation phenomenon occurring when the polar lipid head groups form a structured lattice of hydrogen bonds.

  5. How proteins get in touch: interface prediction in the study of biomolecular complexes.

    Science.gov (United States)

    de Vries, Sjoerd J; Bonvin, Alexandre M J J

    2008-08-01

    Protein-protein interface prediction is a booming field, with a substantial growth in the number of new methods being published the last two years. The increasing number of available three-dimensional structures of protein-protein complexes has enabled large-scale statistical analyses of protein interfaces, considering evolutionary, physicochemical and structural properties. Successful combinations of these properties have led to more accurate interface predictors in recent years. In addition to parametric combination, machine learning algorithms have become popular. In the meantime, assessing the absolute and relative performance of interface predictors remains very difficult: This is due to differences in both the output of the various interface predictors, and in the evaluation criteria used by their respective authors. This review provides an overview of the state of the art in the field, and discusses the performance of existing interface predictors. The focus is mainly on protein-protein interface prediction, although most issues are also valid for other kinds of interface prediction.

  6. A Numerical Formula for General Prediction of Interface Bonding between Alumina and Aluminum-Containing Alloys

    Directory of Open Access Journals (Sweden)

    Michiko Yoshitake

    2014-01-01

    Full Text Available Interface termination between alumina and aluminum-containing alloys is discussed from a viewpoint of thermodynamics by extending the authors’ previous discussion on the interface termination between alumina and pure metal. A numerical formula to predict interface bonding at alumina-aluminum-containing alloys is proposed. The effectiveness of the formula is examined by extracting information on interface termination from experimental results and first-principle calculations in references. It is revealed that the prediction by the formula agrees quite well with the results reported in the references. According to the formula, a terminating species can be switched from oxygen to aluminum, which had been actually demonstrated experimentally. The formula uses only basic quantities of pure elements and the formation enthalpy of oxides. Therefore it can be applied for most of aluminum-containing alloys in the periodic table and is useful for material screening in developing interfaces with particular functions.

  7. Interface

    DEFF Research Database (Denmark)

    Computerens interface eller grænseflade har spredt sig overalt. Mobiltelefoner, spilkonsoller, pc'er og storskærme indeholder computere – men computere indbygges også i tøj og andre hverdagslige genstande, så vi konstant har adgang til digitale data. Interface retter fokus mod, hvordan den digita...

  8. Quantitative prediction of the position and orientation for an octahedral nanoparticle at liquid/liquid interfaces.

    Science.gov (United States)

    Shi, Wenxiong; Lee, Yih Hong; Ling, Xing Yi; Li, Shuzhou

    2017-08-10

    Shape-controlled polyhedral particles and their assembled structures have important applications in plasmonics and biosensing, but the interfacial configurations that will critically determine their resultant assembled structures are not well-understood. Hence, a reliable theory is desirable to predict the position and orientation of a polyhedron at the vicinity of a liquid/liquid interface. Here we demonstrate that the free energy change theory can quantitatively predict the position and orientation of an isolated octahedral nanoparticle at a liquid/liquid interface, whose vertices and facets can play crucial roles in biosensing. We focus on two limiting orientations of an octahedral nanoparticle, vertex up and facet up. Our proposed theory indicates that the surface wettability (hydrophilic/hydrophobic ratio) of the nanoparticle determines its most stable position and the preferred orientation at a water/oil interface. The surface wettability of an octahedron is adjusted from extremely hydrophobic to extremely hydrophilic by changing the amount of charge on the Ag surface in molecular dynamics (MD) simulations. The MD simulations results are in excellent agreement with our theoretical prediction for an Ag octahedral nanoparticle at a hexane/water interface. Our proposed theory bridges the gap between molecular-level simulations and equilibrium configurations of polyhedral nanoparticles in experiments, where insights from nanoparticle intrinsic wettability details can be used to predict macroscopic superlattice formation experimentally. This work advances our ability to precisely predict the final structures of the polyhedral nanoparticle assemblies at a liquid/liquid interface.

  9. Interface

    DEFF Research Database (Denmark)

    Computerens interface eller grænseflade har spredt sig overalt. Mobiltelefoner, spilkonsoller, pc'er og storskærme indeholder computere – men computere indbygges også i tøj og andre hverdagslige genstande, så vi konstant har adgang til digitale data. Interface retter fokus mod, hvordan den digitale...... kunst og kultur skabes, spredes og opleves igennem interfaces. Forfatterne undersøger og diskuterer interfacets æstetik, ideologi og kultur – og analyserer aktuel interfacekunst på tværs af musik, kunst, litteratur og film. Bogen belyser interfacets oprindelse i den kolde krigs laboratorier og dets...

  10. FastRNABindR: Fast and Accurate Prediction of Protein-RNA Interface Residues.

    Directory of Open Access Journals (Sweden)

    Yasser El-Manzalawy

    Full Text Available A wide range of biological processes, including regulation of gene expression, protein synthesis, and replication and assembly of many viruses are mediated by RNA-protein interactions. However, experimental determination of the structures of protein-RNA complexes is expensive and technically challenging. Hence, a number of computational tools have been developed for predicting protein-RNA interfaces. Some of the state-of-the-art protein-RNA interface predictors rely on position-specific scoring matrix (PSSM-based encoding of the protein sequences. The computational efforts needed for generating PSSMs severely limits the practical utility of protein-RNA interface prediction servers. In this work, we experiment with two approaches, random sampling and sequence similarity reduction, for extracting a representative reference database of protein sequences from more than 50 million protein sequences in UniRef100. Our results suggest that random sampled databases produce better PSSM profiles (in terms of the number of hits used to generate the profile and the distance of the generated profile to the corresponding profile generated using the entire UniRef100 data as well as the accuracy of the machine learning classifier trained using these profiles. Based on our results, we developed FastRNABindR, an improved version of RNABindR for predicting protein-RNA interface residues using PSSM profiles generated using 1% of the UniRef100 sequences sampled uniformly at random. To the best of our knowledge, FastRNABindR is the only protein-RNA interface residue prediction online server that requires generation of PSSM profiles for query sequences and accepts hundreds of protein sequences per submission. Our approach for determining the optimal BLAST database for a protein-RNA interface residue classification task has the potential of substantially speeding up, and hence increasing the practical utility of, other amino acid sequence based predictors of protein

  11. How proteins get in touch: interface prediction in the study of biomolecular complexes

    NARCIS (Netherlands)

    de Vries, S.J.|info:eu-repo/dai/nl/304837717; Bonvin, A.M.J.J.|info:eu-repo/dai/nl/113691238

    2008-01-01

    Protein-protein interface prediction is a booming field, with a substantial growth in the number of new methods being published the last two years. The increasing number of available three-dimensional structures of protein-protein complexes has enabled large-scale statistical analyses of protein

  12. A model for discrimination and prediction of mental workload of aircraft cockpit display interface

    Directory of Open Access Journals (Sweden)

    Wei Zongmin

    2014-10-01

    Full Text Available With respect to the ergonomic evaluation and optimization in the mental task design of the aircraft cockpit display interface, the experimental measurement and theoretical modeling of mental workload were carried out under flight simulation task conditions using the performance evaluation, subjective evaluation and physiological measurement methods. The experimental results show that with an increased mental workload, the detection accuracy of flight operation significantly reduced and the reaction time was significantly prolonged; the standard deviation of R-R intervals (SDNN significantly decreased, while the mean heart rate exhibited little change; the score of NASA_TLX scale significantly increased. On this basis, the indexes sensitive to mental workload were screened, and an integrated model for the discrimination and prediction of mental workload of aircraft cockpit display interface was established based on the Bayesian Fisher discrimination and classification method. The original validation and cross-validation methods were employed to test the accuracy of the results of discrimination and prediction of the integrated model, and the average prediction accuracies determined by these two methods are both higher than 85%. Meanwhile, the integrated model shows a higher accuracy in discrimination and prediction of mental workload compared with single indexes. The model proposed in this paper exhibits a satisfactory coincidence with the measured data and could accurately reflect the variation characteristics of the mental workload of aircraft cockpit display interface, thus providing a basis for the ergonomic evaluation and optimization design of the aircraft cockpit display interface in the future.

  13. A model for discrimination and prediction of mental workload of aircraft cockpit display interface

    Institute of Scientific and Technical Information of China (English)

    Wei Zongmin; Zhuang Damin; Wanyan Xiaoru; Liu Chen; Zhuang Huan

    2014-01-01

    With respect to the ergonomic evaluation and optimization in the mental task design of the aircraft cockpit display interface, the experimental measurement and theoretical modeling of mental workload were carried out under flight simulation task conditions using the performance evaluation, subjective evaluation and physiological measurement methods. The experimental results show that with an increased mental workload, the detection accuracy of flight operation signifi-cantly reduced and the reaction time was significantly prolonged; the standard deviation of R-R intervals (SDNN) significantly decreased, while the mean heart rate exhibited little change;the score of NASA_TLX scale significantly increased. On this basis, the indexes sensitive to mental workload were screened, and an integrated model for the discrimination and prediction of mental workload of aircraft cockpit display interface was established based on the Bayesian Fisher discrimination and classification method. The original validation and cross-validation methods were employed to test the accuracy of the results of discrimination and prediction of the integrated model, and the average prediction accuracies determined by these two methods are both higher than 85%. Meanwhile, the integrated model shows a higher accuracy in discrimination and prediction of mental workload compared with single indexes. The model proposed in this paper exhibits a satisfactory coincidence with the measured data and could accurately reflect the variation characteristics of the mental work-load of aircraft cockpit display interface, thus providing a basis for the ergonomic evaluation and optimization design of the aircraft cockpit display interface in the future.

  14. Multi-Robot Interfaces and Operator Situational Awareness: Study of the Impact of Immersion and Prediction

    Directory of Open Access Journals (Sweden)

    Juan Jesús Roldán

    2017-07-01

    Full Text Available Multi-robot missions are a challenge for operators in terms of workload and situational awareness. These operators have to receive data from the robots, extract information, understand the situation properly, make decisions, generate the adequate commands, and send them to the robots. The consequences of excessive workload and lack of awareness can vary from inefficiencies to accidents. This work focuses on the study of future operator interfaces of multi-robot systems, taking into account relevant issues such as multimodal interactions, immersive devices, predictive capabilities and adaptive displays. Specifically, four interfaces have been designed and developed: a conventional, a predictive conventional, a virtual reality and a predictive virtual reality interface. The four interfaces have been validated by the performance of twenty-four operators that supervised eight multi-robot missions of fire surveillance and extinguishing. The results of the workload and situational awareness tests show that virtual reality improves the situational awareness without increasing the workload of operators, whereas the effects of predictive components are not significant and depend on their implementation.

  15. Multi-Robot Interfaces and Operator Situational Awareness: Study of the Impact of Immersion and Prediction

    Science.gov (United States)

    Peña-Tapia, Elena; Martín-Barrio, Andrés; Olivares-Méndez, Miguel A.

    2017-01-01

    Multi-robot missions are a challenge for operators in terms of workload and situational awareness. These operators have to receive data from the robots, extract information, understand the situation properly, make decisions, generate the adequate commands, and send them to the robots. The consequences of excessive workload and lack of awareness can vary from inefficiencies to accidents. This work focuses on the study of future operator interfaces of multi-robot systems, taking into account relevant issues such as multimodal interactions, immersive devices, predictive capabilities and adaptive displays. Specifically, four interfaces have been designed and developed: a conventional, a predictive conventional, a virtual reality and a predictive virtual reality interface. The four interfaces have been validated by the performance of twenty-four operators that supervised eight multi-robot missions of fire surveillance and extinguishing. The results of the workload and situational awareness tests show that virtual reality improves the situational awareness without increasing the workload of operators, whereas the effects of predictive components are not significant and depend on their implementation. PMID:28749407

  16. Clinical use of interface pressure to predict pressure ulcer development: A systematic review

    NARCIS (Netherlands)

    Reenalda, Jasper; Jannink, M.J.A.; Nederhand, Marcus Johannes; IJzerman, Maarten Joost

    2009-01-01

    Pressure ulcers are a large problem in subjects who use a wheelchair for their mobility. These ulcers originate beneath the bony prominences of the pelvis and progress outward as a consequence of prolonged pressure. Interface pressure is used clinically to predict and prevent pressure ulcers.

  17. interfaces

    Directory of Open Access Journals (Sweden)

    Dipayan Sanyal

    2005-01-01

    macroscopic conservation equations with an order parameter which can account for the solid, liquid, and the mushy zones with the help of a phase function defined on the basis of the liquid fraction, the Gibbs relation, and the phase diagram with local approximations. Using the above formalism for alloy solidification, the width of the diffuse interface (mushy zone was computed rather accurately for iron-carbon and ammonium chloride-water binary alloys and validated against experimental data from literature.

  18. A comparison of molecular dynamics and diffuse interface model predictions of Lennard-Jones fluid evaporation

    Energy Technology Data Exchange (ETDEWEB)

    Barbante, Paolo [Dipartimento di Matematica, Politecnico di Milano - Piazza Leonardo da Vinci 32 - 20133 Milano (Italy); Frezzotti, Aldo; Gibelli, Livio [Dipartimento di Scienze e Tecnologie Aerospaziali, Politecnico di Milano - Via La Masa 34 - 20156 Milano (Italy)

    2014-12-09

    The unsteady evaporation of a thin planar liquid film is studied by molecular dynamics simulations of Lennard-Jones fluid. The obtained results are compared with the predictions of a diffuse interface model in which capillary Korteweg contributions are added to hydrodynamic equations, in order to obtain a unified description of the liquid bulk, liquid-vapor interface and vapor region. Particular care has been taken in constructing a diffuse interface model matching the thermodynamic and transport properties of the Lennard-Jones fluid. The comparison of diffuse interface model and molecular dynamics results shows that, although good agreement is obtained in equilibrium conditions, remarkable deviations of diffuse interface model predictions from the reference molecular dynamics results are observed in the simulation of liquid film evaporation. It is also observed that molecular dynamics results are in good agreement with preliminary results obtained from a composite model which describes the liquid film by a standard hydrodynamic model and the vapor by the Boltzmann equation. The two mathematical model models are connected by kinetic boundary conditions assuming unit evaporation coefficient.

  19. Interface modeling to predict well casing damage for big hill strategic petroleum reserve.

    Energy Technology Data Exchange (ETDEWEB)

    Ehgartner, Brian L.; Park, Byoung Yoon

    2012-02-01

    Oil leaks were found in well casings of Caverns 105 and 109 at the Big Hill Strategic Petroleum Reserve site. According to the field observations, two instances of casing damage occurred at the depth of the interface between the caprock and top of salt. This damage could be caused by interface movement induced by cavern volume closure due to salt creep. A three dimensional finite element model, which allows each cavern to be configured individually, was constructed to investigate shear and vertical displacements across each interface. The model contains interfaces between each lithology and a shear zone to examine the interface behavior in a realistic manner. This analysis results indicate that the casings of Caverns 105 and 109 failed by shear stress that exceeded shear strength due to the horizontal movement of the top of salt relative to the caprock, and tensile stress due to the downward movement of the top of salt from the caprock, respectively. The casings of Caverns 101, 110, 111 and 114, located at the far ends of the field, are predicted to be failed by shear stress in the near future. The casings of inmost Caverns 107 and 108 are predicted to be failed by tensile stress in the near future.

  20. Prediction and measurement of thermal transport across interfaces between isotropic solids and graphitic materials.

    Energy Technology Data Exchange (ETDEWEB)

    Norris, Pamela M.; Smoyer, Justin L.; Duda, John Charles.; Hopkins, Patrick E.

    2010-06-01

    Due to the high intrinsic thermal conductivity of carbon allotropes, there have been many attempts to incorporate such structures into existing thermal abatement technologies. In particular, carbon nanotubes (CNTs) and graphitic materials (i.e., graphite and graphene flakes or stacks) have garnered much interest due to the combination of both their thermal and mechanical properties. However, the introduction of these carbon-based nanostructures into thermal abatement technologies greatly increases the number of interfaces per unit length within the resulting composite systems. Consequently, thermal transport in these systems is governed as much by the interfaces between the constituent materials as it is by the materials themselves. This paper reports the behavior of phononic thermal transport across interfaces between isotropic thin films and graphite substrates. Elastic and inelastic diffusive transport models are formulated to aid in the prediction of conductance at a metal-graphite interface. The temperature dependence of the thermal conductance at Au-graphite interfaces is measured via transient thermoreflectance from 78 to 400 K. It is found that different substrate surface preparations prior to thin film deposition have a significant effect on the conductance of the interface between film and substrate.

  1. Quantum theory of interfacial tension quantitatively predicts spontaneous charging of nonpolar aqueous interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Fernández, Ariel, E-mail: ariel@afinnovation.com [Argentine Institute of Mathematics (I. A. M.), National Research Council (CONICET), Buenos Aires 1083 (Argentina); Collegium Basilea – Institute for Advanced Study, Basel CH4053 (Switzerland)

    2015-10-16

    The spontaneous negative charging of aqueous nonpolar interfaces has eluded quantitative first-principle prediction, possibly because it steadfastly challenges the classical Debye dielectric picture. In this work we show that quantitative prediction requires a substantive revision of Debye's linear dielectric ansatz to incorporate an anomalous polarization component yielding electrostatic energy stored as interfacial tension and detailed enough to account for the differences in electronic structure between water and its ionized states. The minimization of this interfacial tension is due to a quantum effect resulting in the reduction in hydrogen-bond frustration that takes place upon hydroxide ion adsorption. The quantitative predictions are validated vis-à-vis measurements of the free energy change associated with hydroxide adsorption obtained using sum-frequency vibrational spectroscopy. - Highlights: • Spontaneous charging of aqueous nonpolar interfaces challenges Debye dielectrics. • A quantum non-Debye theory of interfacial tension is developed. • The minimization of the interfacial tension promotes hydroxide ion adsorption.

  2. Prediction of interface residue based on the features of residue interaction network.

    Science.gov (United States)

    Jiao, Xiong; Ranganathan, Shoba

    2017-11-07

    Protein-protein interaction plays a crucial role in the cellular biological processes. Interface prediction can improve our understanding of the molecular mechanisms of the related processes and functions. In this work, we propose a classification method to recognize the interface residue based on the features of a weighted residue interaction network. The random forest algorithm is used for the prediction and 16 network parameters and the B-factor are acting as the element of the input feature vector. Compared with other similar work, the method is feasible and effective. The relative importance of these features also be analyzed to identify the key feature for the prediction. Some biological meaning of the important feature is explained. The results of this work can be used for the related work about the structure-function relationship analysis via a residue interaction network model. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Experiment and prediction on thermal conductivity of Al2O3/ZnO nano thin film interface structure

    Indian Academy of Sciences (India)

    Ping Yang; Liqiang Zhang; Haiying Yang; Dongjing Liu; Xialong Li

    2014-05-01

    We predict that there is a critical value of Al2O3/ZnO nano thin interface thickness based on two assumptions according to an interesting phenomenon, which the thermal conductivity (TC) trend of Al2O3/ZnO nano thin interface is consistent with that of relevant single nano thin interface when the nano thin interface thickness is > 300 nm; however, TC of Al2O3/ZnO nano thin interface is higher than that of relevant single nano thin interface when the thin films thickness is < 10 nm. This prediction may build a basis for the understanding of interface between two different oxide materials. It implies an idea for new generation of semiconductor devices manufacturing.

  4. Prediction of Solid-Liquid Interface Stability by Coupling M-S Model with CALPHAD Method

    Institute of Scientific and Technical Information of China (English)

    Ruijie ZHANG; Zhi HE; Zhongwei CHEN; Wanqi JIE

    2004-01-01

    A method to predict the solid-liquid interface stability during unidirectional solidification is developed by coupling M-S model with CALPHAD method. The method was applied to Al-0.38 Zn and Al-0.34 Si-0.14 Mg (wt pct) alloys, and the predicted results were compared with some former experimental data of the two alloys. The good agreement between the calculation results and the experimental data demonstrates the superiority of the present method to the classical one based on constant parameter assumptions.

  5. Air-water transfer of hydrogen sulfide

    DEFF Research Database (Denmark)

    Yongsiri, C.; Vollertsen, J.; Rasmussen, M. R.

    2004-01-01

    The emissions process of hydrogen sulfide was studied to quantify air–water transfer of hydrogen sulfide in sewer networks. Hydrogen sulfide transfer across the air–water interface was investigated at different turbulence levels (expressed in terms of the Froude number) and pH using batch...... experiments. By means of the overall mass–transfer coefficient (KLa), the transfer coefficient of hydrogen sulfide (KLaH2S), referring to total sulfide, was correlated to that of oxygen (KLaO2) (i.e., the reaeration coefficient). Results demonstrate that both turbulence and pH in the water phase play...... a significant role for KLaH2S. An exponential expression is a suitable representation for the relationship between KLaH2S and the Froude number at all pH values studied (4.5 to 8.0). Because of the dissociation of hydrogen sulfide, KLaH2S increased with decreasing pH at a constant turbulence level. Relative...

  6. Operating Comfort Prediction Model of Human-Machine Interface Layout for Cabin Based on GEP.

    Science.gov (United States)

    Deng, Li; Wang, Guohua; Chen, Bo

    2015-01-01

    In view of the evaluation and decision-making problem of human-machine interface layout design for cabin, the operating comfort prediction model is proposed based on GEP (Gene Expression Programming), using operating comfort to evaluate layout scheme. Through joint angles to describe operating posture of upper limb, the joint angles are taken as independent variables to establish the comfort model of operating posture. Factor analysis is adopted to decrease the variable dimension; the model's input variables are reduced from 16 joint angles to 4 comfort impact factors, and the output variable is operating comfort score. The Chinese virtual human body model is built by CATIA software, which will be used to simulate and evaluate the operators' operating comfort. With 22 groups of evaluation data as training sample and validation sample, GEP algorithm is used to obtain the best fitting function between the joint angles and the operating comfort; then, operating comfort can be predicted quantitatively. The operating comfort prediction result of human-machine interface layout of driller control room shows that operating comfort prediction model based on GEP is fast and efficient, it has good prediction effect, and it can improve the design efficiency.

  7. Motor prediction in Brain-Computer Interfaces for controlling mobile robots.

    Science.gov (United States)

    Geng, Tao; Gan, John Q

    2008-01-01

    EEG-based Brain-Computer Interface (BCI) can be regarded as a new channel for motor control except that it does not involve muscles. Normal neuromuscular motor control has two fundamental components: (1) to control the body, and (2) to predict the consequences of the control command, which is called motor prediction. In this study, after training with a specially designed BCI paradigm based on motor imagery, two subjects learnt to predict the time course of some features of the EEG signals. It is shown that, with this newly-obtained motor prediction skill, subjects can use motor imagery of feet to directly control a mobile robot to avoid obstacles and reach a small target in a time-critical scenario.

  8. Prediction of hot spots in protein interfaces using a random forest model with hybrid features.

    Science.gov (United States)

    Wang, Lin; Liu, Zhi-Ping; Zhang, Xiang-Sun; Chen, Luonan

    2012-03-01

    Prediction of hot spots in protein interfaces provides crucial information for the research on protein-protein interaction and drug design. Existing machine learning methods generally judge whether a given residue is likely to be a hot spot by extracting features only from the target residue. However, hot spots usually form a small cluster of residues which are tightly packed together at the center of protein interface. With this in mind, we present a novel method to extract hybrid features which incorporate a wide range of information of the target residue and its spatially neighboring residues, i.e. the nearest contact residue in the other face (mirror-contact residue) and the nearest contact residue in the same face (intra-contact residue). We provide a novel random forest (RF) model to effectively integrate these hybrid features for predicting hot spots in protein interfaces. Our method can achieve accuracy (ACC) of 82.4% and Matthew's correlation coefficient (MCC) of 0.482 in Alanine Scanning Energetics Database, and ACC of 77.6% and MCC of 0.429 in Binding Interface Database. In a comparison study, performance of our RF model exceeds other existing methods, such as Robetta, FOLDEF, KFC, KFC2, MINERVA and HotPoint. Of our hybrid features, three physicochemical features of target residues (mass, polarizability and isoelectric point), the relative side-chain accessible surface area and the average depth index of mirror-contact residues are found to be the main discriminative features in hot spots prediction. We also confirm that hot spots tend to form large contact surface areas between two interacting proteins. Source data and code are available at: http://www.aporc.org/doc/wiki/HotSpot.

  9. Usability and Functional Enhancements to an Online Interface for Predicting Post Fire Erosion (WEPP-PEP)

    Science.gov (United States)

    Lew, Roger; Dobre, Mariana; Elliot, William; Robichaud, Pete; Brooks, Erin; Frankenberger, Jim

    2017-04-01

    There is an increased interest in the United States to use soil burn severity maps in watershed-scale hydrologic models to estimate post-fire sediment erosion from burned areas. This information is needed by stakeholders in order to concentrate their pre- or post-fire management efforts in ecologically sensitive areas to decrease the probability of post-fire sediment delivery. But these tools traditionally have been time consuming and difficult to use by managers because input datasets must be obtained and correctly processed for valid results. The Water Erosion Prediction Project (WEPP) has previously been developed as an online and easy-to-use interface to help land managers with running simulations without any knowledge of computer programming or hydrologic modeling. The interface automates the acquisition of DEM, climate, soils, and landcover data, and also automates channel and hillslope delineation for the users. The backend is built with Mapserver, GDAL, PHP, C++, Python while the front end uses OpenLayers, and, of course, JavaScript. The existing WEPP online interface was enhanced to provide better usability to stakeholders in United States (Forest Service, BLM, USDA) as well as to provide enhanced functionality for managing both pre-fire and post-fire treatments. Previously, only site administrators could add burn severity maps. The interface now allows users to create accounts to upload and share FlamMap prediction maps, differenced Normalized Burned Ratio (dNBR), or Burned Area Reflectance Classification (BARC) maps. All maps are loaded into a sortable catalog so users can quickly find their area of interest. Once loaded, the interface has been modified to support running comparisons between baseline condition with "no burn" and with a burn severity classification map. The interface has also been enhanced to allow users to conduct single storm analyses to examine, for example, how much soil loss would result after a 100-year storm. An OpenLayers map

  10. Predicted tyre-soil interface area and vertical stress distribution based on loading characteristics

    DEFF Research Database (Denmark)

    Schjønning, Per; Stettler, M.; Keller, Thomas

    2015-01-01

    The upper boundary condition for all models simulating stress patterns throughout the soil profile is the stress distribution at the tyre–soil interface. The so-called FRIDA model (Schjønning et al., 2008. Biosyst. Eng. 99, 119–133) treats the contact area as a superellipse and has been shown...... to accurately describe a range of observed vertical stress distributions. Previous research has indicated that such distributions may be predicted from tyre and loading characteristics. The objective of this study was to establish a stepwise calculation procedure enabling accurate predictions from readily...... available data. We used multiple regression to identify equations for predicting the FRIDA model parameters from measured loading characteristics including tyre carcass volume (VT), wheel load (FW), tyre deflection (L), and an expression of tyre inflation pressure (Kr) calculated as the natural logarithm...

  11. Propagation of density disturbances in air-water flow

    Science.gov (United States)

    Nassos, G. P.

    1969-01-01

    Study investigated the behavior of density waves propagating vertically in an atmospheric pressure air-water system using a technique based on the correlation between density change and electric resistivity. This information is of interest to industries working with heat transfer systems and fluid power and control systems.

  12. Microenvironment temperature prediction between body and seat interface using autoregressive data-driven model.

    Science.gov (United States)

    Liu, Zhuofu; Wang, Lin; Luo, Zhongming; Heusch, Andrew I; Cascioli, Vincenzo; McCarthy, Peter W

    2015-11-01

    There is a need to develop a greater understanding of temperature at the skin-seat interface during prolonged seating from the perspectives of both industrial design (comfort/discomfort) and medical care (skin ulcer formation). Here we test the concept of predicting temperature at the seat surface and skin interface during prolonged sitting (such as required from wheelchair users). As caregivers are usually busy, such a method would give them warning ahead of a problem. This paper describes a data-driven model capable of predicting thermal changes and thus having the potential to provide an early warning (15- to 25-min ahead prediction) of an impending temperature that may increase the risk for potential skin damages for those subject to enforced sitting and who have little or no sensory feedback from this area. Initially, the oscillations of the original signal are suppressed using the reconstruction strategy of empirical mode decomposition (EMD). Consequentially, the autoregressive data-driven model can be used to predict future thermal trends based on a shorter period of acquisition, which reduces the possibility of introducing human errors and artefacts associated with longer duration "enforced" sitting by volunteers. In this study, the method had a maximum predictive error of <0.4 °C when used to predict the temperature at the seat and skin interface 15 min ahead, but required 45 min data prior to give this accuracy. Although the 45 min front loading of data appears large (in proportion to the 15 min prediction), a relative strength derives from the fact that the same algorithm could be used on the other 4 sitting datasets created by the same individual, suggesting that the period of 45 min required to train the algorithm is transferable to other data from the same individual. This approach might be developed (along with incorporation of other measures such as movement and humidity) into a system that can give caregivers prior warning to help avoid

  13. Crack path predictions and experiments in plane structures considering anisotropic properties and material interfaces

    Directory of Open Access Journals (Sweden)

    P.O. Judt

    2015-10-01

    Full Text Available In many engineering applications special requirements are directed to a material's fracture behavior and the prediction of crack paths. Especially if the material exhibits anisotropic elastic properties or fracture toughnesses, e.g. in textured or composite materials, the simulation of crack paths is challenging. Here, the application of path independent interaction integrals (I-integrals, J-, L- and M-integrals is beneficial for an accurate crack tip loading analysis. Numerical tools for the calculation of loading quantities using these path-invariant integrals are implemented into the commercial finite element (FE-code ABAQUS. Global approaches of the integrals are convenient considering crack tips approaching other crack faces, internal boundaries or material interfaces. Curved crack faces require special treatment with respect to integration contours. Numerical crack paths are predicted based on FE calculations of the boundary value problem in connection with an intelligent adaptive re-meshing algorithm. Considering fracture toughness anisotropy and accounting for inelastic effects due to small plastic zones in the crack tip region, the numerically predicted crack paths of different types of specimens with material interfaces and internal boundaries are compared to subcritically grown paths obtained from experiments.

  14. Soybean Yield Prediction Using Adaptive Nero-Fuzzy Interface System (ANFIS

    Directory of Open Access Journals (Sweden)

    S. J. Sajadi

    2015-09-01

    Full Text Available Productivity of rainfed crops may be predicted using the climatic parameters. Crop yield prediction has an important role in agricultural policies including determining the crop price. Well-known prediction methods are regression method and arterial neural networks. In this paper soybean yield is predicted using Adaptive Nero-Fuzzy Interface System (ANFIS and 11 years of climatic data (1998-2009 in Gonbad-e-Kavous region of Golestan province, Iran. Mean weekly rainfall, mean weekly temperature, mean weekly relative humidity and mean weekly sun shine hours were ANFIS inputs and its output was soybean grain yield (kg/ha. Stepwise Regression for Feature selection from climatic data was done with the SPSS18 software and ANFIS was created, trained and tested with MATLAB R2011a software. Trained ANFIS has ‘constant’ membership function in output layer and ‘gaussmf’ membership function in input layer. Each input has 3 membership functions and each output has one membership function. Root Mean Square Error (RMSE criterion was used to evaluate the performance of the ANFIS. The results showed that the proposed ANFIS with 21 rules has a prediction error (RMSE of 102.170.

  15. Predicting the tolerated sequences for proteins and protein interfaces using RosettaBackrub flexible backbone design.

    Directory of Open Access Journals (Sweden)

    Colin A Smith

    Full Text Available Predicting the set of sequences that are tolerated by a protein or protein interface, while maintaining a desired function, is useful for characterizing protein interaction specificity and for computationally designing sequence libraries to engineer proteins with new functions. Here we provide a general method, a detailed set of protocols, and several benchmarks and analyses for estimating tolerated sequences using flexible backbone protein design implemented in the Rosetta molecular modeling software suite. The input to the method is at least one experimentally determined three-dimensional protein structure or high-quality model. The starting structure(s are expanded or refined into a conformational ensemble using Monte Carlo simulations consisting of backrub backbone and side chain moves in Rosetta. The method then uses a combination of simulated annealing and genetic algorithm optimization methods to enrich for low-energy sequences for the individual members of the ensemble. To emphasize certain functional requirements (e.g. forming a binding interface, interactions between and within parts of the structure (e.g. domains can be reweighted in the scoring function. Results from each backbone structure are merged together to create a single estimate for the tolerated sequence space. We provide an extensive description of the protocol and its parameters, all source code, example analysis scripts and three tests applying this method to finding sequences predicted to stabilize proteins or protein interfaces. The generality of this method makes many other applications possible, for example stabilizing interactions with small molecules, DNA, or RNA. Through the use of within-domain reweighting and/or multistate design, it may also be possible to use this method to find sequences that stabilize particular protein conformations or binding interactions over others.

  16. Research on measurement-device-independent quantum key distribution based on an air-water channel

    Science.gov (United States)

    Zhou, Yuan-yuan; Zhou, Xue-jun; Xu, Hua-bin; Cheng, Kang

    2016-11-01

    A measurement-device-independent quantum key distribution (MDI-QKD) method with an air-water channel is researched. In this method, the underwater vehicle and satellite are the legitimate parties, and the third party is at the airwater interface in order to simplify the unilateral quantum channel to water or air. Considering the condition that both unilateral transmission distance and transmission loss coefficient are unequal, a perfect model of the asymmetric channel is built. The influence of asymmetric channel on system loss tolerance and secure transmission distance is analyzed. The simulation results show that with the increase of the channel's asymmetric degree, the system loss tolerance will descend, one transmission distance will be reduced while the other will be increased. When the asymmetric coefficient of channel is between 0.068 and 0.171, MDI-QKD can satisfy the demand of QKD with an air-water channel, namely the underwater transmission distance and atmospheric transmission distance are not less than 60 m and 12 km, respectively.

  17. Predicting Solvation Free Energies and Thermodynamics in Polar Solvents and Mixtures Using a Solvation-Layer Interface Condition

    CERN Document Server

    Tabrizi, Amirhossein Molavi; Rahimi, Ali Mehdizadeh; Knepley, Matthew G; Bardhan, Jaydeep P

    2016-01-01

    We demonstrate that with two small modifications, the popular dielectric continuum model is capable of predicting, with high accuracy, ion solvation thermodynamics in numerous polar solvents, and ion solvation free energies in water--co-solvent mixtures. The first modification involves perturbing the macroscopic dielectric-flux interface condition at the solute--solvent interface with a nonlinear function of the local electric field, giving what we have called a solvation-layer interface condition (SLIC). The second modification is a simple treatment of the microscopic interface potential (static potential). We show that the resulting model exhibits high accuracy without the need for fitting solute atom radii in a state-dependent fashion. Compared to experimental results in nine water--co-solvent mixtures, SLIC predicts transfer free energies to within 2.5 kJ/mol. The co-solvents include both protic and aprotic species, as well as biologically relevant denaturants such as urea and dimethylformamide. Furthermo...

  18. Prediction of auditory and visual p300 brain-computer interface aptitude.

    Directory of Open Access Journals (Sweden)

    Sebastian Halder

    Full Text Available OBJECTIVE: Brain-computer interfaces (BCIs provide a non-muscular communication channel for patients with late-stage motoneuron disease (e.g., amyotrophic lateral sclerosis (ALS or otherwise motor impaired people and are also used for motor rehabilitation in chronic stroke. Differences in the ability to use a BCI vary from person to person and from session to session. A reliable predictor of aptitude would allow for the selection of suitable BCI paradigms. For this reason, we investigated whether P300 BCI aptitude could be predicted from a short experiment with a standard auditory oddball. METHODS: Forty healthy participants performed an electroencephalography (EEG based visual and auditory P300-BCI spelling task in a single session. In addition, prior to each session an auditory oddball was presented. Features extracted from the auditory oddball were analyzed with respect to predictive power for BCI aptitude. RESULTS: Correlation between auditory oddball response and P300 BCI accuracy revealed a strong relationship between accuracy and N2 amplitude and the amplitude of a late ERP component between 400 and 600 ms. Interestingly, the P3 amplitude of the auditory oddball response was not correlated with accuracy. CONCLUSIONS: Event-related potentials recorded during a standard auditory oddball session moderately predict aptitude in an audiory and highly in a visual P300 BCI. The predictor will allow for faster paradigm selection. SIGNIFICANCE: Our method will reduce strain on patients because unsuccessful training may be avoided, provided the results can be generalized to the patient population.

  19. Predictions of hot spot residues at protein-protein interfaces using support vector machines.

    Directory of Open Access Journals (Sweden)

    Stefano Lise

    Full Text Available Protein-protein interactions are critically dependent on just a few 'hot spot' residues at the interface. Hot spots make a dominant contribution to the free energy of binding and they can disrupt the interaction if mutated to alanine. Here, we present HSPred, a support vector machine(SVM-based method to predict hot spot residues, given the structure of a complex. HSPred represents an improvement over a previously described approach (Lise et al, BMC Bioinformatics 2009, 10:365. It achieves higher accuracy by treating separately predictions involving either an arginine or a glutamic acid residue. These are the amino acid types on which the original model did not perform well. We have therefore developed two additional SVM classifiers, specifically optimised for these cases. HSPred reaches an overall precision and recall respectively of 61% and 69%, which roughly corresponds to a 10% improvement. An implementation of the described method is available as a web server at http://bioinf.cs.ucl.ac.uk/hspred. It is free to non-commercial users.

  20. Air-water gas exchange and CO2 flux in a mangrove-dominated estuary

    Science.gov (United States)

    Ho, David T.; Ferrón, Sara; Engel, Victor C.; Larsen, Laurel G.; Barr, Jordan G.

    2014-01-01

    Mangrove forests are highly productive ecosystems, but the fate of mangrove-derived carbon remains uncertain. Part of that uncertainty stems from the fact that gas transfer velocities in mangrove-surrounded waters are not well determined, leading to uncertainty in air-water CO2 fluxes. Two SF6 tracer release experiments were conducted to determine gas transfer velocities (k(600) = 8.3 ± 0.4 and 8.1 ± 0.6 cm h−1), along with simultaneous measurements of pCO2 to determine the air-water CO2 fluxes from Shark River, Florida (232.11 ± 23.69 and 171.13 ± 20.28 mmol C m−2 d−1), an estuary within the largest contiguous mangrove forest in North America. The gas transfer velocity results are consistent with turbulent kinetic energy dissipation measurements, indicating a higher rate of turbulence and gas exchange than predicted by commonly used wind speed/gas exchange parameterizations. The results have important implications for carbon fluxes in mangrove ecosystems.

  1. Air/water oxydesulfurization of coal: laboratory investigation

    Energy Technology Data Exchange (ETDEWEB)

    Warzinski, R. P.; Friedman, S.; Ruether, J. A.; LaCount, R. B.

    1980-08-01

    Air/water oxidative desulfurization has been demonstrated in autoclave experiments at the Pittsburgh Energy Technology Center for various coals representative of the major US coal basins. This experimentation has shown that the reaction proceeds effectively for pulverized coals at temperatures of 150 to 200/sup 0/C with air at a total system pressure of 500 to 1500 psig. Above 200/sup 0/C, the loss of coal and product heating value increases due to oxidative consumption of carbon and hydrogen. The pyritic sulfur solubilization reactions are typically complete (95 percent removal) within 15 to 40 minutes at temperature; however, significant apparent organic sulfur removal requires residence times of up to 60 minutes at the higher temperatures. The principal products of the reaction are sulfuric acid, which can be neutralized with limestone, and iron oxide. Under certain conditions, especially for high pyritic sulfur coals, the precipitation of sulfur-containing compounds from the products of the pyrite reaction may cause anomalous variations in the sulfur form data. The influence of various parameters on the efficiency of sulfur removal from coal by air/water oxydesulfurization has been studied.

  2. On the applicability of brain reading for predictive human-machine interfaces in robotics.

    Directory of Open Access Journals (Sweden)

    Elsa Andrea Kirchner

    Full Text Available The ability of today's robots to autonomously support humans in their daily activities is still limited. To improve this, predictive human-machine interfaces (HMIs can be applied to better support future interaction between human and machine. To infer upcoming context-based behavior relevant brain states of the human have to be detected. This is achieved by brain reading (BR, a passive approach for single trial EEG analysis that makes use of supervised machine learning (ML methods. In this work we propose that BR is able to detect concrete states of the interacting human. To support this, we show that BR detects patterns in the electroencephalogram (EEG that can be related to event-related activity in the EEG like the P300, which are indicators of concrete states or brain processes like target recognition processes. Further, we improve the robustness and applicability of BR in application-oriented scenarios by identifying and combining most relevant training data for single trial classification and by applying classifier transfer. We show that training and testing, i.e., application of the classifier, can be carried out on different classes, if the samples of both classes miss a relevant pattern. Classifier transfer is important for the usage of BR in application scenarios, where only small amounts of training examples are available. Finally, we demonstrate a dual BR application in an experimental setup that requires similar behavior as performed during the teleoperation of a robotic arm. Here, target recognition processes and movement preparation processes are detected simultaneously. In summary, our findings contribute to the development of robust and stable predictive HMIs that enable the simultaneous support of different interaction behaviors.

  3. Predictions of mixed mode interface crack growth using a cohesive zone model for ductile fracture

    DEFF Research Database (Denmark)

    Tvergaard, Viggo

    2004-01-01

    Special interface elements that account for ductile failure by the nucleation and growth of voids to coalescence are used to analyse crack growth. In these elements the stress component tangential to the interface is accounted for, as determined by the requirement of compatibility with the surrou......Special interface elements that account for ductile failure by the nucleation and growth of voids to coalescence are used to analyse crack growth. In these elements the stress component tangential to the interface is accounted for, as determined by the requirement of compatibility...... with the surrounding material in the tangential direction. Thus, the present interface description incorporates the important effect of stress triaxiality on damage evolution, which is not part of the usual cohesive zone models. The interface elements have been used previously for mode I loading conditions...... Elsevier Ltd. All rights reserved....

  4. Interfacial structure in an air-water planar bubble jet

    Science.gov (United States)

    Sun, X.; Vasavada, S.; Choi, S. W.; Kim, S.; Ishii, M.; Beus, S. G.

    2005-04-01

    The objective of the current study is to better understand the interfacial structure and its development in an air-water planar bubble jet, as well as to provide a unique benchmark data set for a 3D thermal-hydraulic analysis code. Both flow visualization and local measurements were performed in three characteristic flow conditions at four elevations along a test section with a cross section of 200 mm in width and 10 mm in gap. A high-speed digital video camera was applied in the flow visualization study to capture the flow structures and bubble interaction phenomena, while a miniaturized four-sensor conductivity probe was used to acquire the time-averaged local void fraction, interfacial velocity, and bubble number frequency. Also, the interfacial area concentration and the averaged bubble Sauter mean diameter were obtained from the local measurements. The lateral bubble transport and bubble interaction mechanisms were clearly demonstrated in the acquired data.

  5. Environmental turbulent mixing controls on air-water gas exchange in marine and aquatic systems

    Science.gov (United States)

    Zappa, Christopher J.; McGillis, Wade R.; Raymond, Peter A.; Edson, James B.; Hintsa, Eric J.; Zemmelink, Hendrik J.; Dacey, John W. H.; Ho, David T.

    2007-05-01

    Air-water gas transfer influences CO2 and other climatically important trace gas fluxes on regional and global scales, yet the magnitude of the transfer is not well known. Widely used models of gas exchange rates are based on empirical relationships linked to wind speed, even though physical processes other than wind are known to play important roles. Here the first field investigations are described supporting a new mechanistic model based on surface water turbulence that predicts gas exchange for a range of aquatic and marine processes. Findings indicate that the gas transfer rate varies linearly with the turbulent dissipation rate to the ${^1}\\!/{_4 power in a range of systems with different types of forcing - in the coastal ocean, in a macro-tidal river estuary, in a large tidal freshwater river, and in a model (i.e., artificial) ocean. These results have important implications for understanding carbon cycling.

  6. The configuration of water on rough natural surfaces: Implications for understanding air-water interfacial area, film thickness, and imaging resolution

    Science.gov (United States)

    Kibbey, Tohren C. G.

    2013-08-01

    Previous studies of air-water interfacial areas in unsaturated porous media have often distinguished between interfacial area corresponding to water held by capillary forces between grains and area corresponding to water associated with solid surfaces. The focus of this work was on developing a better understanding of the nature of interfacial area associated with solid surfaces following drainage of porous media. Stereoscopic scanning electron microscopy was used to determine surface elevation maps for eight different surfaces of varying roughness. An algorithm was developed to calculate the true configuration of an air-water interface in contact with the solid surface as a function of capillary pressure. The algorithm was used to calculate surface-associated water configurations for capillary pressures ranging from 10 to 100 cm water. The results of the work show that, following drainage, the configuration of surface-associated water is dominated by bridging of macroscopic surface roughness features over the range of capillary pressures studied, and nearly all of the surface-associated water is capillary held. As such, the thicknesses of surface-associated water were found to be orders-of-magnitude greater than might be expected at the same capillary pressures based on calculations of adsorbed film thickness. The fact that capillary forces in air-water interfaces dominate surface-associated water configuration means that interface shapes are largely unaffected by microscopic surface roughness, and interfaces are considerably smoother than the underlying solid. As such, calculations suggest that microscopic surface roughness likely has minimal impact on the accuracy of surface-associated air-water interfacial areas determined by limited-resolution imaging methods such as computed microtomography.

  7. Nonlinear Spectroscopu of Nanoparticle/Aqueous Interface

    Science.gov (United States)

    2010-10-01

    experiments at air/water interfaces have measured:polarity at a polystyrene sulfonate /water interface,acid-base equilibria at polystyrene nanoparticle...water interface. 2009, Abstracts, 238th ACS National Meeting, Washington, D.C. Polarity of polystyrene colloid/aqueous interface with second harmonic...electrostatic potential, the pH, and the acid-base equilibrium of the carboxyl (-COOH) functional group fixed at the surface of polystyrene carboxyl

  8. Wind driven vertical transport in a vegetated, wetland water column with air-water gas exchange

    Science.gov (United States)

    Poindexter, C.; Variano, E. A.

    2010-12-01

    Flow around arrays of cylinders at low and intermediate Reynolds numbers has been studied numerically, analytically and experimentally. Early results demonstrated that at flow around randomly oriented cylinders exhibits reduced turbulent length scales and reduced diffusivity when compared to similarly forced, unimpeded flows (Nepf 1999). While horizontal dispersion in flows through cylinder arrays has received considerable research attention, the case of vertical dispersion of reactive constituents has not. This case is relevant to the vertical transfer of dissolved gases in wetlands with emergent vegetation. We present results showing that the presence of vegetation can significantly enhance vertical transport, including gas transfer across the air-water interface. Specifically, we study a wind-sheared air-water interface in which randomly arrayed cylinders represent emergent vegetation. Wind is one of several processes that may govern physical dispersion of dissolved gases in wetlands. Wind represents the dominant force for gas transfer across the air-water interface in the ocean. Empirical relationships between wind and the gas transfer coefficient, k, have been used to estimate spatial variability of CO2 exchange across the worlds’ oceans. Because wetlands with emergent vegetation are different from oceans, different model of wind effects is needed. We investigated the vertical transport of dissolved oxygen in a scaled wetland model built inside a laboratory tank equipped with an open-ended wind tunnel. Plastic tubing immersed in water to a depth of approximately 40 cm represented emergent vegetation of cylindrical form such as hard-stem bulrush (Schoenoplectus acutus). After partially removing the oxygen from the tank water via reaction with sodium sulfite, we used an optical probe to measure dissolved oxygen at mid-depth as the tank water re-equilibrated with the air above. We used dissolved oxygen time-series for a range of mean wind speeds to estimate the

  9. Designing Closed-Loop Brain-Machine Interfaces Using Model Predictive Control

    Directory of Open Access Journals (Sweden)

    Gautam Kumar

    2016-06-01

    Full Text Available Brain-machine interfaces (BMIs are broadly defined as systems that establish direct communications between living brain tissue and external devices, such as artificial arms. By sensing and interpreting neuronal activities to actuate an external device, BMI-based neuroprostheses hold great promise in rehabilitating motor disabled subjects, such as amputees. In this paper, we develop a control-theoretic analysis of a BMI-based neuroprosthetic system for voluntary single joint reaching task in the absence of visual feedback. Using synthetic data obtained through the simulation of an experimentally validated psycho-physiological cortical circuit model, both the Wiener filter and the Kalman filter based linear decoders are developed. We analyze the performance of both decoders in the presence and in the absence of natural proprioceptive feedback information. By performing simulations, we show that the performance of both decoders degrades significantly in the absence of the natural proprioception. To recover the performance of these decoders, we propose two problems, namely tracking the desired position trajectory and tracking the firing rate trajectory of neurons which encode the proprioception, in the model predictive control framework to design optimal artificial sensory feedback. Our results indicate that while the position trajectory based design can only recover the position and velocity trajectories, the firing rate trajectory based design can recover the performance of the motor task along with the recovery of firing rates in other cortical regions. Finally, we extend our design by incorporating a network of spiking neurons and designing artificial sensory feedback in the form of a charged balanced biphasic stimulating current.

  10. Predicting the Effect of Mutations on Protein-Protein Binding Interactions through Structure-Based Interface Profiles.

    Science.gov (United States)

    Brender, Jeffrey R; Zhang, Yang

    2015-10-01

    The formation of protein-protein complexes is essential for proteins to perform their physiological functions in the cell. Mutations that prevent the proper formation of the correct complexes can have serious consequences for the associated cellular processes. Since experimental determination of protein-protein binding affinity remains difficult when performed on a large scale, computational methods for predicting the consequences of mutations on binding affinity are highly desirable. We show that a scoring function based on interface structure profiles collected from analogous protein-protein interactions in the PDB is a powerful predictor of protein binding affinity changes upon mutation. As a standalone feature, the differences between the interface profile score of the mutant and wild-type proteins has an accuracy equivalent to the best all-atom potentials, despite being two orders of magnitude faster once the profile has been constructed. Due to its unique sensitivity in collecting the evolutionary profiles of analogous binding interactions and the high speed of calculation, the interface profile score has additional advantages as a complementary feature to combine with physics-based potentials for improving the accuracy of composite scoring approaches. By incorporating the sequence-derived and residue-level coarse-grained potentials with the interface structure profile score, a composite model was constructed through the random forest training, which generates a Pearson correlation coefficient >0.8 between the predicted and observed binding free-energy changes upon mutation. This accuracy is comparable to, or outperforms in most cases, the current best methods, but does not require high-resolution full-atomic models of the mutant structures. The binding interface profiling approach should find useful application in human-disease mutation recognition and protein interface design studies.

  11. Predicting the pKa and stability of organic acids and bases at an oil-water interface.

    Science.gov (United States)

    Andersson, M P; Olsson, M H M; Stipp, S L S

    2014-06-10

    We have used density functional theory and the implicit solvent model, COSMO-RS, to investigate how the acidity constant, pKa, of organic acids and bases adsorbed at the organic compound-aqueous solution interface changes, compared to its value in the aqueous phase. The pKa determine the surface charge density of the molecules that accumulate at the fluid-fluid interface. We have estimated the pKa by comparing the stability of the protonated and unprotonated forms of a series of molecules in the bulk aqueous solution and at an interface where parts of each molecule reside in the hydrophobic phase and the rest remains in the hydrophilic phase. We found that the pKa for acids is shifted by ∼1 pH unit to higher values compared to the bulk water pKa, whereas they are shifted to lower values by a similar amount for bases. Because this pKa shift is similar in magnitude for each of the molecules studied, we propose that the pKa for molecules at a water-organic compound interface can easily be predicted by adding a small shift to the aqueous pKa. This shift is general and correlates with the functional group. We also found that the relative composition of molecules at the fluid-fluid interface is not the same as in the bulk. For example, species such as carboxylic acids are enriched at the interface, where they can dominate surface properties, even when they are a modest component in the bulk fluid. For high surface concentrations of carboxylic acid groups at an interface, such as a self-assembled monolayer, we have demonstrated that the pKa depends on the degree of deprotonation through direct hydrogen bonding between protonated and deprotonated acidic headgroups.

  12. Surface Mechanical and Rheological Behaviors of Biocompatible Poly((D,L-lactic acid-ran-glycolic acid)-block-ethylene glycol) (PLGA-PEG) and Poly((D,L-lactic acid-ran-glycolic acid-ran-ε-caprolactone)-block-ethylene glycol) (PLGACL-PEG) Block Copolymers at the Air-Water Interface

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyun Chang; Lee, Hoyoung; Khetan, Jawahar; Won, You-Yeon [Purdue

    2016-02-01

    Air–water interfacial monolayers of poly((d,l-lactic acid-ran-glycolic acid)-block-ethylene glycol) (PLGA–PEG) exhibit an exponential increase in surface pressure under high monolayer compression. In order to understand the molecular origin of this behavior, a combined experimental and theoretical investigation (including surface pressure–area isotherm, X-ray reflectivity (XR) and interfacial rheological measurements, and a self-consistent field (SCF) theoretical analysis) was performed on air–water monolayers formed by a PLGA–PEG diblock copolymer and also by a nonglassy analogue of this diblock copolymer, poly((d,l-lactic acid-ran-glycolic acid-ran-caprolactone)-block-ethylene glycol) (PLGACL–PEG). The combined results of this study show that the two mechanisms, i.e., the glass transition of the collapsed PLGA film and the lateral repulsion of the PEG brush chains that occur simultaneously under lateral compression of the monolayer, are both responsible for the observed PLGA–PEG isotherm behavior. Upon cessation of compression, the high surface pressure of the PLGA–PEG monolayer typically relaxes over time with a stretched exponential decay, suggesting that in this diblock copolymer situation, the hydrophobic domain formed by the PLGA blocks undergoes glass transition in the high lateral compression state, analogously to the PLGA homopolymer monolayer. In the high PEG grafting density regime, the contribution of the PEG brush chains to the high monolayer surface pressure is significantly lower than what is predicted by the SCF model because of the many-body attraction among PEG segments (referred to in the literature as the “n-cluster” effects). The end-grafted PEG chains were found to be protein resistant even under the influence of the “n-cluster” effects.

  13. Does Place Attachment Predict Wildfire Mitigation and Preparedness? A Comparison of Wildland-Urban Interface and Rural Communities.

    Science.gov (United States)

    Anton, Charis E; Lawrence, Carmen

    2016-01-01

    Wildfires are a common occurrence in many countries and are predicted to increase as we experience the effects of climate change. As more people are expected to be affected by fires, it is important to increase people's wildfire mitigation and preparation. Place attachment has been theorized to be related to mitigation and preparation. The present study examined place attachment and wildfire mitigation and preparation in two Australian samples, one rural and one on the wildland-urban interface. The study consisted of 300 participants who responded to questionnaires about their place attachment to their homes and local areas, as well as describing their socio-demographic characteristics and wildfire mitigation and preparedness. Hierarchical regression showed that place attachment to homes predicted wildfire mitigation and preparedness in the rural sample but not in the wildland-urban interface sample. The results suggest that place attachment is a motivator for mitigation and preparation only for people living rurally. Reminding rural residents of their attachment to home at the beginning of wildfire season may result in greater mitigation and preparedness. Further research focusing on why attachment does not predict mitigation and preparedness in the wildland-urban interface is needed.

  14. 14 CFR 1274.926 - Clean Air-Water Pollution Control Acts.

    Science.gov (United States)

    2010-01-01

    ... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Clean Air-Water Pollution Control Acts...-Water Pollution Control Acts. Clean Air-Water Pollution Control Acts July 2002 If this cooperative... 91-604) and section 308 of the Federal Water Pollution Control Act, as amended (33 U.S.C. 1251 et...

  15. Interfacing models of wildlife habitat and human development to predict the future distribution of puma habitat

    Science.gov (United States)

    Burdett, Christopher L.; Crooks, Kevin R.; Theobald, David M.; Wilson, Kenneth R.; Boydston, Erin E.; Lyren, Lisa A.; Fisher, Robert N.; Vickers, T. Winston; Morrison, Scott A.; Boyce, Walter M.

    2010-01-01

    The impact of human land uses on ecological systems typically differ relative to how extensively natural conditions are modified. Exurban development is intermediate-intensity residential development that often occurs in natural landscapes. Most species-habitat models do not evaluate the effects of such intermediate levels of human development and even fewer predict how future development patterns might affect the amount and configuration of habitat. We addressed these deficiencies by interfacing a habitat model with a spatially-explicit housing-density model to study the effect of human land uses on the habitat of pumas (Puma concolor) in southern California. We studied the response of pumas to natural and anthropogenic features within their home ranges and how mortality risk varied across a gradient of human development. We also used our housing-density model to estimate past and future housing densities and model the distribution of puma habitat in 1970, 2000, and 2030. The natural landscape for pumas in our study area consisted of riparian areas, oak woodlands, and open, conifer forests embedded in a chaparral matrix. Pumas rarely incorporated suburban or urban development into their home ranges, which is consistent with the hypothesis that the behavioral decisions of individuals can be collectively manifested as population-limiting factors at broader spatial scales. Pumas incorporated rural and exurban development into their home ranges, apparently perceiving these areas as modified, rather than non-habitat. Overall, pumas used exurban areas less than expected and showed a neutral response to rural areas. However, individual pumas that selected for or showed a neutral response to exurban areas had a higher risk of mortality than pumas that selected against exurban habitat. Exurban areas are likely hotspots for puma-human conflict in southern California. Approximately 10% of our study area will transform from exurban, rural, or undeveloped areas to suburban or

  16. Numerical Modeling of Flow Dynamics in The Aluminum Smelting Process: Comparison Between Air-Water and CO2-Cryolite Systems

    Science.gov (United States)

    Zhao, Zhibin; Feng, Yuqing; Schwarz, M. Philip; Witt, Peter J.; Wang, Zhaowen; Cooksey, Mark

    2017-04-01

    Air-water models have been widely applied as substitutes for CO2-cryolite systems in the study of the complex bubble dynamics and bubble-driven flow that occurs in the molten electrolyte phase in the aluminum electrolytic process, but the detailed difference between the two systems has not been studied. This paper makes a numerical comparison between the bubble dynamics for the two systems. Simulations of both single bubble and continuous bubbling were conducted using a three-dimensional computational fluid dynamics (3D CFD) modeling approach with a volume of fluid (VOF) method to capture the phase interfaces. In the single bubble simulations, it was found that bubbles sliding under an anode in a CO2-cryolite system have a smaller bubble thickness and a higher sliding velocity than those in the air-water system for bubbles of the same volume. Dimensionless analysis and numerical simulation show that contact angle is the dominant factor producing these differences; the effects of kinematic viscosity, surface tension, and density are very small. In the continuous bubbling simulations, the continuous stream of air bubbles detaches from the anode sidewall after a period of climbing, just as it does in the single bubble simulation, but bubbles have less tendency to migrate away from the wall. Quasi-stable state flow characteristics, i.e., time-averaged bath flow pattern, turbulence kinetic energy, turbulence dissipation rate, and gas volume fraction, show a remarkable agreement between the two systems in terms of distribution and magnitude. From the current numerical comparisons, it is believed that the air-water model is a close substitutive model for studying bubble-driven bath flow in aluminum smelting processes. However, because of the difference in bubble morphologies between the two systems, and also the reactive generation and growth of bubbles in the real system, there will likely be some differences in bubble coverage of the anode in the anode-cathode gap.

  17. Numerical Modeling of Flow Dynamics in The Aluminum Smelting Process: Comparison Between Air-Water and CO2-Cryolite Systems

    Science.gov (United States)

    Zhao, Zhibin; Feng, Yuqing; Schwarz, M. Philip; Witt, Peter J.; Wang, Zhaowen; Cooksey, Mark

    2016-12-01

    Air-water models have been widely applied as substitutes for CO2-cryolite systems in the study of the complex bubble dynamics and bubble-driven flow that occurs in the molten electrolyte phase in the aluminum electrolytic process, but the detailed difference between the two systems has not been studied. This paper makes a numerical comparison between the bubble dynamics for the two systems. Simulations of both single bubble and continuous bubbling were conducted using a three-dimensional computational fluid dynamics (3D CFD) modeling approach with a volume of fluid (VOF) method to capture the phase interfaces. In the single bubble simulations, it was found that bubbles sliding under an anode in a CO2-cryolite system have a smaller bubble thickness and a higher sliding velocity than those in the air-water system for bubbles of the same volume. Dimensionless analysis and numerical simulation show that contact angle is the dominant factor producing these differences; the effects of kinematic viscosity, surface tension, and density are very small. In the continuous bubbling simulations, the continuous stream of air bubbles detaches from the anode sidewall after a period of climbing, just as it does in the single bubble simulation, but bubbles have less tendency to migrate away from the wall. Quasi-stable state flow characteristics, i.e., time-averaged bath flow pattern, turbulence kinetic energy, turbulence dissipation rate, and gas volume fraction, show a remarkable agreement between the two systems in terms of distribution and magnitude. From the current numerical comparisons, it is believed that the air-water model is a close substitutive model for studying bubble-driven bath flow in aluminum smelting processes. However, because of the difference in bubble morphologies between the two systems, and also the reactive generation and growth of bubbles in the real system, there will likely be some differences in bubble coverage of the anode in the anode-cathode gap.

  18. Nonlinear Acoustics at the Air-Water Free Surface

    Science.gov (United States)

    Pree, Seth; Naranjo, Brian; Putterman, Seth

    2016-11-01

    According to linear acoustics, airborne sound incident on a water surface transmits only a tenth of a percent of its energy. This difficulty of transmitting energy across the water surface limits the feasibility of standoff ultrasound imaging. We propose to overcome this long standing problem by developing new methods of coupling into the medium at standoff. In particular, we believe that the acoustic nonlinearity of both the air and the medium may yield a range of effects in the vicinity of the surface permitting an efficient transmission of ultrasound from the air into the medium. The recent commercial availability of parametric speakers that deliver modulated 100kHz ultrasound at 135dB to nonlinearly generate music at 95dB provides an interesting platform with which to revisit the transmission of sound across acoustic impedance mismatches. We show results of experimental studies of the behavior of the air-water free surface when subjected to large amplitude acoustic pressures from the air. This work was supported by the ARO STIR program.

  19. The Effect of Rain on Air-Water Gas Exchange

    Science.gov (United States)

    Ho, David T.; Bliven, Larry F.; Wanninkhof, Rik; Schlosser, Peter

    1997-01-01

    The relationship between gas transfer velocity and rain rate was investigated at NASA's Rain-Sea Interaction Facility (RSIF) using several SF, evasion experiments. During each experiment, a water tank below the rain simulator was supersaturated with SF6, a synthetic gas, and the gas transfer velocities were calculated from the measured decrease in SF6 concentration with time. The results from experiments with IS different rain rates (7 to 10 mm/h) and 1 of 2 drop sizes (2.8 or 4.2 mm diameter) confirm a significant and systematic enhancement of air-water gas exchange by rainfall. The gas transfer velocities derived from our experiment were related to the kinetic energy flux calculated from the rain rate and drop size. The relationship obtained for mono-dropsize rain at the RSIF was extrapolated to natural rain using the kinetic energy flux of natural rain calculated from the Marshall-Palmer raindrop size distribution. Results of laboratory experiments at RSIF were compared to field observations made during a tropical rainstorm in Miami, Florida and show good agreement between laboratory and field data.

  20. CFD Code Validation against Stratified Air-Water Flow Experimental Data

    Directory of Open Access Journals (Sweden)

    F. Terzuoli

    2008-01-01

    Full Text Available Pressurized thermal shock (PTS modelling has been identified as one of the most important industrial needs related to nuclear reactor safety. A severe PTS scenario limiting the reactor pressure vessel (RPV lifetime is the cold water emergency core cooling (ECC injection into the cold leg during a loss of coolant accident (LOCA. Since it represents a big challenge for numerical simulations, this scenario was selected within the European Platform for Nuclear Reactor Simulations (NURESIM Integrated Project as a reference two-phase problem for computational fluid dynamics (CFDs code validation. This paper presents a CFD analysis of a stratified air-water flow experimental investigation performed at the Institut de Mécanique des Fluides de Toulouse in 1985, which shares some common physical features with the ECC injection in PWR cold leg. Numerical simulations have been carried out with two commercial codes (Fluent and Ansys CFX, and a research code (NEPTUNE CFD. The aim of this work, carried out at the University of Pisa within the NURESIM IP, is to validate the free surface flow model implemented in the codes against experimental data, and to perform code-to-code benchmarking. Obtained results suggest the relevance of three-dimensional effects and stress the importance of a suitable interface drag modelling.

  1. Bifurcations of a creeping air-water flow in a conical container

    Science.gov (United States)

    Balci, Adnan; Brøns, Morten; Herrada, Miguel A.; Shtern, Vladimir N.

    2016-10-01

    This numerical study describes the eddy emergence and transformations in a slow steady axisymmetric air-water flow, driven by a rotating top disk in a vertical conical container. As water height Hw and cone half-angle β vary, numerous flow metamorphoses occur. They are investigated for β =30°, 45°, and 60°. For small Hw, the air flow is multi-cellular with clockwise meridional circulation near the disk. The air flow becomes one cellular as Hw exceeds a threshold depending on β . For all β , the water flow has an unbounded number of eddies whose size and strength diminish as the cone apex is approached. As the water level becomes close to the disk, the outmost water eddy with clockwise meridional circulation expands, reaches the interface, and induces a thin layer with anticlockwise circulation in the air. Then this layer expands and occupies the entire air domain. The physical reasons for the flow transformations are provided. The results are of fundamental interest and can be relevant for aerial bioreactors.

  2. Fast vortex-assisted self-assembly of carbon nanoparticles on an air-water interface.

    Science.gov (United States)

    Rodrigues, Marco-Tulio F; Ajayan, Pulickel M; Silva, Glaura G

    2013-05-30

    In this work a self-assembly technique is presented, allowing the fast formation of carbon black thin films. It consists in the controlled addition of a stable carbon material's dispersion over the water surface, disturbed by a vortex. The vortex, although not essential for the film formation, was found to drastically improve film homogeneity. A physical chemical study concerning how several parameters could be used to tune film properties was also conducted. The self-assembled films, which can be picked up in any hydrophilic substrate, showed a good electrical conductivity and a high optical transparency. As an application example, films about 200 nm thick were employed as supercapacitor electrodes.

  3. Kinetics of marine surfactant adsorption at an air water interface. Baltic Sea studies

    Directory of Open Access Journals (Sweden)

    Stanis³aw J. Pogorzelski

    2001-12-01

    Full Text Available The paper contains the results of studies of natural surface film adsorption kinetics carried out in inland waters and in shallow offshore regions of the Baltic Sea during 2000-01 under calm sea conditions. The novel approach presented here for the adsorption dynamics is based on the mixed kinetic-diffusion model and analyses of the surface pressure-time plots at short (t ->0 and long( t -> ∞ adsorption time intervals. Values of the effective relative diffusion coefficient Deff / D (= 0.008-0.607 and energy barrier for adsorption Ea / RT (= 0.49-7.10 agree well with the data reported for model non-ionic surfactant solutions of pre-cmc concentrations. Wind speed is one of the factors affecting the adsorption barrier via the increased surface pressure of the natural film exposed to wind shear stress (~ U102, and enters the relation Ea / RT = 1.70 U101/3.

  4. Nanostructure of Cationic Polymer Brush at the Air/Water Interface

    Directory of Open Access Journals (Sweden)

    Matsuoka Hideki

    2013-08-01

    Full Text Available Cationic amphiphilic diblock copolymers were synthesized by RAFT polymerization and the nanostructure of their monolayers was investigated by π-A isotherm and X-ray reflectivity. Carpet layer (dense hydrophilic block layer formation under the hydrophobic layer was confirmed and a “brush” layer was found beneath the carpet layer. However, the thickness of brush layer was much thinner than that of the fully-stretched chain length. The critical salt concentration was found to be 0.01 M NaCl, which is much lower than that of the previous strongly anionic brush. These differences were probably caused by the low effective charge on the brush chains due to the hydrophobic nature of the quarternized ammonium cation.

  5. Equation of state and adsorption dynamics of soft microgel particles at an air-water interface

    NARCIS (Netherlands)

    Deshmukh, Omkar S.; Maestro, Armando; Duits, Michel H.G.; Ende, van den Dirk; Cohen Stuart, Martien; Mugele, Frieder

    2014-01-01

    Understanding the adsorption dynamics of soft microgel particles is a key step in designing such particles for potential applications as stimuli-responsive Pickering stabilizers for foams or emulsions. In this study we experimentally determine an equation of state (EOS) for poly (N-isopropylacrylami

  6. It's Alive! Spontaneous Motion of Shear Thickening Fluids Floating on the Air-Water Interface

    CERN Document Server

    Khandavalli, Sunilkumar; Rothstein, Jonathan P

    2013-01-01

    In this fluid dynamics video, we show the spontaneous random motion of thin filaments of a shear-thickening colloidal dispersions floating on the surface of water. The fluid is a dispersion of fumed silica nanoparticles in a low molecular weight polypropylene glycol (PPG) solvent. No external field or force is applied. The observed motion is driven by strong surface tension gradients as the polypropylene glycol slowly diffuses from from the filaments into water, resulting in the observed Marangoni flow. The motion is exaggerated by the thin filament constructs by the attractive interactions between silica nanoparticles and the PPG.

  7. Interfacial rheological properties and conformational aspects of soy glycinin at the air/water interface

    NARCIS (Netherlands)

    Martin, A.H.; Bos, M.A.; Vliet, T. van

    2002-01-01

    Interfacial (rheological) properties of soy glycinin were studied at different pH. At acidic and high alkaline pH glycinin (11S form, Mw ∼ 350 kDa) dissociates into smaller subunits, the so called 3S form (Mw ∼ 44 kDa) and 7S form (Mw ∼ 175 kDa). This dissociation behaviour is expected to affect the

  8. Conversion of Iodide to Hypoiodous Acid and Molecular Iodine at the Air-Water Interface

    Science.gov (United States)

    Pillar, E. A.; Guzman, M. I.

    2013-12-01

    Sea spray aerosols continuously transfer a significant amount of halides to the marine boundary layer, where they play a major role in the depletion of tropospheric ozone. The reactivity of iodide is of special interest in sea spray aerosols, where this species is enriched relative to chloride and bromide in surface seawater. This work presents laboratory experiments that provide mechanistic information to understand the reactivity of halides in atmospheric aerosols. Pneumatically assisted electrospray is used to aerosolize solutions of sodium iodide (0.01-100 μM), which are rapidly (~3 μs) oxidized by ozone at 25 °C. Reaction products include HIO, IO2-, IO3-, I2, HI2O-, and I3-, all identified by mass spectrometry. The distribution of products varies along two different reaction pathways, one favoring the production of I2 and HIO for typical tropospheric ozone levels (~50 ppbv), and another one directed to the production of IO3- at higher oxidizer concentrations. The formation of products increases exponentially with rising concentrations of initial sodium iodide, [NaI]0. The process is determined to be pH independent for the pH range 6-8 representative of surface waters. The substitution of aqueous solutions by organic solvents, such as methanol or acetonitrile, causes a decrease in the surface tension and lifetime of the droplets, leading to larger I2 production. The presence of surface active organic compounds, which alter the structure of the interfacial region, promote the pathway of I2 formation over IO3-. In conclusion, this presentation will show how the oxidation of iodide in aqueous microdroplets can release reactive gas-phase species, such as I2 and HIO, capable to affect tropospheric ozone globally. Normalized intensity of products observed during the ozonolysis of iodide solutions at 130 ppbv ozone. Cone voltage = 70 V, needle voltage = 2.5 kV.

  9. Two-dimensional crystallography of amphiphilic molecules at the air-water interface

    DEFF Research Database (Denmark)

    Jacquemain, D.; Grayer Wolf, S.; Leveiller, F.

    1992-01-01

    time the determination of the in-plane and vertical structure of such monolayers with a resolution approaching the atomic level. We briefly describe these methods, including grazing incidence X-ray diffraction, specular reflectivity, Bragg rods, standing waves, and surface fluorescence techniques...

  10. Surface Shear Viscosity and Phase Transitions of Monolayers at the Air-Water Interface

    Science.gov (United States)

    Relini, A.; Ciuchi, F.; Rolandi, R.

    1995-08-01

    The canal method has been employed to measure the in-plane steady shear viscosity of monolayers of bolaform lipids extracted from the membrane of the thermophilic microorganism Sulfolobus solfataricus. Monolayers were formed with the polar lipid extract (PLE), which is a mixture of several bolaform lipids, each one endowed with two nonequivalent polar headgroups. Viscosities were obtained from the measured flows by using the equation introduced by Joly; this equation contains a semiempirical parameter A, which takes into account the monolayer-subphase mechanical coupling. Measuring the flows for two different substances (PLE and oleic acid) and channel widths, the monolayer viscosities and the parameter A were determined at the same time. The analysis of the viscosity data according to the free area model shows evidences of the molecular conformational changes matching monolayer phase transitions.

  11. Polymerization of a diacetylenic phospholipid monolayer at the air-water interface

    Science.gov (United States)

    Bourdieu, L.; Chatenay, D.; Daillant, J.; Luzet, D.

    1994-01-01

    Monolayers of a polymerizable phospholipid on water have been studied both before and after polymerization. Before polymerization, the phase diagram is established by isotherm measurements and optical microscopy (epifluorescence and direct observation between crossed polarizer and analyzer). This allows us to bring into evidence a coexistence region between a condensed and an expanded phase, above a triple point temperature T_t = 20 ^{circ}C. The dramatic influence of impurities on the size of coexistence domains between the condensed phase and the expanded one is clearly demonstrated, even at a very low concentration of impurities. Structural and morphological modifications during the polymerization where investigated using X-ray surface scattering together with atomic force microscopy. Whatever the polymerization conditions (constant area or constant pressure), X-ray reflectivity clearly shows the reorientation of the diacetylenic links. Only constant area polymerization leads to a viscoelastic behavior of the film, as shown by talcum decoration. The topochemical nature of the polymerization of diacetylenic groups induces strong constraints on the monolayers and, when the polymerization is achieved at constant area, leads to the collapse of the films evidenced by both techniques.

  12. Behavior of lysozyme adsorbed onto biological liquid crystal lipid monolayer at the air/water interface

    Science.gov (United States)

    Lu, Xiaolong; Shi, Ruixin; Hao, Changchun; Chen, Huan; Zhang, Lei; Li, Junhua; Xu, Guoqing; Sun, Runguang

    2016-09-01

    The interaction between proteins and lipids is one of the basic problems of modern biochemistry and biophysics. The purpose of this study is to compare the penetration degree of lysozyme into 1,2-diapalmitoyl-sn-glycero-3-phosphocholine (DPPC) and 1,2-dipalmitoyl-sn-glycero-3-phosphoethano-lamine (DPPE) by analyzing the data of surface pressure-area (π-A) isotherms and surface pressure-time (π-T) curves. Lysozyme can penetrate into both DPPC and DPPE monolayers because of the increase of surface pressure at an initial pressure of 15 mN/m. However, the changes of DPPE are larger than DPPC, indicating stronger interaction of lysozyme with DPPE than DPPC. The reason may be due to the different head groups and phase state of DPPC and DPPE monolayers at the surface pressure of 15 mN/m. Atomic force microscopy reveals that lysozyme was absorbed by DPPC and DPPE monolayers, which leads to self-aggregation and self-assembly, forming irregular multimers and conical multimeric. Through analysis, we think that the process of polymer formation is similar to the aggregation mechanism of amyloid fibers. Project supported by the National Natural Science Foundation of China (Grant Nos. 21402114 and 11544009), the Natural Science Basic Research Plan in Shaanxi Province of China (Grant No. 2016JM2010), the Fundamental Research Funds for the Central Universities of China (Grant No. GK201603026), and the National University Science and Technology Innovation Project of China (Grant No. 201610718013).

  13. Piezoluminescence at the air-water interface through dynamic molecular recognition driven by lateral pressure application.

    Science.gov (United States)

    Ariga, Katsuhiko; Nakanishi, Takashi; Terasaka, Yukiko; Tsuji, Hiromitsu; Sakai, Daisuke; Kikuchi, Jun-ichi

    2005-02-01

    The steroid cyclophanes with a cyclic core consisting of a 1,6,20,25-tetraaza[6.1.6.1]paracyclophane connected to four steroid moieties (cholic acid or cholanic acid) through a flexible l-lysine spacer were spread on water as Langmuir monolayers. The pi-A isotherm of the cholic-type steroid cyclophane includes a transition to the condensed phase with a limiting area of approximately 2 nm(2). This value is close to the cross-sectional area of the steroid cyclophane with a standing-up conformation of the cholic acid moieties, strongly suggesting that the cavity converts from a two-dimensional cavity to a three-dimensional cavity upon compressing the monolayer. Surface-reflective fluorescence spectroscopy of the monolayer using an aqueous fluorescent probe (6-(p-toluidino)naphthalene-2-sulfonate (TNS)) showed an abrupt increase in the TNS fluorescence intensity at a molecular area of 2 nm(2). Efficient binding of the guest probe would occur upon the completion of the three-dimensional cavity. Repeated compression and expansion induces periodic changes in the fluorescence intensity. This indicates a piezoluminescence effect through the catch and release of the TNS guest upon dynamic cavity formation. Analyses of the binding behavior of TNS to the steroid cyclophane resulted in binding constants in the range of approximately (5-9) x 10(4) M(-1) which are similar to that observed in lipid bilayer media (K = 5.1 x 10(4) M(-1)). The fluorescence intensity within the condensed phase was significantly increased with increasing pressure, suggesting that suppression of the molecular motion of the bound TNS may retard the nonemission process. Similar monolayer experiments were carried out with the monolayer of the cholanic-type steroid cyclophane that cannot form an open conformation on water. Both the phase transition in the pi-A isotherm and the change in the fluorescence intensity were negligible, confirming that the dynamic characteristic of the cavity is indispensable for the efficient pressure-induced binding of the guest and the consequent luminescence.

  14. Interaction of polyhedral oligomeric silsesquioxane containing epoxycyclohexyl groups with cholesterol at the air/water interface.

    Science.gov (United States)

    Dopierała, Katarzyna; Maciejewski, Hieronim; Prochaska, Krystyna

    2016-04-01

    Binary mixtures of cholesterol and fully-condensed octakis[{2-(3,4-epoxycyclohexyl) etyl}dimethyl-silyloxy]octasilsesquioxane (OE-POSS) were characterized using Langmuir trough for obtaining surface pressure-area isotherms. The most characteristic feature of the mixed films is the presence of two collapse points on the isotherms. The first one is attributed to the collapse of less stable OE-POSS and it occurs at similar surface pressures for all compositions, while the second one corresponds to cholesterol collapse. Brewster angle microscopy observations confirmed the collapse behavior of the mixed film. Strong condensing effect was observed for the mean molecular areas dependence on cholesterol content in the film. Moreover, formation of microdomains of each component in the matrix of the other one was confirmed by BAM images. For the reasons of molecular structures and interactions a true mixed and homogenous film did not form in the systems considered. Phase separation was observed for all the compositions experimented. The lack of the interactions of OE-POSS with biomembrane components represented by cholesterol is beneficial for applications of OE-POSS in biomedical devices.

  15. Surface viscoelastic properties of spread ferroelectric liquid crystal monolayer on air-water interface

    Science.gov (United States)

    Kaur, Ramneek; Bhullar, Gurpreet Kaur; Raina, K. K.

    2013-06-01

    Ferroelectric Liquid crystal having Smectic C* phase at room temperature was capable of forming Langmuir monolayer due to presence of both hydrophilic and hydrophobic groups in it. Surface viscoelasticity properties of FLC monolayer spread on water surface had been determined by dynamic oscillation method and discussed as a function of surface pressure. Dynamic viscoelastic properties such as G (Elastic modulus), G' (storage (elastic) modulus), G' (Loss (viscous) modulus) and phase change with sinusoidal oscillation had been measured at phase changing surface pressure values. As monolayer was becoming condensed, increasing trend was observed in G' values while G' was decreasing. At higher frequencies, viscous modulus G' had negative values. This relaxation phenomenon was probably caused by conformational rearrangements that acted to fluidize monolayer. Phase change tan θ was positive, response in surface pressure was ahead of the de-formation in area and the monolayer had positive dilatational viscosity. Phase change tan θ was negative, response in surface pressure was hysteretic to the deformation in area, and negative dilatational viscosity had been observed. Studies of monolayer in barrier oscillating mode provided us the surface pressure which was most suitable for Langmuir Blodgett monolayer deposition.

  16. Analytical model for Transient Current Technique (TCT) signal prediction and analysis for thin interface characterization

    Science.gov (United States)

    Bronuzzi, J.; Mapelli, A.; Sallese, J. M.

    2016-12-01

    A silicon wafer bonding technique has been recently proposed for the fabrication of monolithic silicon radiation detectors. This new process would enable direct bonding of a read-out electronic chip wafer on a highly resistive silicon substrate wafer. Therefore, monolithic silicon detectors could be fabricated in this way which would allow the free choice of electronic chips and high resistive silicon bulk, even from different providers. Moreover, a monolithic detector with a high resistive bulk would also be available. Electrical properties of the bonded interface are then critical for this application. Indeed, mobile charges generated by radiation inside the bonded bulk are expected to transit through the interface to be collected by the read-out electronics. In order to characterize this interface, the concept of Transient Current Technique (TCT) has been explored by means of numerical simulations combined with a physics based analytical model. In this work, the analytical model giving insight into the physics behind the TCT dependence upon interface traps is validated using both TCAD simulations and experimental measurements.

  17. Air-water oxygen exchange in a large whitewater river

    Science.gov (United States)

    Hall, Robert O.; Kennedy, Theodore A.; Rosi-Marshall, Emma J.

    2012-01-01

    Air-water gas exchange governs fluxes of gas into and out of aquatic ecosystems. Knowing this flux is necessary to calculate gas budgets (i.e., O2) to estimate whole-ecosystem metabolism and basin-scale carbon budgets. Empirical data on rates of gas exchange for streams, estuaries, and oceans are readily available. However, there are few data from large rivers and no data from whitewater rapids. We measured gas transfer velocity in the Colorado River, Grand Canyon, as decline in O2 saturation deficit, 7 times in a 28-km segment spanning 7 rapids. The O2 saturation deficit exists because of hypolimnetic discharge from Glen Canyon Dam, located 25 km upriver from Lees Ferry. Gas transfer velocity (k600) increased with slope of the immediate reach. k600 was -1 in flat reaches, while k600 for the steepest rapid ranged 3600-7700 cm h-1, an extremely high value of k600. Using the rate of gas exchange per unit length of water surface elevation (Kdrop, m-1), segment-integrated k600 varied between 74 and 101 cm h-1. Using Kdrop we scaled k600 to the remainder of the Colorado River in Grand Canyon. At the scale corresponding to the segment length where 80% of the O2 exchanged with the atmosphere (mean length = 26.1 km), k600 varied 4.5-fold between 56 and 272 cm h-1 with a mean of 113 cm h-1. Gas transfer velocity for the Colorado River was higher than those from other aquatic ecosystems because of large rapids. Our approach of scaling k600 based on Kdrop allows comparing gas transfer velocity across rivers with spatially heterogeneous morphology.

  18. ProBiS-CHARMMing: Web Interface for Prediction and Optimization of Ligands in Protein Binding Sites.

    Science.gov (United States)

    Konc, Janez; Miller, Benjamin T; Štular, Tanja; Lešnik, Samo; Woodcock, H Lee; Brooks, Bernard R; Janežič, Dušanka

    2015-11-23

    Proteins often exist only as apo structures (unligated) in the Protein Data Bank, with their corresponding holo structures (with ligands) unavailable. However, apoproteins may not represent the amino-acid residue arrangement upon ligand binding well, which is especially problematic for molecular docking. We developed the ProBiS-CHARMMing web interface by connecting the ProBiS ( http://probis.cmm.ki.si ) and CHARMMing ( http://www.charmming.org ) web servers into one functional unit that enables prediction of protein-ligand complexes and allows for their geometry optimization and interaction energy calculation. The ProBiS web server predicts ligands (small compounds, proteins, nucleic acids, and single-atom ligands) that may bind to a query protein. This is achieved by comparing its surface structure against a nonredundant database of protein structures and finding those that have binding sites similar to that of the query protein. Existing ligands found in the similar binding sites are then transposed to the query according to predictions from ProBiS. The CHARMMing web server enables, among other things, minimization and potential energy calculation for a wide variety of biomolecular systems, and it is used here to optimize the geometry of the predicted protein-ligand complex structures using the CHARMM force field and to calculate their interaction energies with the corresponding query proteins. We show how ProBiS-CHARMMing can be used to predict ligands and their poses for a particular binding site, and minimize the predicted protein-ligand complexes to obtain representations of holoproteins. The ProBiS-CHARMMing web interface is freely available for academic users at http://probis.nih.gov.

  19. Modification of the Young-Laplace equation and prediction of bubble interface in the presence of nanoparticles.

    Science.gov (United States)

    Vafaei, Saeid; Wen, Dongsheng

    2015-11-01

    Bubbles are fundamental to our daily life and have wide applications such as in the chemical and petrochemical industry, pharmaceutical engineering, mineral processing and colloids engineering. This paper reviews the existing theoretical and experimental bubble studies, with a special focus on the dynamics of triple line and the influence of nanoparticles on the bubble growth and departure process. Nanoparticles are found to influence significantly the effective interfacial properties and the dynamics of triple line, whose effects are dependent on the particle morphology and their interaction with the substrate. While the Young-Laplace equation is widely applied to predict the bubble shape, its application is limited under highly non-equilibrium conditions. Using gold nanoparticle as an example, new experimental study is conducted to reveal the particle concentration influence on the behaviour of triple line and bubble dynamics. A new method is developed to predict the bubble shape when the interfacial equilibrium conditions cannot be met, such as during the oscillation period. The method is used to calculate the pressure difference between the gas and liquid phases, which is shown to oscillate across the liquid-gas interface and is responsible for the interface fluctuation. The comparison of the theoretical study with the experimental data shows a very good agreement, which suggests its potential application to predict bubble shape during non-equilibrium conditions.

  20. Prediction of brain-computer interface aptitude from individual brain structure

    OpenAIRE

    Halder, S.; Varkuti, B.; Bogdan, M.; Kübler, A; Rosenstiel, W.; R. Sitaram; Birbaumer, N.

    2013-01-01

    Objective: Brain-computer interface (BCI) provide a non-muscular communication channel for patients with impairments of the motor system. A significant number of BCI users is unable to obtain voluntary control of a BCI-system in proper time. This makes methods that can be used to determine the aptitude of a user necessary. Methods: We hypothesized that integrity and connectivity of involved white matter connections may serve as a predictor of individual BCI-performance. Therefore, we analy...

  1. Prediction of brain-computer interface aptitude from individual brain structure

    OpenAIRE

    Sebastian eHalder; Balint eVarkuti; Martin eBogdan; Andrea eKübler; Wolfgang eRosenstiel; Ranganatha eSitaram; Niels eBirbaumer

    2013-01-01

    Objective: Brain-computer interfaces (BCIs) provide a non-muscular communication channel for patients with impairments of the motor system. A significant number of BCI users is unable to obtain voluntary control of a BCI-system in proper time. This makes methods that can be used to determine the aptitude of a user necessary.Methods: We hypothesized that integrity and connectivity of involved white matter connections may serve as a predictor of individual BCI-performance. Therefore, we analyze...

  2. Nonlinear optical studies of aqueous interfaces, polymers, and nanowires

    Science.gov (United States)

    Onorato, Robert Michael

    Understanding the structure and composition of aqueous interfaces is one of the most important current problems in modern science. Aqueous interfaces are ubiquitous in Nature, ranging from aerosols to cellular structures. Aerosol chemistry is presently the most significant unknown factor in predicting climate change, and an understanding of the chemistry that occurs at aerosol interfaces would significantly improve climate models. Similarly, the nature of aqueous biological interfaces has a profound effect on the structure and function of proteins and other biological structures. Despite the importance of these problems, aqueous interfaces remain incompletely understood due to the challenges of experimentally probing them. Recent experimental and theoretical results have firmly established the existence of enhanced concentrations of selected ions at the air/water interface. In this dissertation, I use an interface-specific technique, UV second harmonic generation (SHG), to further investigate the adsorption of ions to the air/water interface and to extend the study of ion adsorption towards more biologically relevant systems, alcohol/water interfaces. In Chapter 2, I describe resonant UV-SHG studies of the strongly chaotropic thiocyanate ion adsorbed to the interface formed by water and a monolayer of dodecanol, wherein the Gibbs free energy of adsorption was determined to be -6.7 +/- 1.1 and -6.3 +/- 1.8 kJ/mol for sodium and potassium thiocyanate, respectively, coincident with the value determined for thiocyanate at the air/water interface. Interestingly, at concentrations near and above 4 M, the resonant SHG signal increases discontinuously, indicating a structural change in the interfacial region. Recent experimental and theoretical work has demonstrated that the adsorption of bromide is particularly important for chemical reactions on atmospheric aerosols, including the depletion of ozone. In Chapter 3, UV-SHG resonant with the bromide charge

  3. Fuzzy-logic based learning style prediction in e-learning using web interface information

    Indian Academy of Sciences (India)

    L Jegatha Deborah; R Sathiyaseelan; S Audithan; P Vijayakumar

    2015-04-01

    he e-learners' excellence can be improved by recommending suitable e-contents available in e-learning servers that are based on investigating their learning styles. The learning styles had to be predicted carefully, because the psychological balance is variable in nature and the e-learners are diversified based on the learning patterns, environment, time and their mood. Moreover, the knowledge about the learners used for learning style prediction is uncertain in nature. This paper identifies Felder–Silverman learning style model as a suitable model for learning style prediction, especially in web environments and proposes to use Fuzzy rules to handle the uncertainty in the learning style predictions. The evaluations have used the Gaussian membership function based fuzzy logic for 120 students and tested for learning of C programming language and it has been observed that the proposed model improved the accuracy in prediction significantly.

  4. Modeling the dynamic folding and surface-activity of a helical peptide adsorbing to a pendant bubble interface.

    Science.gov (United States)

    Jain, Vikas P; Maldarelli, Charles; Tu, Raymond S

    2009-03-15

    We have designed a peptide with switchable surface activity, where the folded (alpha-helical) form of the peptide is amphiphilic and the unfolded form is not. To understand the factors influencing the dynamics of the switchability, a model is developed for the transport of the surface active form of the peptide from the solution onto air-water interface. As is the case with the low molecular weight head-tail surfactants, the transport involves the bulk diffusion of the folded form to the surface and the kinetic adsorption onto the interface. Unlike the head-tail surfactants, the diffusion can be augmented by the kinetics of the folding of the peptide from the unfolded form. The model is formulated within the context of the transport of the peptide from a uniform bulk solution onto an initially clean air-water interface in a pendant bubble system, where the transport rate can be measured by recording the reduction in surface tension using the shape analysis of the bubble. Experiments are undertaken and compared to the predictions of the model simulations of the tension reduction for a range of values of the kinetic adsorption constant and the folding kinetic constant. The results indicate that the kinetic adsorption rate of the folded peptide onto air-water interface dominates the dynamic process, which contrasts many head-tail surfactants where diffusion typically dominates over kinetics adsorption. Moreover, our 'best-fits' suggest that there is a phase transition at high surface concentrations that slows the long-time adsorption of the peptides to the interface. Finally, the numerical solution is compared with an asymptotic solution, showing agreement with our findings that the fundamental dynamics of the tunable surface-active peptide are indeed controlled by the adsorption step.

  5. Interactive Effect of Air-Water Ratio and Temperature on the Air ...

    African Journals Online (AJOL)

    Windows User

    KEYWORDS: Interactive effect, air-water ratio, temperature, volatile organic ... VOCs removal from wastewater by increasing the surface ... surface area (m2). ... where α and n are constants, DL is liquid diffusion coefficient .... Packing volume.

  6. Experimental study of the decrease in the temperature of an air/water-cooled turbine blade

    Science.gov (United States)

    Ryzhov, A. A.; Sereda, A. V.; Shaiakberov, V. F.; Iskakov, K. M.; Shatalov, Iu. S.

    Results of the full-scale testing of an air/water-cooled deflector-type turbine blade are reported. Data on the decrease in the temperature of the cooling air and of the blade are presented and compared with the calculated values. An analysis of the results indicates that the use of air/water cooling makes it possible to significantly reduce the temperature of the cooling air and of the blade with practically no increase in the engine weight and dimensions.

  7. Application of a laser Doppler vibrometer for air-water to subsurface signature detection

    Science.gov (United States)

    Land, Phillip; Roeder, James; Robinson, Dennis; Majumdar, Arun

    2015-05-01

    There is much interest in detecting a target and optical communications from an airborne platform to a platform submerged under water. Accurate detection and communications between underwater and aerial platforms would increase the capabilities of surface, subsurface, and air, manned and unmanned vehicles engaged in oversea and undersea activities. The technique introduced in this paper involves a Laser Doppler Vibrometer (LDV) for acousto-optic sensing for detecting acoustic information propagated towards the water surface from a submerged platform inside a 12 gallon water tank. The LDV probes and penetrates the water surface from an aerial platform to detect air-water surface interface vibrations caused by an amplifier to a speaker generating a signal generated from underneath the water surface (varied water depth from 1" to 8"), ranging between 50Hz to 5kHz. As a comparison tool, a hydrophone was used simultaneously inside the water tank for recording the acoustic signature of the signal generated between 50Hz to 5kHz. For a signal generated by a submerged platform, the LDV can detect the signal. The LDV detects the signal via surface perturbations caused by the impinging acoustic pressure field; proving a technique of transmitting/sending information/messages from a submerged platform acoustically to the surface of the water and optically receiving the information/message using the LDV, via the Doppler Effect, allowing the LDV to become a high sensitivity optical-acoustic device. The technique developed has much potential usage in commercial oceanography applications. The present work is focused on the reception of acoustic information from an object located underwater.

  8. Air-water exchange of PAHs and OPAHs at a superfund mega-site.

    Science.gov (United States)

    Tidwell, Lane G; Blair Paulik, L; Anderson, Kim A

    2017-12-15

    Chemical fate is a concern at environmentally contaminated sites, but characterizing that fate can be difficult. Identifying and quantifying the movement of chemicals at the air-water interface are important steps in characterizing chemical fate. Superfund sites are often suspected sources of air pollution due to legacy sediment and water contamination. A quantitative assessment of polycyclic aromatic hydrocarbons (PAHs) and oxygenated PAH (OPAHs) diffusive flux in a river system that contains a Superfund Mega-site, and passes through residential, urban and agricultural land, has not been reported before. Here, passive sampling devices (PSDs) were used to measure 60 polycyclic aromatic hydrocarbons (PAHs) and 22 oxygenated PAH (OPAHs) in air and water. From these concentrations the magnitude and direction of contaminant flux between these two compartments was calculated. The magnitude of PAH flux was greater at sites near or within the Superfund Mega-site than outside of the Superfund Mega-site. The largest net individual PAH deposition at a single site was naphthalene at a rate of -14,200 (±5780) (ng/m(2))/day. The estimated one-year total flux of phenanthrene was -7.9×10(5) (ng/m(2))/year. Human health risk associated with inhalation of vapor phase PAHs and dermal exposure to PAHs in water were assessed by calculating benzo[a]pyrene equivalent concentrations. Excess lifetime cancer risk estimates show potential increased risk associated with exposure to PAHs at sites within and in close proximity to the Superfund Mega-site. Specifically, estimated excess lifetime cancer risk associated with dermal exposure and inhalation of PAHs was above 1 in 1 million within the Superfund Mega-site. The predominant depositional flux profile observed in this study suggests that the river water in this Superfund site is largely a sink for airborne PAHs, rather than a source. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Motor cortical prediction of EMG: evidence that a kinetic brain-machine interface may be robust across altered movement dynamics.

    Science.gov (United States)

    Cherian, A; Krucoff, M O; Miller, L E

    2011-08-01

    During typical movements, signals related to both the kinematics and kinetics of movement are mutually correlated, and each is correlated to some extent with the discharge of neurons in the primary motor cortex (M1). However, it is well known, if not always appreciated, that causality cannot be inferred from correlations. Although these mutual correlations persist, their nature changes with changing postural or dynamical conditions. Under changing conditions, only signals directly controlled by M1 can be expected to maintain a stable relationship with its discharge. If one were to rely on noncausal correlations for a brain-machine interface, its generalization across conditions would likely suffer. We examined this effect, using multielectrode recordings in M1 as input to linear decoders of both end point kinematics (position and velocity) and proximal limb myoelectric signals (EMG) during reaching. We tested these decoders across tasks that altered either the posture of the limb or the end point forces encountered during movement. Within any given task, the accuracy of the kinematic predictions tended to be somewhat better than the EMG predictions. However, when we used the decoders developed under one task condition to predict the signals recorded under different postural or dynamical conditions, only the EMG decoders consistently generalized well. Our results support the view that M1 discharge is more closely related to kinetic variables like EMG than it is to limb kinematics. These results suggest that brain-machine interface applications using M1 to control kinetic variables may prove to be more successful than the more standard kinematic approach.

  10. Visuo-motor coordination ability predicts performance with brain-computer interfaces controlled by modulation of sensorimotor rhythms (SMR

    Directory of Open Access Journals (Sweden)

    Eva Maria Hammer

    2014-08-01

    Full Text Available Modulation of sensorimotor rhythms (SMR was suggested as a control signal for brain-computer interfaces (BCI. Yet, there is a population of users estimated between 10 to 50% not able to achieve reliable control and only about 20% of users achieve high (80-100% performance. Predicting performance prior to BCI use would facilitate selection of the most feasible system for an individual, thus constitute a practical benefit for the user, and increase our knowledge about the correlates of BCI control. In a recent study, we predicted SMR-BCI performance from psychological variables that were assessed prior to the BCI sessions and BCI control was supported with machine-learning techniques. We described two significant psychological predictors, namely the visuo-motor coordination ability and the ability to concentrate on the task. The purpose of the current study was to replicate these results thereby validating these predictors within a neurofeedback based SMR-BCI that involved no machine learning. Thirty-three healthy BCI novices participated in a calibration session and three further neurofeedback training sessions. Two variables were related with mean SMR-BCI performance: (1 A measure for the accuracy of fine motor skills, i.e. a trade for a person’s visuo-motor control ability and (2 subject’s attentional impulsivity. In a linear regression they accounted for almost 20% in variance of SMR-BCI performance, but predictor (1 failed significance. Nevertheless, on the basis of our prior regression model for sensorimotor control ability we could predict current SMR-BCI performance with an average prediction error of M = 12.07%. In more than 50% of the participants, the prediction error was smaller than 10%. Hence, psychological variables played a moderate role in predicting SMR-BCI performance in a neurofeedback approach that involved no machine learning. Future studies are needed to further consolidate (or reject the present predictors.

  11. On the Interface Between Automated Predictive Demand Planning Techniques and Humans in Collaborative Planning Processes

    DEFF Research Database (Denmark)

    Schorsch, Timm; Wallenburg, Carl Marcus; Wieland, Andreas

    of these techniques. The underlying case of this paper refers to collaborative supply chain processes that are predestinated for integrating new big data and predictive analytics techniques. By building a theoretical framework for deriving sound hypothesis and introducing and testing the experimental design...

  12. Dose prediction accuracy of anisotropic analytical algorithm and pencil beam convolution algorithm beyond high density heterogeneity interface

    Directory of Open Access Journals (Sweden)

    Suresh B Rana

    2013-01-01

    Full Text Available Purpose: It is well known that photon beam radiation therapy requires dose calculation algorithms. The objective of this study was to measure and assess the ability of pencil beam convolution (PBC and anisotropic analytical algorithm (AAA to predict doses beyond high density heterogeneity. Materials and Methods: An inhomogeneous phantom of five layers was created in Eclipse planning system (version 8.6.15. Each layer of phantom was assigned in terms of water (first or top, air (second, water (third, bone (fourth, and water (fifth or bottom medium. Depth doses in water (bottom medium were calculated for 100 monitor units (MUs with 6 Megavoltage (MV photon beam for different field sizes using AAA and PBC with heterogeneity correction. Combinations of solid water, Poly Vinyl Chloride (PVC, and Styrofoam were then manufactured to mimic phantoms and doses for 100 MUs were acquired with cylindrical ionization chamber at selected depths beyond high density heterogeneity interface. The measured and calculated depth doses were then compared. Results: AAA′s values had better agreement with measurements at all measured depths. Dose overestimation by AAA (up to 5.3% and by PBC (up to 6.7% was found to be higher in proximity to the high-density heterogeneity interface, and the dose discrepancies were more pronounced for larger field sizes. The errors in dose estimation by AAA and PBC may be due to improper beam modeling of primary beam attenuation or lateral scatter contributions or combination of both in heterogeneous media that include low and high density materials. Conclusions: AAA is more accurate than PBC for dose calculations in treating deep-seated tumor beyond high-density heterogeneity interface.

  13. The nanoindentation applied to predict the interface delamination for the C/amorphous Si composite film

    Science.gov (United States)

    Han, Chang-Fu; Huang, Chao-Yu; Wu, Bo-Hsiung; Lin, Jen-Fin

    2009-10-01

    In the present study, the indentation depth corresponding to the pop-in arising in the loading process is found to be quite close to the C/amorphous Si composite film thickness, regardless of the C-film thickness. This load-depth behavior gives a clue that the occurrence of pop-in is perhaps related to the buckling of the composite film, which had already delaminated from the silicon substrate. This indentation depth of buckling predicted by the present model is quite close to the pop-in depth obtained from experimental results, regardless of the change in the C-film thickness. This characteristic reveals that the present model is developed successfully to predict the pop-in depth of a specimen, and the pop-in is indeed created due to the buckling of the composite film under a compression stress.

  14. Fracture model for predicting concrete cover-cracking induced by steel corrosion based on interface bond state

    Institute of Scientific and Technical Information of China (English)

    WANG Xian-li; ZHENG Jian-jun; WU Zhi-min

    2009-01-01

    Time-to-cracking of the concrete cover induced by the steel corrosion is one of the critical problems faced by engineers, operators and asset managers in making strategies for the maintenance and repairs of reinforced concrete (RC)structures affected by corrosion. In this paper, a theoretical model for predicting the time-to-cracking is derived by assuming the bond between the steel bar and the concrete as a linear combination of perfectly smooth and bonded. The model takes into account the characteristics of existing exiguous flaws and initial cracks in the concrete before the load acting on RC structures. The validity of the proposed model is preliminarily verified by comparing the obtained results with the available experimental results. A remarkable advantage of the proposed method is its application to the prediction of the service life of RC structures, made of the deformed steel bars as well as the round bars. By determining an experimental constant α, which is related to the interface bond state between the steel bar and the concrete, the service life of RC structures can be predicted using the proposed scheme. Analysis of major factors affecting the time-to-cracking demonstrates that the length of the initial crack affects the service life of RC structures significantly. Moreover, the larger cover thickness and the smaller diameter of the steel bar within a certain range are beneficial to prolonging the time-to-cracking.

  15. Virtual Diagnostics Interface: Real Time Comparison of Experimental Data and CFD Predictions for a NASA Ares I-Like Vehicle

    Science.gov (United States)

    Schwartz, Richard J.; Fleming, Gary A.

    2007-01-01

    Virtual Diagnostics Interface technology, or ViDI, is a suite of techniques utilizing image processing, data handling and three-dimensional computer graphics. These techniques aid in the design, implementation, and analysis of complex aerospace experiments. LiveView3D is a software application component of ViDI used to display experimental wind tunnel data in real-time within an interactive, three-dimensional virtual environment. The LiveView3D software application was under development at NASA Langley Research Center (LaRC) for nearly three years. LiveView3D recently was upgraded to perform real-time (as well as post-test) comparisons of experimental data with pre-computed Computational Fluid Dynamics (CFD) predictions. This capability was utilized to compare experimental measurements with CFD predictions of the surface pressure distribution of the NASA Ares I Crew Launch Vehicle (CLV) - like vehicle when tested in the NASA LaRC Unitary Plan Wind Tunnel (UPWT) in December 2006 - January 2007 timeframe. The wind tunnel tests were conducted to develop a database of experimentally-measured aerodynamic performance of the CLV-like configuration for validation of CFD predictive codes.

  16. Predictive Framework and Experimental Tests of the Kinetic Isotope Effect at Redox-Active Interfaces

    Science.gov (United States)

    Kavner, A.; John, S.; Black, J. R.

    2013-12-01

    Electrochemical reactions provide a compelling framework to study kinetic isotope effects because redox-related processes are important for a wide variety of geological and environmental processes. In the laboratory, electrochemical reaction rates can be electronically controlled and measured in the laboratory using a potentiostat. This enables variation of redox reactions rates independent of changes in chemistry and, and the resulting isotope compositions of reactants and products can be separated and analyzed. In the past years, a series of experimental studies have demonstrated a large, light, and tunable kinetic isotope effect during electrodeposition of metal Fe, Zn, Li, Cu, and Mo from a variety of solutions (e.g. Black et al., 2009, 2010, 2011). A theoretical framework based on Marcus kinetic theory predicts a voltage-dependent kinetic isotope effect (Kavner et al., 2005, 2008), however while this framework was able to predict the tunable nature of the effect, it was not able to simultaneously predict absolute reaction rates and relative isotope rates. Here we present a more complete development of a statistical mechanical framework for simple interfacial redox reactions, which includes isotopic behavior. The framework is able to predict a kinetic isotope effect as a function of temperature and reaction rate, starting with three input parameters: a single reorganization energy which describes the overall kinetics of the electron transfer reaction, and the equilibrium reduced partition function ratios for heavy and light isotopes in the product and reactant phases. We show the framework, elucidate some of the predictions, and show direct comparisons against isotope fractionation data obtained during laboratory and natural environment redox processes. A. Kavner, A. Shahar, F. Bonet, J. Simon and E. Young (2005) Geochim. Cosmochim. Acta, 69(12), 2971-2979. A. Kavner, S. G. John, S. Sass, and E. A. Boyle (2008), Geochim. Cosmochim. Acta, vol 72, pp. 1731

  17. Using Models to Provide Predicted Ranges for Building-Human Interfaces: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Long, N.; Scheib, J.; Pless, S.; Schott, M.

    2013-09-01

    Most building energy consumption dashboards provide only a snapshot of building performance; whereas some provide more detailed historic data with which to compare current usage. This paper will discuss the Building Agent(tm) platform, which has been developed and deployed in a campus setting at the National Renewable Energy Laboratory as part of an effort to maintain the aggressive energyperformance achieved in newly constructed office buildings and laboratories. The Building Agent(tm) provides aggregated and coherent access to building data, including electric energy, thermal energy, temperatures, humidity, and lighting levels, and occupant feedback, which are displayed in various manners for visitors, building occupants, facility managers, and researchers. This paper focuseson the development of visualizations for facility managers, or an energy performance assurance role, where metered data are used to generate models that provide live predicted ranges of building performance by end use. These predicted ranges provide simple, visual context for displayed performance data without requiring users to also assess historical information or trends. Several energymodelling techniques were explored including static lookup-based performance targets, reduced-order models derived from historical data using main effect variables such as solar radiance for lighting performance, and integrated energy models using a whole-building energy simulation program.

  18. KFC2: a knowledge-based hot spot prediction method based on interface solvation, atomic density, and plasticity features.

    Science.gov (United States)

    Zhu, Xiaolei; Mitchell, Julie C

    2011-09-01

    Hot spots constitute a small fraction of protein-protein interface residues, yet they account for a large fraction of the binding affinity. Based on our previous method (KFC), we present two new methods (KFC2a and KFC2b) that outperform other methods at hot spot prediction. A number of improvements were made in developing these new methods. First, we created a training data set that contained a similar number of hot spot and non-hot spot residues. In addition, we generated 47 different features, and different numbers of features were used to train the models to avoid over-fitting. Finally, two feature combinations were selected: One (used in KFC2a) is composed of eight features that are mainly related to solvent accessible surface area and local plasticity; the other (KFC2b) is composed of seven features, only two of which are identical to those used in KFC2a. The two models were built using support vector machines (SVM). The two KFC2 models were then tested on a mixed independent test set, and compared with other methods such as Robetta, FOLDEF, HotPoint, MINERVA, and KFC. KFC2a showed the highest predictive accuracy for hot spot residues (True Positive Rate: TPR = 0.85); however, the false positive rate was somewhat higher than for other models. KFC2b showed the best predictive accuracy for hot spot residues (True Positive Rate: TPR = 0.62) among all methods other than KFC2a, and the False Positive Rate (FPR = 0.15) was comparable with other highly predictive methods.

  19. High Accuracy Liquid Propellant Slosh Predictions Using an Integrated CFD and Controls Analysis Interface

    Science.gov (United States)

    Marsell, Brandon; Griffin, David; Schallhorn, Dr. Paul; Roth, Jacob

    2012-01-01

    Coupling computational fluid dynamics (CFD) with a controls analysis tool elegantly allows for high accuracy predictions of the interaction between sloshing liquid propellants and th e control system of a launch vehicle. Instead of relying on mechanical analogs which are not valid during aU stages of flight, this method allows for a direct link between the vehicle dynamic environments calculated by the solver in the controls analysis tool to the fluid flow equations solved by the CFD code. This paper describes such a coupling methodology, presents the results of a series of test cases, and compares said results against equivalent results from extensively validated tools. The coupling methodology, described herein, has proven to be highly accurate in a variety of different cases.

  20. Integrated CFD and Controls Analysis Interface for High Accuracy Liquid Propellant Slosh Predictions

    Science.gov (United States)

    Marsell, Brandon; Griffin, David; Schallhorn, Paul; Roth, Jacob

    2012-01-01

    Coupling computational fluid dynamics (CFD) with a controls analysis tool elegantly allows for high accuracy predictions of the interaction between sloshing liquid propellants and the control system of a launch vehicle. Instead of relying on mechanical analogs which are n0t va lid during all stages of flight, this method allows for a direct link between the vehicle dynamic environments calculated by the solver in the controls analysis tool to the fluid now equations solved by the CFD code. This paper describes such a coupling methodology, presents the results of a series of test cases, and compares said results against equivalent results from extensively validated tools. The coupling methodology, described herein, has proven to be highly accurate in a variety of different cases.

  1. Integration of a model-independent interface for RBE predictions in a treatment planning system for active particle beam scanning.

    Science.gov (United States)

    Steinsträter, O; Scholz, U; Friedrich, T; Krämer, M; Grün, R; Durante, M; Scholz, M

    2015-09-07

    Especially for heavier ions such as carbon ions, treatment planning systems (TPSs) for ion radiotherapy depend on models predicting the relative biological effectiveness (RBE) of the particles involved. Such models are subject to intensive research and the choice of the optimal RBE model is a matter of debate. On the other hand TPSs are often strongly coupled to particular RBE models and transition even to extended models of the same family can be difficult. We present here a model-independent interface which allows the unbiased use of any RBE model capable of providing dose-effect curves (even sampled curves) for a TPS. The full decoupling between the RBE model and TPS is based on the beam-mixing model proposed by Lam which is, in contrast to the often-used Zaider-Rossi model, independent of the explicit form of the underlying dose-effect curves. This approach not only supports the refinement of RBE models without adaptations of the TPS--which we demonstrate by means of the local effect model (LEM)--but also allows the comparison of very different model approaches on a common basis. We exemplify this by a comparison between the LEM and a model from the literature for proton RBE prediction.

  2. Surface velocity divergence model of air/water interfacial gas transfer in open-channel flows

    Science.gov (United States)

    Sanjou, M.; Nezu, I.; Okamoto, T.

    2017-04-01

    Air/water interfacial gas transfer through a free surface plays a significant role in preserving and restoring water quality in creeks and rivers. However, direct measurements of the gas transfer velocity and reaeration coefficient are still difficult, and therefore a reliable prediction model needs to be developed. Varying systematically the bulk-mean velocity and water depth, laboratory flume experiments were conducted and we measured surface velocities and dissolved oxygen (DO) concentrations in open-channel flows to reveal the relationship between DO transfer velocity and surface divergence (SD). Horizontal particle image velocimetry measurements provide the time-variations of surface velocity divergence. Positive and negative regions of surface velocity divergence are transferred downstream in time, as occurs in boil phenomenon on natural river free-surfaces. The result implies that interfacial gas transfer is related to bottom-situated turbulence motion and vertical mass transfer. The original SD model focuses mainly on small-scale viscous motion, and this model strongly depends on the water depth. Therefore, we modify the SD model theoretically to accommodate the effects of the water depth on gas transfer, introducing a non-dimensional parameter that includes contributions of depth-scale large-vortex motion, such as secondary currents, to surface renewal events related to DO transport. The modified SD model proved effective and reasonable without any dependence on the bulk mean velocity and water depth, and has a larger coefficient of determination than the original SD model. Furthermore, modeling of friction velocity with the Reynolds number improves the practicality of a new formula that is expected to be used in studies of natural rivers.

  3. Optimizing the stimulus presentation paradigm design for the P300-based brain-computer interface using performance prediction

    Science.gov (United States)

    Mainsah, B. O.; Reeves, G.; Collins, L. M.; Throckmorton, C. S.

    2017-08-01

    Objective. The role of a brain-computer interface (BCI) is to discern a user’s intended message or action by extracting and decoding relevant information from brain signals. Stimulus-driven BCIs, such as the P300 speller, rely on detecting event-related potentials (ERPs) in response to a user attending to relevant or target stimulus events. However, this process is error-prone because the ERPs are embedded in noisy electroencephalography (EEG) data, representing a fundamental problem in communication of the uncertainty in the information that is received during noisy transmission. A BCI can be modeled as a noisy communication system and an information-theoretic approach can be exploited to design a stimulus presentation paradigm to maximize the information content that is presented to the user. However, previous methods that focused on designing error-correcting codes failed to provide significant performance improvements due to underestimating the effects of psycho-physiological factors on the P300 ERP elicitation process and a limited ability to predict online performance with their proposed methods. Maximizing the information rate favors the selection of stimulus presentation patterns with increased target presentation frequency, which exacerbates refractory effects and negatively impacts performance within the context of an oddball paradigm. An information-theoretic approach that seeks to understand the fundamental trade-off between information rate and reliability is desirable. Approach. We developed a performance-based paradigm (PBP) by tuning specific parameters of the stimulus presentation paradigm to maximize performance while minimizing refractory effects. We used a probabilistic-based performance prediction method as an evaluation criterion to select a final configuration of the PBP. Main results. With our PBP, we demonstrate statistically significant improvements in online performance, both in accuracy and spelling rate, compared to the conventional

  4. Molecular Design of Branched and Binary Molecules at Ordered Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Genson, Kirsten Larson [Iowa State Univ., Ames, IA (United States)

    2005-01-01

    This study examined five different branched molecular architectures to discern the effect of design on the ability of molecules to form ordered structures at interfaces. Photochromic monodendrons formed kinked packing structures at the air-water interface due to the cross-sectional area mismatch created by varying number of alkyl tails and the hydrophilic polar head group. The lower generations formed orthorhombic unit cell with long range ordering despite the alkyl tails tilted to a large degree. Favorable interactions between liquid crystalline terminal groups and the underlying substrate were observed to compel a flexible carbosilane dendrimer core to form a compressed elliptical conformation which packed stagger within lamellae domains with limited short range ordering. A twelve arm binary star polymer was observed to form two dimensional micelles at the air-water interface attributed to the higher polystyrene block composition. Linear rod-coil molecules formed a multitude of packing structures at the air-water interface due to the varying composition. Tree-like rod-coil molecules demonstrated the ability to form one-dimensional structures at the air-water interface and at the air-solvent interface caused by the preferential ordering of the rigid rod cores. The role of molecular architecture and composition was examined and the influence chemically competing fragments was shown to exert on the packing structure. The amphiphilic balance of the different molecular series exhibited control on the ordering behavior at the air-water interface and within bulk structures. The shell nature and tail type was determined to dictate the preferential ordering structure and molecular reorganization at interfaces with the core nature effect secondary.

  5. Leveraging Open Standard Interfaces in Providing Efficient Discovery, Retrieval, and Information of NASA-Sponsored Observations and Predictions

    Science.gov (United States)

    Cole, M.; Alameh, N.; Bambacus, M.

    2006-05-01

    The Applied Sciences Program at NASA focuses on extending the results of NASA's Earth-Sun system science research beyond the science and research communities to contribute to national priority applications with societal benefits. By employing a systems engineering approach, supporting interoperable data discovery and access, and developing partnerships with federal agencies and national organizations, the Applied Sciences Program facilitates the transition from research to operations in national applications. In particular, the Applied Sciences Program identifies twelve national applications, listed at http://science.hq.nasa.gov/earth-sun/applications/, which can be best served by the results of NASA aerospace research and development of science and technologies. The ability to use and integrate NASA data and science results into these national applications results in enhanced decision support and significant socio-economic benefits for each of the applications. This paper focuses on leveraging the power of interoperability and specifically open standard interfaces in providing efficient discovery, retrieval, and integration of NASA's science research results. Interoperability (the ability to access multiple, heterogeneous geoprocessing environments, either local or remote by means of open and standard software interfaces) can significantly increase the value of NASA-related data by increasing the opportunities to discover, access and integrate that data in the twelve identified national applications (particularly in non-traditional settings). Furthermore, access to data, observations, and analytical models from diverse sources can facilitate interdisciplinary and exploratory research and analysis. To streamline this process, the NASA GeoSciences Interoperability Office (GIO) is developing the NASA Earth-Sun System Gateway (ESG) to enable access to remote geospatial data, imagery, models, and visualizations through open, standard web protocols. The gateway (online

  6. Preliminary Analysis on Heat Removal Capacity of Passive Air-Water Combined Cooling Heat Exchanger Using MARS

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Seung-Sin; Jeon, Seong-Su; Hong, Soon-Joon [FNC Tech, Yongin (Korea, Republic of); Bae, Sung-Won; Kwon, Tae-Soon [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-10-15

    Current design requirement for working time of PAFS heat exchanger is about 8 hours. Thus, it is not satisfied with the required cooling capability for the long term SBO(Station Black-Out) situation that is required to over 72 hours cooling. Therefore PAFS is needed to change of design for 72 hours cooling. In order to acquirement of long terms cooling using PAFS, heat exchanger tube has to be submerged in water tank for long time. However, water in the tank is evaporated by transferred heat from heat exchanger tubes, so water level is gradually lowered as time goes on. The heat removal capacity of air cooling heat exchanger is core parameter that is used for decision of applicability on passive air-water combined cooling system using PAFS in long term cooling. In this study, the development of MARS input model and plant accident analysis are performed for the prediction of the heat removal capacity of air cooling heat exchanger. From analysis result, it is known that inflow air velocity is the decisive factor of the heat removal capacity and predicted air velocity is lower than required air velocity. But present heat transfer model and predicted air velocity have uncertainty. So, if changed design of PAFS that has over 4.6 kW heat removal capacity in each tube, this type heat exchanger can be applied to long term cooling of the nuclear power plant.

  7. Drainage of the air-water-quartz film: experiments and theory.

    Science.gov (United States)

    Manica, Rogerio; Chan, Derek Y C

    2011-01-28

    Experimental results of the kinetics of drainage of the trapped water film between an approaching air bubble and a quartz plate have been analysed using recent theoretical advances in formulating and solving the flow problem in deformable films. Excellent agreement is obtained between experimental data and a model that assumes the bubble-water interface is tangentially immobile in its hydrodynamic response. The coupling between hydrodynamic pressure, disjoining pressure and film deformation is critical in determining the dynamic behaviour of the drainage process. The Reynolds parallel film model that omits the effects of film deformation predicts results that are qualitatively incorrect.

  8. Patterns of a slow air-water flow in a semispherical container

    DEFF Research Database (Denmark)

    Balci, Adnan; Brøns, Morten; Herrada, Miguel A.

    2016-01-01

    This numerical study analyzes the development of eddies in a slow steady axisymmetric air-water flow in a sealed semispherical container, driven by a rotating top disk. As the water height, Hw, increases, new flow cells emerge in both water and air. First, an eddy emerges near the axis-bottom int......This numerical study analyzes the development of eddies in a slow steady axisymmetric air-water flow in a sealed semispherical container, driven by a rotating top disk. As the water height, Hw, increases, new flow cells emerge in both water and air. First, an eddy emerges near the axis...... on the air flow. In contrast to flows in cylindrical and conical containers, there is no interaction with Moffatt corner vortices here....

  9. Numerical simulation of air-water two-phase flow over stepped spillways

    Institute of Scientific and Technical Information of China (English)

    CHENG; Xiangju; CHEN; Yongcan

    2006-01-01

    Stepped spillways for significant energy dissipation along the chute have gained interest and popularity among researchers and dam engineers. Due to the complexity of air-water two-phase flow over stepped spillways, the finite volume computational fluid dynamics module of the FLUENT software was used to simulate the main characteristics of the flow. Adopting the RNG k-ε turbulence model, the mixture flow model for air-water two-phase flow was used to simulate the flow field over stepped spillway with the PISO arithmetic technique. The numerical result successfully reproduced the complex flow over a stepped spillway of an experiment case, including the interaction between entrained air bubbles and cavity recirculation in the skimming flow regime, velocity distribution and the pressure profiles on the step surface as well. The result is helpful for understanding the detailed information about energy dissipation over stepped spillways.

  10. WEXA: exergy analysis for increasing the efficiency of air/water heat pumps - Final report

    Energy Technology Data Exchange (ETDEWEB)

    Gasser, L.; Wellig, B.; Hilfiker, K.

    2008-04-15

    This comprehensive final report for the Swiss Federal Office of Energy (SFOE) presents the results of a study at the made by the Engineering and Architecture department at the Lucerne University of Applied Sciences and Arts. The subject of the WEXA study (Waermepumpen-Exergie-Analyse - heat pump exergy analysis) is the analysis of the operation of air/water heat-pumps using exergy analysis methods. The basic thermodynamics of heating systems using heat-pumps is discussed. The exergy analyses and exergy balances for the various components and processes of an air/water heat-pump are presented and discussed. Comparisons are presented for heat-pumps with on/off and continuous control systems for their compressors and fans. The paper is concluded with a collection of appendices on the subject.

  11. Air-Water Exchange of Legacy and Emerging Organic Pollutants across the Great Lakes

    Science.gov (United States)

    Lohmann, R.; Ruge, Z.; Khairy, M.; Muir, D.; Helm, P.

    2014-12-01

    Organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) are transported to great water bodies via long-range atmospheric transport and released from the surface water as air concentrations continue to diminish. As the largest fresh water bodies in North America, the Great Lakes have both the potential to accumulate and serve as a secondary source of persistent bioaccumulative toxins. OCP and PCB concentrations were sampled at 30+ sites across Lake Superior, Ontario and Erie in the summer of 2011. Polyethylene passive samplers (PEs) were simultaneously deployed in surface water and near surface atmosphere to determine air-water gaseous exchange of OCPs and PCBs. In Lake Superior, surface water and atmospheric concentrations were dominated by α-HCH (average 250 pg/L and 4.2 pg/m3, respectively), followed by HCB (average 17 pg/L and 89 pg/m3, respectively). Air-water exchange varied greatly between sites and individual OCPs, however α-endosulfan was consistently deposited into the surface water (average 19 pg/m2/day). PCBs in the air and water were characterized by penta- and hexachlorobiphenyls with distribution along the coast correlated with proximity to developed areas. Air-water exchange gradients generally yielded net volatilization of PCBs out of Lake Superior. Gaseous concentrations of hexachlorobenzene, dieldrin and chlordanes were significantly higher (p population data was used to explain variability in the atmospheric concentrations. Results indicated that landuse (urban and/or cropland) greatly explained the variability in the data. Freely dissolved concentrations of OCPs (human health from the consumption of fish. Spatial distributions of freely dissolved OCPs in Lakes Erie and Ontario were influenced by loadings from areas of concern and the water circulation patterns. Air-water exchange calculations indicated that the majority of OCPs were volatilizing from the water; therefore the lower Great Lakes were acting as a secondary source to

  12. Liquid mean velocity and turbulence in a horizontal air-water bubbly flow

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The liquid phase turbulent structure of an air-water bubbly horizontal flow in a circular pipe has been investigated experimentally. Three-dimensional measurements were implemented with two "X" type probes oriented in different planes, and local liquid-phase velocities and turbulent stresses were simultaneously obtained. Systematic measurements were conducted covering a range of local void fraction from 0 to 11.7%. The important experiment results and parametric trends are summarized and discussed.

  13. Efficient air-water heat pumps for high temperature lift residential heating, including oil migration aspects

    OpenAIRE

    Zehnder, Michele; Favrat, Daniel

    2005-01-01

    This thesis presents a system approach with the aim to develop improved concepts for small capacity, high temperature lift air-water heat pumps. These are intended to replace fuel fired heating systems in the residential sector, which leads to a major reduction of the local greenhouse gas emissions. Unfavorable temperature conditions set by the existing heat distribution systems and by the use of atmospheric air, as the only accessible heat source, have to be overcome. The proposed concepts a...

  14. Gravity-capillary waves in countercurrent air/water turbulent flow

    Science.gov (United States)

    Zonta, Francesco; Onorato, Miguel; Soldati, Alfredo

    2016-11-01

    Using the Direct Numerical Simulation (DNS) of the Navier-Stokes equations, we analyze the dynamics of the interface between air and water when both phases are driven by opposite pressure gradients (countercurrent configuration). The Reynolds number (Re), the Weber number (We) and the Froude number (Fr) fully describe the physical problem. We examine the problem of the transient growth of interface waves for different combinations of physical parameters. Keeping Re constant and varying We and Fr , we show that, in the initial stages of the wave generation process, the amplitude of the interface elevation grows in time as t2 / 5 . Wavenumber spectra, E (kx) , of the surface elevation in the capillary range are in good agreement with the prediction of the Wave Turbulence Theory. Finally, the wave-induced modification of the average wind and current velocity profiles is addressed. CINECA supercomputing centre (Bologna, Italy) and ISCRA Computing Initiative are gratefully acknowledged for generous allowance of computer resources. Support from PRIN (under Grant 2006098584 004) is gratefully acknowledged. Support from Regione Autonoma.

  15. Interactive Effect of Air-Water Ratio and Temperature on the Air Stripping of Benzene

    Directory of Open Access Journals (Sweden)

    M. E. Abdullahi

    2014-06-01

    Full Text Available High cost of pilot scale studies has led engineers to use simulation to study the factors that affect process performance. This study focuses on the interactive effect of air water ratio and temperature on the removal of volatile organic compounds from polluted water using packed column air stripper taking benzene as a case study. The process governing equations developed based on two-film model of mass transfer were solved using MATLAB and a surface response plot was done. The mass transfer coefficient increased from 0.1237x10-5 to 0.1932x10-5 s-1 as the temperature was raised from 293 to 323 K. Also, the Henry’s constant increased from 228.59 to 883.36 K as the temperature was raised from 293 to 323 K. Benzene removal efficiencies of over 99% were obtained for all combinations of temperature and air-water ratio. The result also indicated that air stripping of benzene from wastewater is most dependent on temperature and moderately on air-water ratio.

  16. Physical modelling and scale effects of air-water flows on stepped spillways

    Institute of Scientific and Technical Information of China (English)

    CHANSON Hubert; GONZALEZ Carlos A.

    2005-01-01

    During the last three decades, the introduction of new construction materials (e.g. RCC (Roller Compacted Concrete),strengthened gabions) has increased the interest for stepped channels and spillways. However stepped chute hydraulics is not simple, because of different flow regimes and importantly because of very-strong interactions between entrained air and turbulence. In this study, new air-water flow measurements were conducted in two large-size stepped chute facilities with two step heights in each facility to study experimental distortion caused by scale effects and the soundness of result extrapolation to prototypes. Experimental data included distributions of air concentration, air-water flow velocity, bubble frequency, bubble chord length and air-water flow turbulence intensity. For a Froude similitude, the results implied that scale effects were observed in both facilities, although the geometric scaling ratio was only Lr=2 in each case. The selection of the criterion for scale effects is a critical issue. For example, major differences (i.e. scale effects) were observed in terms of bubble chord sizes and turbulence levels although little scale effects were seen in terms of void fraction and velocity distributions. Overall the findings emphasize that physical modelling of stepped chutes based upon a Froude similitude is more sensitive to scale effects than classical smooth-invert chute studies, and this is consistent with basic dimensional analysis developed herein.

  17. Characteristics of drift-flux models for the 3' diameter vertical-upward air-water flow condition

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, V. T.; Euh, D. J.; Song, C. H. [KAERI, Daejeon (Korea, Republic of)

    2009-07-01

    One of the more complex aspects of two-phase flow calculations is the determination of the void fraction. An accurate estimation of this parameter is important for understanding and predicting the behavior of systems during a wide variety of transient conditions. The drift-flux models are based on correlations to compute the void fraction distribution and slip in a two-phase flow needed to obtain the relative velocity between the phases. Thus, the accuracy of the correlation has a decisive role in determining the correct transport of the two-phases in the system. In this paper, the assessment of 7 correlations based on the Zuber-Findlay model has been done by using the experimental data which were performed on the 3' diameter vertical-upward air-water test facility in KAERI. The void fraction was measured by using the impedance void meter which has a good dynamic resolution to get the values directly without any further data treatment. A total of 28 flow conditions have been performed at 2 bar and 3 bar inlet pressure conditions with temperature of 30 .deg. C, superficial liquid and gas velocity range of 0.5-2.8 m/s and 0.044-1.025 m/s. Some physical phenomena relevant to inlet flow condition and pressure effect were investigated. The results of assessment show a good predictive capability of Bestion model, which is currently used in the system code CATHARE.

  18. Prediction of hot spot residues at protein-protein interfaces by combining machine learning and energy-based methods

    Directory of Open Access Journals (Sweden)

    Pontil Massimiliano

    2009-10-01

    Full Text Available Abstract Background Alanine scanning mutagenesis is a powerful experimental methodology for investigating the structural and energetic characteristics of protein complexes. Individual amino-acids are systematically mutated to alanine and changes in free energy of binding (ΔΔG measured. Several experiments have shown that protein-protein interactions are critically dependent on just a few residues ("hot spots" at the interface. Hot spots make a dominant contribution to the free energy of binding and if mutated they can disrupt the interaction. As mutagenesis studies require significant experimental efforts, there is a need for accurate and reliable computational methods. Such methods would also add to our understanding of the determinants of affinity and specificity in protein-protein recognition. Results We present a novel computational strategy to identify hot spot residues, given the structure of a complex. We consider the basic energetic terms that contribute to hot spot interactions, i.e. van der Waals potentials, solvation energy, hydrogen bonds and Coulomb electrostatics. We treat them as input features and use machine learning algorithms such as Support Vector Machines and Gaussian Processes to optimally combine and integrate them, based on a set of training examples of alanine mutations. We show that our approach is effective in predicting hot spots and it compares favourably to other available methods. In particular we find the best performances using Transductive Support Vector Machines, a semi-supervised learning scheme. When hot spots are defined as those residues for which ΔΔG ≥ 2 kcal/mol, our method achieves a precision and a recall respectively of 56% and 65%. Conclusion We have developed an hybrid scheme in which energy terms are used as input features of machine learning models. This strategy combines the strengths of machine learning and energy-based methods. Although so far these two types of approaches have mainly been

  19. Improving predictions of protein-protein interfaces by combining amino acid-specific classifiers based on structural and physicochemical descriptors with their weighted neighbor averages.

    Directory of Open Access Journals (Sweden)

    Fábio R de Moraes

    Full Text Available Protein-protein interactions are involved in nearly all regulatory processes in the cell and are considered one of the most important issues in molecular biology and pharmaceutical sciences but are still not fully understood. Structural and computational biology contributed greatly to the elucidation of the mechanism of protein interactions. In this paper, we present a collection of the physicochemical and structural characteristics that distinguish interface-forming residues (IFR from free surface residues (FSR. We formulated a linear discriminative analysis (LDA classifier to assess whether chosen descriptors from the BlueStar STING database (http://www.cbi.cnptia.embrapa.br/SMS/ are suitable for such a task. Receiver operating characteristic (ROC analysis indicates that the particular physicochemical and structural descriptors used for building the linear classifier perform much better than a random classifier and in fact, successfully outperform some of the previously published procedures, whose performance indicators were recently compared by other research groups. The results presented here show that the selected set of descriptors can be utilized to predict IFRs, even when homologue proteins are missing (particularly important for orphan proteins where no homologue is available for comparative analysis/indication or, when certain conformational changes accompany interface formation. The development of amino acid type specific classifiers is shown to increase IFR classification performance. Also, we found that the addition of an amino acid conservation attribute did not improve the classification prediction. This result indicates that the increase in predictive power associated with amino acid conservation is exhausted by adequate use of an extensive list of independent physicochemical and structural parameters that, by themselves, fully describe the nano-environment at protein-protein interfaces. The IFR classifier developed in this study

  20. Improving predictions of protein-protein interfaces by combining amino acid-specific classifiers based on structural and physicochemical descriptors with their weighted neighbor averages.

    Science.gov (United States)

    de Moraes, Fábio R; Neshich, Izabella A P; Mazoni, Ivan; Yano, Inácio H; Pereira, José G C; Salim, José A; Jardine, José G; Neshich, Goran

    2014-01-01

    Protein-protein interactions are involved in nearly all regulatory processes in the cell and are considered one of the most important issues in molecular biology and pharmaceutical sciences but are still not fully understood. Structural and computational biology contributed greatly to the elucidation of the mechanism of protein interactions. In this paper, we present a collection of the physicochemical and structural characteristics that distinguish interface-forming residues (IFR) from free surface residues (FSR). We formulated a linear discriminative analysis (LDA) classifier to assess whether chosen descriptors from the BlueStar STING database (http://www.cbi.cnptia.embrapa.br/SMS/) are suitable for such a task. Receiver operating characteristic (ROC) analysis indicates that the particular physicochemical and structural descriptors used for building the linear classifier perform much better than a random classifier and in fact, successfully outperform some of the previously published procedures, whose performance indicators were recently compared by other research groups. The results presented here show that the selected set of descriptors can be utilized to predict IFRs, even when homologue proteins are missing (particularly important for orphan proteins where no homologue is available for comparative analysis/indication) or, when certain conformational changes accompany interface formation. The development of amino acid type specific classifiers is shown to increase IFR classification performance. Also, we found that the addition of an amino acid conservation attribute did not improve the classification prediction. This result indicates that the increase in predictive power associated with amino acid conservation is exhausted by adequate use of an extensive list of independent physicochemical and structural parameters that, by themselves, fully describe the nano-environment at protein-protein interfaces. The IFR classifier developed in this study is now

  1. Ecosystem Metabolism and Air-Water Fluxes of Greenhouse Gases in High Arctic Wetland Ponds

    Science.gov (United States)

    Lehnherr, I.; Venkiteswaran, J.; St. Louis, V. L.; Emmerton, C.; Schiff, S. L.

    2012-12-01

    Freshwater lakes and wetlands can be very productive systems on the Arctic landscape compared to terrestrial tundra ecosystems and provide valuable resources to many organisms, including waterfowl, fish and humans. Rates of ecosystem productivity dictate how much energy flows through food webs, impacting the abundance of higher-level organisms (e.g., fish), as well as the net carbon balance, which determines whether a particular ecosystem is a source or sink of carbon. Climate change is predicted to result in warmer temperatures, increased precipitation and permafrost melting in the Arctic and is already altering northern ecosystems at unprecedented rates; however, it is not known how freshwater systems are responding to these changes. To predict how freshwater systems will respond to complex environmental changes, it is necessary to understand the key processes, such as primary production and ecosystem respiration, that are driving these systems. We sampled wetland ponds (n=8) and lakes (n=2) on northern Ellesmere Island (81° N, Nunavut, Canada) during the open water season for a suite of biogeochemical parameters, including concentrations of dissolved gases (O2, CO2, CH4, N2O) as well as stable-isotope ratios of dissolved inorganic carbon (δ13C-DIC), dissolved oxygen (δ18O-DO), and water (δ18O-H2O). We will present rates of primary production and ecosystem respiration, modeled from the concentration and stable isotope ratios of DIC and DO, as well as air-water gas exchange of greenhouse gases in these high Arctic ponds and lakes. Preliminary results demonstrate that ecosystem metabolism in these ponds was high enough to result in significant deviations in the isotope ratios of DIC and DO from atmospheric equilibrium conditions. In other words ecosystem rates of primary production and respiration were faster than gas exchange even in these small, shallow, well-mixed ponds. Furthermore, primary production was elevated enough at all sites except Lake Hazen, a

  2. Interaction between heterogeneous environmental quality domains (air, water, land, socio-demographic and built environment) on preterm birth.

    Science.gov (United States)

    Environmental exposures are often measured individually, though many occur in tandem. To address aggregate exposures, a county-level Environmental Quality Index (EQI) representing five environmental domains (air, water, land, built and sociodemographic) was constructed. Recent st...

  3. Investigations of hydraulic operating conditions of air lift pump with three types of air-water mixers

    Directory of Open Access Journals (Sweden)

    Kalenik Marek

    2015-03-01

    Full Text Available Investigations of hydraulic operating conditions of air lift pump with three types of air-water mixers. The paper presents the analysis of results of the investigations concerning the influence of various constructive solutions of the air-water mixers on hydraulic operating conditions of the air lift pump. The scope of the investigations encompassed the determination of characteristics of delivery head and delivery rate for three types of air-water mixers applied in the constructed air lift pump. Using the obtained results, the efficiency of the three types of air-water mixers applied in this air lift pump was determined. The analysis was carried out and there was checked whether the improved analytical Stenning-Martin model can be used to design air lift pumps with the air-water mixers of these types. The highest capacity in the water transport was reached by the air lift pump with the 1st type air-water mixer, the lowest one – with the 3rd type air-water mixer. The water flow in the air lift pump increases along with the rise in the air flow. The lower are the hydraulic losses generated during flow of the air flux by the air-water mixer, the higher is the air lift pump capacity. Along with the rise in the water delivery head, the capacity of the air lift pump decreases. The highest efficiency is reached by the air lift pump with the 1st type air-water mixer, the lowest – with the 3st type air-water mixer. The efficiency of the air lift pump for the three investigated types of air-water mixers decreases along with the rise in air flow rate and water delivery head. The values of submergence ratio (h/L of the delivery pipe, calculated with the use of the improved analytical Stenning-Martin model, coincide quite well with the values of h/L determined from the measurements.

  4. Prediction of fracture parameters of circumferential through-wall cracks in the interface between an elbow and a pipe under internal pressure

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Youn Young; Huh, Nam Su [Dept. of Mechanical System Design Engineering, Seoul National Univ. of Science and Technology, Seoul (Korea, Republic of); Jeong, Jae Uk [Doosan Heavy Industries and Construction, Changwon (Korea, Republic of)

    2016-09-15

    This paper provides plastic influence functions of GE/EPRI method for calculating J and Crack opening displacement (COD) of pipes with a circumferential Through-wall crack (TWC) in the interface between an elbow and a straight pipe by using 3-dimensional (3-D) elastic-plastic finite element analyses for Ramberg-Osgood (R-O) materials, in which internal pressure was considered as a loading condition. The proposed plastic influence functions are tabulated as a function of the pipe geometries, crack length and strain hardening exponent. In order to provide sufficient confidence for the proposed plastic influence functions, the estimation scheme using the proposed plastic influence functions for J and COD of cracked elbows was validated against FE results using R-O parameters for the SA312 TP316 stainless steel. Moreover, the predicted J and COD for elbows with a TWC in the interface between an elbow and a pipe by the proposed scheme were compared with those for cracked straight pipes to investigate the effect of the elbow geometries on crack behavior of elbows. One important point is that crack behaviors in the interface between an elbow and a straight pipe can be significantly different with those in straight pipes according to pipe thickness, crack length and bend radius of elbows. Thus, the proposed plastic influence functions can be useful to predict accurate J and COD for cracked elbows.

  5. Atmospheric emissions from the Deepwater Horizon spill constrain air-water partitioning, hydrocarbon fate, and leak rate

    Science.gov (United States)

    Ryerson, T. B.; Aikin, K. C.; Angevine, W. M.; Atlas, E. L.; Blake, D. R.; Brock, C. A.; Fehsenfeld, F. C.; Gao, R.-S.; de Gouw, J. A.; Fahey, D. W.; Holloway, J. S.; Lack, D. A.; Lueb, R. A.; Meinardi, S.; Middlebrook, A. M.; Murphy, D. M.; Neuman, J. A.; Nowak, J. B.; Parrish, D. D.; Peischl, J.; Perring, A. E.; Pollack, I. B.; Ravishankara, A. R.; Roberts, J. M.; Schwarz, J. P.; Spackman, J. R.; Stark, H.; Warneke, C.; Watts, L. A.

    2011-04-01

    The fate of deepwater releases of gas and oil mixtures is initially determined by solubility and volatility of individual hydrocarbon species; these attributes determine partitioning between air and water. Quantifying this partitioning is necessary to constrain simulations of gas and oil transport, to predict marine bioavailability of different fractions of the gas-oil mixture, and to develop a comprehensive picture of the fate of leaked hydrocarbons in the marine environment. Analysis of airborne atmospheric data shows massive amounts (˜258,000 kg/day) of hydrocarbons evaporating promptly from the Deepwater Horizon spill; these data collected during two research flights constrain air-water partitioning, thus bioavailability and fate, of the leaked fluid. This analysis quantifies the fraction of surfacing hydrocarbons that dissolves in the water column (˜33% by mass), the fraction that does not dissolve, and the fraction that evaporates promptly after surfacing (˜14% by mass). We do not quantify the leaked fraction lacking a surface expression; therefore, calculation of atmospheric mass fluxes provides a lower limit to the total hydrocarbon leak rate of 32,600 to 47,700 barrels of fluid per day, depending on reservoir fluid composition information. This study demonstrates a new approach for rapid-response airborne assessment of future oil spills.

  6. Contact angle-based predictive model for slip at the solid-liquid interface of a transverse-shear mode acoustic wave device

    Science.gov (United States)

    Ellis, Jonathan S.; McHale, Glen; Hayward, Gordon L.; Thompson, Michael

    2003-11-01

    We have revisited the Blake-Tolstoi theory [Coll. Surf. 47, 135 (1990)] for molecular and hydrodynamic slip and applied it to the fundamental description of acoustic wave devices coupled to a liquid of finite thickness. The aim is to provide a framework for a predictive model for slip, based on surface-liquid interactions and contact angle. This theory provides a description of slip that links hydrodynamic boundary slip to a schematic, molecular description involving the wettability of the liquid-solid interface. We redevelop the model, using current acoustic sensors notation, then evaluate its qualitative behavior as a predictive model for slip length in the context of acoustic wave devices. Finally, we discuss the limitations of the model and consider the advantages of a predictive model for boundary slip.

  7. Determining Spatial Distribution And Air-Water Exchange Of Polycyclic Aromatic Hydrocarbons In Stormwater Runoff Catchment Basins

    Science.gov (United States)

    Kasaraneni, V. K.; Schifman, L. A.; Craver, V.; Boving, T. B.

    2014-12-01

    Stormwater runoff is a conduit for several pollutants such as polycyclic aromatic hydrocarbons (PAHs) in to surface and ground water bodies. The control of runoff and pollutants is typically addressed by best management practices (BMPs), such as retention/detention ponds or catchment basins in general. The effectiveness of catchment basins in reducing the volume of runoff and removal of some contaminants has been established. However, very little is known about the fate of the contaminants settled within these structures. In coastal regions and places with shallow groundwater tables accumulation of high concentrations of PAHs in the bottom sediments poses a potential threat for groundwater contamination. The concentrations of PAHs accumulated in the sediments of these catchment basins will primarily depend on the sources of runoff origin and the surrounding land use. Due to the physico-chemical characteristics of PAHs, their transport not only can occur in the liquid and solid phase, but it is also possible that gaseous emissions can be produced from BMP systems. For the purpose of this study, five stormwater catchment basins along the I-95 corridor in Rhode Island were selected based on the stormwater runoff origin and covering (industrial, urban, highway, and commercial) land uses. To study the stratification of PAHs sediment cores one foot were collected and analyzed for 31PAHs (16 EPA parent PAH and 15 methylated PAHs). In order to determine whether the catchment basins are a source of atmospheric pollution polyethylene passive samplers were deployed to determine the freely dissolved PAHs in the water column and gas phase PAHs at the air-water interface. This presentation will describe how PAH fluxes move between three environmental compartments (sediments, water column, atmosphere) within the five stormwater catchment basins. Further, it will be investigated whether these BMP structures can act as contaminant sources rather than sinks and whether BMP

  8. Finite Element Methods and Multiphase Continuum Theory for Modeling 3D Air-Water-Sediment Interactions

    Science.gov (United States)

    Kees, C. E.; Miller, C. T.; Dimakopoulos, A.; Farthing, M.

    2016-12-01

    The last decade has seen an expansion in the development and application of 3D free surface flow models in the context of environmental simulation. These models are based primarily on the combination of effective algorithms, namely level set and volume-of-fluid methods, with high-performance, parallel computing. These models are still computationally expensive and suitable primarily when high-fidelity modeling near structures is required. While most research on algorithms and implementations has been conducted in the context of finite volume methods, recent work has extended a class of level set schemes to finite element methods on unstructured methods. This work considers models of three-phase flow in domains containing air, water, and granular phases. These multi-phase continuum mechanical formulations show great promise for applications such as analysis of coastal and riverine structures. This work will consider formulations proposed in the literature over the last decade as well as new formulations derived using the thermodynamically constrained averaging theory, an approach to deriving and closing macroscale continuum models for multi-phase and multi-component processes. The target applications require the ability to simulate wave breaking and structure over-topping, particularly fully three-dimensional, non-hydrostatic flows that drive these phenomena. A conservative level set scheme suitable for higher-order finite element methods is used to describe the air/water phase interaction. The interaction of these air/water flows with granular materials, such as sand and rubble, must also be modeled. The range of granular media dynamics targeted including flow and wave transmision through the solid media as well as erosion and deposition of granular media and moving bed dynamics. For the granular phase we consider volume- and time-averaged continuum mechanical formulations that are discretized with the finite element method and coupled to the underlying air/water

  9. Sensitivity study of poisson corruption in tomographic measurements for air-water flows

    Energy Technology Data Exchange (ETDEWEB)

    Munshi, P. (Fraunhofer Institute for Nondestructive Testing, Saarbrucken (Germany)); Vaidya, M.S. (Indian Institute of Technology, Kanpur (India))

    1993-01-01

    An application of computerized tomography (CT) for measuring void fraction profiles in two-phase air-water flows was reported earlier. Those attempts involved some special radial methods for tomographic reconstruction and the popular convolution backprojection (CBP) method. The CBP method is capable of reconstructing void profiles for nonsymmetric flows also. In this paper, we investigate the effect of corrupted CT data for gamma-ray sources and aCBP algorithm. The corruption in such a case is due to the statistical (Poisson) nature of the source.

  10. The interaction energies of cholesterol and lecithin in spread mixed monolayers at the air-water interface

    NARCIS (Netherlands)

    Joos, P.; Demel, R.A.

    1969-01-01

    1. 1. The interaction between dilauroyl lecithin, diundecyloyl lecithin, didecanoyl lecithin and dinonanoyl lecithin with cholesterol was investigated using the Goodrich method. No interaction with cholesterol was found for dinonanoyl lecithin, while with didecanoyl lecithin small effects could be

  11. Polysaccharide charge density regulating protein adsorption to air/water interfaces by protein/polysaccharide complex formation

    NARCIS (Netherlands)

    Ganzevles, R.A.; Kosters, H.; Vliet, T. van; Stuart, M.A.C.; Jongh, H.H.J. de

    2007-01-01

    Because the formation of protein/polysaccharide complexes is dominated by electrostatic interaction, polysaccharide charge density is expected to play a major role in the adsorption behavior of the complexes. In this study, pullulan (a non-charged polysaccharide) carboxylated to four different

  12. Impact of aluminum on the oxidation of lipids and enzymatic lipolysis in monomolecular films at the air/water interface.

    Science.gov (United States)

    Corvis, Yohann; Korchowiec, Beata; Brezesinski, Gerald; Follot, Sébastien; Rogalska, Ewa

    2007-03-13

    There is evidence that serious pathologies are associated with aluminum (Al). In the present work, the influence of Al on enzymatic lipolysis was studied with the aim to get more insight into the possible link between the Al-induced membrane modification and the cytotoxicity of the trivalent cation (AlIII). Lipid monolayers were used as model membranes. The monomolecular film technique allowed monitoring the Al-dependent modifications of the lipid monolayer properties and enzyme kinetics. Two enzymes, namely, Candida rugosa lipase and a calcium (CaII)-dependent phospholipase A2 from porcine pancreas, were used to catalyze the lipolysis of triglyceride and phosphoglyceride monolayers, respectively. The results obtained show that Al modifies both the monolayer structure and enzymatic reaction rates. While the enzymes used in this study can be considered as probes detecting lipid membrane properties, it cannot be excluded that in physiological conditions modulation of the enzyme action by the Al-bound membranes is among the reasons for Al toxicity.

  13. Preparation of Langmuir-Blodgett Film of Oligophenylenevinylene at the Air/Water Interface and Study on its Fluorescence

    Institute of Scientific and Technical Information of China (English)

    Kai HUANG; Li Chuan MA; Hao Fei GONG

    2006-01-01

    Methoxy groups is favorable for film-forming property of oligophenylenevinylenes (OPVs) and the Langmuir-Blodgett film of 1,4-bis (3,4,5-trimethoxystyryl)-2,5-dimethoxybenzene (MOPV) was prepared. It might be the formation of H-aggregate of MOPV in the LB film that results in a 57 nm blue shift of λmax for the absorption and a 58 nm red shift of λmax for the fluorescence, respectively.

  14. Monolayer behaviour of chiral compounds at the air-water interface: 4-hexadecyloxy-butane-1,2-diol

    DEFF Research Database (Denmark)

    Rietz, R.; Rettig, W.; Brezesinski, G.;

    1996-01-01

    . The isotherms depend only slightly on chirality. Above the transition pressure pi(c) condensed domains with a polygonal shape are formed. In all cases the domains start to destabilize from the notch. The branches of the S-enantiomer turn only clockwise, whereas domains of the mixtures show branches which turn...

  15. Nanostructure of polymer monolayer and polyelectrolyte brush at air/water interface by X-ray and neutron reflectometry

    CERN Document Server

    Matsuoka, H; Matsumoto, K

    2003-01-01

    The nanostructure of amphiphilic diblock copolymer monolayer on water was directly investigated by in situ X-ray and neutron reflectivity techniques. The diblock copolymer consists of polysilacyclobutane, which is very flexible, as a hydrophobic block and polymethacrylic acid, an anionic polymer, as a hydrophilic block. The polymers with shorter hydrophilic segment formed a very smooth and uniform monolayer with hydrophobic layer on water and dense hydrophilic layer under the water. But the longer hydrophilic segment polymer formed three-layered monolayer with polyelectrolyte brush in addition to hydrophobic and dense hydrophilic layers. The dense hydrophilic layer is thought to be formed to avoid a contact between hydrophobic polymer layer and water. Its role is something like a 'carpet'. An additional interesting information is that the thickness of the 'carpet layer' is almost 15A, independent the surface pressure and hydrophilic polymer length. Highly quantitative information was obtained about the nanost...

  16. Structural Characterization of Self-Organized Mono- and Multilayers of Partly Fluorinated Polydialkoxyphosphazenes at the Air/Water Interface

    Directory of Open Access Journals (Sweden)

    Buzin A.I.

    2017-01-01

    Full Text Available We report studies of the collapse of monolayers of mesomorphic poly[bis-(2,2,3,3,4,4,5,5-octafluo-ropentoxyphosphazene] and poly[bis-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxyphosphazene]. The structure of the films has been examined at different stages of the collapse process by synchrotron grazing incidence X-ray diffraction. Surface pressure–surface area isotherms show that these films undergo a stepwise collapse with formation of multilayers. Grazing incidence X-ray diffraction reveals only one diffraction peak for the monolayer as well as for multilayers of the two polymers studied, which corresponds to an in-plane interchain spacing d = 15.2±0.1°Å and 17.6±0.5°Å, respectively. The in-plane correlation length ξxy reaches ca. 500 Å for PFP-C5 (33 macromolecules and ca. 400 Å for PFP-C7 (23 macromolecules, implying a certain mesoscale order similar to a quasi-long-range one.

  17. Modification of β-lactoglobulin by oligofructose: Impact on protein adsorption at the air-water interface

    NARCIS (Netherlands)

    Trofimova, D.; Jongh, H.H.J.de

    2004-01-01

    Maillard products of β-lactoglobulin (βLg) and fructose oligosaccharide (FOS) were obtained in different degrees of modification depending on incubation time and pH. By use of a variety of biochemical and spectroscopic tools, it was demonstrated that the modification at limited degrees does not sign

  18. Carbon-foam finned tubes in air-water heat exchangers

    Energy Technology Data Exchange (ETDEWEB)

    Yu Qijun [Department of Mechanical and Materials Engineering, University of Western Ontario, London, ON, N6A 5B8 (Canada)]. E-mail: qyu4@eng.uwo.ca; Straatman, Anthony G. [Department of Mechanical and Materials Engineering, University of Western Ontario, London, ON, N6A 5B8 (Canada)]. E-mail: astraatman@eng.uwo.ca; Thompson, Brian E. [Department of Mechanical Engineering, University of Ottawa, Ottawa, ON, K1N 6N5 (Canada)]. E-mail: thompson@eng.uottawa.ca

    2006-02-01

    An engineering model is formulated to account for the effects of porosity and pore diameter on the hydrodynamic and thermal performance of a carbon-foam finned tube heat exchanger. The hydrodynamic and thermal resistances are obtained from well-established correlations that are extended herein to account for the influence of the porous carbon foam. The influence of the foam is characterized on the basis of a unit-cube geometric model that describes the internal structure, the exposed surface, the permeability and the effective conductivity as a function of porosity and pore diameter. The engineering model is validated by comparison with experiments that characterize heat transfer in an air-water radiator made from porous carbon foam. The model is also used in to conduct a parametric study to show the influence of the porosity and pore diameter of the foam. The parametric study suggests that in comparison to conventional aluminum finned-tube radiators, improvements of approximately 15% in thermal performance are possible without changing the frontal area, or the air flow rate and pressure drop. The engineering model developed herein can be used by engineers to assess quantitatively the suitability of porous carbon foam as a fin material in the design of air-water heat exchangers.

  19. Carbon-foam finned tubes in air-water heat exchangers

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Qijun; Straatman, Anthony G. [Department of Mechanical and Materials Engineering, The University of Western Ontario, London, ON (Canada); Thompson, Brian E. [Department of Mechanical Engineering, The University of Ottawa, Ottawa, ON (Canada)

    2006-02-01

    An engineering model is formulated to account for the effects of porosity and pore diameter on the hydrodynamic and thermal performance of a carbon-foam finned tube heat exchanger. The hydrodynamic and thermal resistances are obtained from well-established correlations that are extended herein to account for the influence of the porous carbon foam. The influence of the foam is characterized on the basis of a unit-cube geometric model that describes the internal structure, the exposed surface, the permeability and the effective conductivity as a function of porosity and pore diameter. The engineering model is validated by comparison with experiments that characterize heat transfer in an air-water radiator made from porous carbon foam. The model is also used in to conduct a parametric study to show the influence of the porosity and pore diameter of the foam. The parametric study suggests that in comparison to conventional aluminum finned-tube radiators, improvements of approximately 15% in thermal performance are possible without changing the frontal area, or the air flow rate and pressure drop. The engineering model developed herein can be used by engineers to assess quantitatively the suitability of porous carbon foam as a fin material in the design of air-water heat exchangers. (author)

  20. Two-phase air-water flows:Scale effects in physical modeling

    Institute of Scientific and Technical Information of China (English)

    PFISTER Michael; CHANSON Hubert

    2014-01-01

    Physical modeling represents probably the oldest design tool in hydraulic engineering together with analytical approaches. In free surface flows, the similitude based upon a Froude similarity allows for a correct representation of the dominant forces, namely gravity and inertia. As a result fluid flow properties such as the capillary forces and the viscous forces might be incorrectly reproduced, affecting the air entrainment and transport capacity of a high-speed model flow. Small physical models operating under a Froude similitude systematically underestimate the air entrainment rate and air-water interfacial properties. To limit scale effects, minimal values of Reynolds or Weber number have to be respected. The present article summarizes the physical background of such limitations and their combination in terms of the Morton number. Based upon a literature review, the existing limits are presented and discussed, resulting in a series of more conservative recommendations in terms of air concentration scaling. For other air-water flow parameters, the selection of the criteria to assess scale effects is critical because some parameters (e.g., bubble sizes, turbulent scales) can be affected by scale effects, even in relatively large laboratory models.

  1. BER and FER Prediction of Control and Traffic Channels for a GSM type of interface

    DEFF Research Database (Denmark)

    Wigard, Jeroen; Nielsen, Thomas Toftegaard; Michaelsen, Per Henrik

    1998-01-01

    Performance analysis of a mobile communications system is often done separately at network and at link level. It is difficult to study a modern mobile communications system like GSM analytically, due to the complexity. Hence simulations are used. It is desirable to include all link aspects...... in a network simulator, but without having to simulate every single link, since this would be to time consuming. In this paper a method is presented to find the BER and FER from the signal to interference (C/I) values for a GSM type of air-interface, which can be used for integration of link aspects...

  2. Development of a model capable of predicting the performance of piston ring-cylinder liner-like tribological interfaces

    DEFF Research Database (Denmark)

    Felter, C.L.; Vølund, A.; Imran, Tajammal

    2010-01-01

    on a measured temperature only; thus, it is not necessary to include the energy equation. Conservation of oil is ensured throughout the domain by considering the amount of oil outside the lubricated interface. A model for hard contact through asperities is also included. Second, a laboratory-scale test rig....... The work described in this article addresses the subject from both an experimental and a theoretical perspective. First, a one-dimensional numerical model based on the Reynolds equation is presented. It uses a pressure-density relation for the modelling of cavitation. The viscosity is assumed to depend...

  3. Root-soil air gap and resistance to water flow at the soil-root interface of Robinia pseudoacacia.

    Science.gov (United States)

    Liu, X P; Zhang, W J; Wang, X Y; Cai, Y J; Chang, J G

    2015-12-01

    During periods of water deficit, growing roots may shrink, retaining only partial contact with the soil. In this study, known mathematical models were used to calculate the root-soil air gap and water flow resistance at the soil-root interface, respectively, of Robinia pseudoacacia L. under different water conditions. Using a digital camera, the root-soil air gap of R. pseudoacacia was investigated in a root growth chamber; this root-soil air gap and the model-inferred water flow resistance at the soil-root interface were compared with predictions based on a separate outdoor experiment. The results indicated progressively greater root shrinkage and loss of root-soil contact with decreasing soil water potential. The average widths of the root-soil air gap for R. pseudoacacia in open fields and in the root growth chamber were 0.24 and 0.39 mm, respectively. The resistance to water flow at the soil-root interface in both environments increased with decreasing soil water potential. Stepwise regression analysis demonstrated that soil water potential and soil temperature were the best predictors of variation in the root-soil air gap. A combination of soil water potential, soil temperature, root-air water potential difference and soil-root water potential difference best predicted the resistance to water flow at the soil-root interface.

  4. A three-scale homogenisation approach to the prediction of long-time absorption of radiation induced interstitials by nanovoids at interfaces

    Science.gov (United States)

    Zhu, Yichao; Wang, Jian; Xiang, Yang; Guo, Xu

    2017-08-01

    Various nanoscale materials that contain high density of interfaces highlight an optimistic perspective of discovering radiation tolerant materials. However, given the huge dimensional contrast between the core structural components of nuclear reactors and many nanoscale treatments for improving materials radiation resistance, the corresponding predictive models are required to possess a delicate balance between resolution and efficiency. Motivated by this, a three-scale homogenisation scheme is introduced in this article, and a continuum model for the long-time interstitial-sink behaviour at interfaces is derived with all important nanoscopic parameters and mechanisms properly retained. Compared with the existing works alike, the derived model shows its advantage in at least two aspects. First, it incorporates the collective effect of multiple sinks on interstitial migration which is not fully taken into account in conventional works, and the accuracy of the continuum description to the underlying mechanisms is thus improved substantially. Second, the derived model naturally formulates a sink saturation condition under which sinks no longer absorb point defects. The present work originates from developing a long-time predictive model for a recent proposal for improving the radiation tolerance of materials by Chen et al. (2015), and the derived three-scale homogenisation approach can be naturally generalised to model the collective behaviour of other types of sink-defect interactions.

  5. Theoretical prediction of energy release rate for interface crack initiation by thermal stress in environmental barrier coatings for ceramics

    Science.gov (United States)

    Kawai, E.; Umeno, Y.

    2017-05-01

    As weight reduction of turbines for aircraft engines is demanded to improve fuel consumption and curb emission of carbon dioxide, silicon carbide (SiC) fiber reinforced SiC matrix composites (SiC/SiC) are drawing enormous attention as high-pressure turbine materials. For preventing degradation of SiC/SiC, environmental barrier coatings (EBC) for ceramics are deposited on the composites. The purpose of this study is to establish theoretical guidelines for structural design which ensures the mechanical reliability of EBC. We conducted finite element method (FEM) analysis to calculate energy release rates (ERRs) for interface crack initiation due to thermal stress in EBC consisting of Si-based bond coat, Mullite and Ytterbium (Yb)-silicate layers on a SiC/SiC substrate. In the FEM analysis, the thickness of one EBC layer was changed from 25 μm to 200 μm while the thicknesses of the other layers were fixed at 25 μm, 50 μm and 100 μm. We compared ERRs obtained by the FEM analysis and a simple theory for interface crack in a single-layered structure where ERR is estimated as nominal strain energy in the coating layers multiplied by a constant factor (independent of layer thicknesses). We found that, unlike the case of single-layered structures, the multiplication factor is no longer a constant but is determined by the combination of consisting coating layer thicknesses.

  6. The effect of bubbles on air-water oxygen transfer in the breaker zone

    Science.gov (United States)

    Kakuno, Shohachi; Moog, Douglas B.; Tatekawa, Tetsuya; Takemura, Kenji; Yamagishi, Tatsuya

    The effect of bubbles entrained in the breaker zone on air-water oxygen transfer is examined. First, the area of bubbles entrained by breakers generated on a sloping bottom in a wave tank is analyzed using a color image sensor which can count the pixel number of a specific color in a frame. It was found that the time-averaged pixel number over a wave period has a strong relationship to the energy dissipation rate per unit mass of the breaker. The time-averaged pixel number is then incorporated with some modification into an equation proposed by Eckenfelder for the calculation of the mass transfer coefficient from bubble surfaces in an aeration tank. The coefficient resulting from the modified equation shows a strong relationship between the mass transfer coefficient and the dissipation rate.

  7. Interfacial structures of confined air-water two-phase bubbly flow

    Energy Technology Data Exchange (ETDEWEB)

    Kim, S.; Ishii, M.; Wu, Q.; McCreary, D.; Beus, S.G.

    2000-08-01

    The interfacial structure of the two-phase flows is of great importance in view of theoretical modeling and practical applications. In the present study, the focus is made on obtaining detailed local two-phase parameters in the air-water bubbly flow in a rectangular vertical duct using the double-sensor conductivity probe. The characteristic wall-peak is observed in the profiles of the interracial area concentration and the void fraction. The development of the interfacial area concentration along the axial direction of the flow is studied in view of the interfacial area transport and bubble interactions. The experimental data is compared with the drift flux model with C{sub 0} = 1.35.

  8. Two-photon excitation of surface plasmon and the period-increasing effect of low spatial frequency ripples on a GaP crystal in air/water

    Science.gov (United States)

    Liu, Jukun; Jia, Tianqing; Zhao, Hongwei; Huang, Yaoqing

    2016-11-01

    We report the period-increasing effect of low spatial frequency ripples on a GaP crystal irradiated by 1 kHz, 50 fs, 800 nm femtosecond laser pulses. Massive free electrons are excited by a two-photon absorption process and surface plasmon is excited. The Drude model is used to estimate the changing of the dielectric constant of the GaP crystal. The period-increasing effects of low spatial frequency laser-induced ripples are theoretically predicted in air/water, and the experimental results agree well. The experimental and theoretical results indicate that surface plasmon excited by two-photon absorption plays a key role in the formation of low spatial frequency ripples.

  9. Kinetic Interface

    DEFF Research Database (Denmark)

    2009-01-01

    A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises.......A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises....

  10. Application of an interface failure model to predict fatigue crack growth in an implanted metallic femoral stem.

    Science.gov (United States)

    Chen, J; Browne, M; Taylor, M; Gregson, P J

    2004-03-01

    A novel computational modelling technique has been developed for the prediction of crack growth in load bearing orthopaedic alloys subjected to fatigue loading. Elastic-plastic fracture mechanics has been used to define a three-dimensional fracture model, which explicitly models the opening, sliding and tearing process. This model consists of 3D nonlinear spring elements implemented in conjunction with a brittle material failure function, which is defined by the fracture energy for each nonlinear spring element. Thus, the fracture energy criterion is implicit in the brittle material failure function to search for crack initiation and crack development automatically. A degradation function is employed to reduce interfacial fracture properties corresponding to the number of cycles; thus fatigue lifetime can be predicted. Unlike other failure modelling methods, this model predicts the failure load, crack path and residual stiffness directly without assuming any pre-flaw condition. As an example, fatigue of a cobalt based alloy (CoCrMo) femoral stem is simulated. Experimental fatigue data was obtained from four point bending tests. The finite element model simulated a fully embedded implant with a constant point load. Comparison between the model and mechanical test results showed good agreement in fatigue crack growth rate.

  11. Hydrodynamical entrapment of ciliates at the air-liquid interface

    Science.gov (United States)

    Ferracci, Jonathan; Ueno, Hironori; Numayama-Tsuruta, Keiko; Imai, Yohsuke; Yamaguchi, Takami; Ishikawa, Takuji

    2012-11-01

    We found the new phenomenon of the entrapment of ciliates at the air-water interface, though they are not trapped by a solid interface. We first characterize the behaviours of cells at the interface by comparing it to those away from interfaces. The results showed that the cell's swimming velocity is considerably reduced at the air-water interface. In order to experimentally verify the possible physiological causes of the entrapment, we observed their behaviours in absence of positive chemotaxis for oxygen and the negative geotaxis. The results illustrated that the entrapment phenomenon was not dependent on these physiological conditions. The experiments using surfactant revealed that the entrapment phenomenon was strongly affected by the velocity-stress conditions at the interface. This fact was confirmed numerically by a boundary element method, i.e. the stress-free condition at the air-liquid interface is one of the main mechanisms of the entrapment phenomenon found in the experiments. Since the entrapment phenomenon found in this study affects the cell-cell interactions and the mass transport at the interface, the knowledge obtained in this study is useful for better understanding the complex behaviours of swimming microorganisms in nature. PhD student in the Physiological Flow Studies Laboratory.

  12. Spelling is just a click away – a user-centered brain-computer interface including auto-calibration and predictive text entry

    Directory of Open Access Journals (Sweden)

    Tobias eKaufmann

    2012-05-01

    Full Text Available Brain Computer Interfaces (BCI based on event-related potentials (ERP allow for selection of characters from a visually presented character-matrix and thus provide a communication channel for users with neurodegenerative disease. Although they have been topic of research for more than 20 years and were multiply proven to be a reliable communication method, BCIs are almost exclusively used in experimental settings, handled by qualified experts. This study investigates if ERP-BCIs can be handled independently by laymen without expert interference, which is inevitable for establishing BCIs in end-user’s daily life situations. Furthermore we compared the classic character-by-character text entry against a predictive text entry (PTE that directly incorporates predictive text into the character matrix. N=19 BCI novices handled a user-centred ERP-BCI application on their own without expert interference. The software individually adjusted classifier weights and control parameters in the background, invisible to the user (auto-calibration. All participants were able to operate the software on their own and to twice correctly spell a sentence with the auto-calibrated classifier (once with PTE, once without. Our PTE increased spelling speed and importantly did not reduce accuracy. In sum, this study demonstrates feasibility of auto-calibrating ERP-BCI use, independently by laymen and the strong benefit of integrating predictive text directly into the character-matrix.

  13. Co-current air-water flow in downward sloping pipes: Transport of capacity reducing gas pockets in wastewater mains

    NARCIS (Netherlands)

    Pothof, I.W.M.

    2011-01-01

    Air-water flow is an undesired condition in many systems for the transportation of water or wastewater. Air in storm water tunnels may get trapped and negatively affect the system. Air pockets in hydropower tunnels or sewers may cause blow-back events and inadmissible pressure spikes. Water pipes an

  14. Pollution: A Selected Bibliography of U.S. Government Publications on Air, Water, and Land Pollution 1965-1970.

    Science.gov (United States)

    Kiraldi, Louis, Comp.; Burk, Janet L., Comp.

    Materials on environmental pollution published by the various offices of the federal government are presented in this select bibliography. Limited in scope to publications on air, water, and land pollution, the document is designed to serve teachers and researchers working in the field of environmental problems who wish reference to public…

  15. In situ air-water and particle-water partitioning of perfluorocarboxylic acids, perfluorosulfonic acids and perfluorooctyl sulfonamide at a wastewater treatment plant.

    Science.gov (United States)

    Vierke, Lena; Ahrens, Lutz; Shoeib, Mahiba; Palm, Wolf-Ulrich; Webster, Eva M; Ellis, David A; Ebinghaus, Ralf; Harner, Tom

    2013-08-01

    In situ measurements of air and water phases at a wastewater treatment plant (WWTP) were used to investigate the partitioning behavior of perfluorocarboxylic acids (PFCAs), perfluorosulfonic acids (PFSAs) and perfluorooctyl sulfonamide (HFOSA) and their conjugate bases (PFC(-)s, PFS(-)s, and FOSA(-), respectively). Particle-dissolved (Rd) and air-water (QAW) concentration ratios were determined at different tanks of a WWTP. Sum of concentrations of C4-12,14 PFC(A)s, C4,6,8,10 PFS(A)s and (H)FOSA were as high as 50 pg m(-3) (atmospheric gas phase), 2300 ng L(-1) (aqueous dissolved phase) and 2500 ng L(-1) (aqueous particle phase). Particle-dissolved concentration ratios of total species, log Rd, ranged from -2.9 to 1.3 for PFS(A)s, from -1.9 to 1.1 for PFC(A)s and was 0.71 for (H)FOSA. These field-based values agree well with equilibrium partitioning data reported in the literature, suggesting that any in situ generation from precursors, if they are present in this system, occurs at a slower rate than the rate of approach to equilibrium. Acid QAW were also estimated. Good agreement between the QAW and the air-water equilibrium partition coefficient for C8PFCA suggests that the air above the WWTP tanks is at or near equilibrium with the water. Uncertainties in these QAW values are attributed mainly to variability in pKa values reported in the literature. The WWTP provides a unique environment for investigating environmental fate processes of the PFCAs and PFSAs under 'real' conditions in order to better understand and predict their fate in the environment.

  16. Is there a predictable relationship between surface physical-chemical properties and cell behaviour at the interface?

    Directory of Open Access Journals (Sweden)

    Vitte J.

    2004-06-01

    Full Text Available There is much interest in predicting and controlling the outcome of interaction between artificial surfaces and living cells. However, although there is an impressive amount of information on the behaviour of many cell populations deposited on a variety of surfaces, there is presently no available theory to explain or even summarize these data. Indeed, it is not even obvious that such a theory may exist. The aim of the present review is to emphasize the problems encountered when one attempts to build such a theory. Three sequential steps of cell surface interactions are considered: 1 protein adsorption is a preliminary step liable to involve irreversible interaction between the surface and several hundreds of molecular species occurring in blood or plasma. 2 the second step is the formation of adhesive bonds. Several theoretical frameworks were suggested to account for this step, including DLVO theory, physical chemistry of surfaces, and formation of specific ligandreceptor bonds. It is concluded that present evidence supports the latter approach, although this involves serious difficulties. 3 The last step is the triggering of a specific cell program such as apoptosis, proliferation, migration, differentiation or activation. Recent evidence suggests that in addition to the nature and amount of stimulated surface receptors, additional cues such as substratum mechanical or topographical properties may significantly affect cell behaviour.

  17. Interfacial friction factors for air-water co-current stratified flow in inclined channels

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Ki Yong; No, Hee Cheon [Korea Advanced Institute of Science and Technology, Taejon (Korea, Republic of)

    1997-12-31

    The interfacial shear stress is experimentally investigated for co-current air-water stratified flow in inclined rectangular channels having a length of 1854mm, width of 120 mm and height of 40mm at almost atmospheric pressure. Experiments are carried out in several inclinations from 0 deg up to 10 deg. The local film thickness and the wave height are measured at three locations, i.e., L/H = 8,23, and 40. According to the inclination angle, the experimental data are categorized into two groups; nearly horizontal data group (0 deg {<=} {theta} {<=} 0.7 deg), and inclined channel data group (0.7 deg {<=} {theta} {<=} 10 deg ). Experimental observations for nearly horizontal data group show that the flow is not fully developed due to the water level gradient and the hydraulic jump within the channel. For the inclined channel data group, a dimensionless wave height, {Delta}h/h, is empirically correlated in terms of Re{sub G} and h/H. A modified root-mean-square wave height is proposed to consider the effects of the interfacial and wave propagation velocities. It is found that an equivalent roughness has a linear relationship with the modified root-mean-square wave height and its relationship is independent of the inclination. 10 refs., 6 figs., 1 tab. (Author)

  18. Time-resolved Fast Neutron Radiography of Air-water Two-phase Flows

    Science.gov (United States)

    Zboray, Robert; Dangendorf, Volker; Mor, Ilan; Tittelmeier, Kai; Bromberger, Benjamin; Prasser, Horst-Michael

    Neutron imaging, in general, is a useful technique for visualizing low-Z materials (such as water or plastics) obscured by high-Z materials. However, when significant amounts of both materials are present and full-bodied samples have to be examined, cold and thermal neutrons rapidly reach their applicability limit as the samples become opaque. In such cases one can benefit from the high penetrating power of fast neutrons. In this work we demonstrate the feasibility of time-resolved, fast neutron radiography of generic air-water two-phase flows in a 1.5 cm thick flow channel with Aluminum walls and rectangular cross section. The experiments have been carried out at the high-intensity, white-beam facility of the Physikalisch-Technische Bundesanstalt, Germany. Exposure times down to 3.33 ms have been achieved at reasonable image quality and acceptable motion artifacts. Different two-phase flow regimes such as bubbly slug and churn flows have been examined. Two-phase flow parameters like the volumetric gas fraction, bubble size and bubble velocities have been measured.

  19. Flow Regimes of Air-Water Counterflow Through Cross Corrugated Parallel Plates

    Energy Technology Data Exchange (ETDEWEB)

    de Almeida, V.F.

    2000-06-07

    Heretofore unknown flow regimes of air-water counterflow through a pair of transparent vertical parallel cross corrugated plates were observed via high-speed video. Air flows upward driven by pressure gradient and water, downward driven by gravity. The crimp geometry of the corrugations was drawn from typical corrugated sheets used as filling material in modern structured packed towers. Four regimes were featured, namely, rivulet, bicontinuous, flooding fronts, and flooding waves. It is conceivable that the regimes observed might constitute the basis for understanding how gas and liquid phases contend for available space in the interstices of structured packings in packed towers. Flow regime transitions were expressed in terms of liquid load (liquid superficial velocity) and gas flow factor parameters commonly used in pressure drop and capacity curves. We have carefully examined the range of parameters equivalent to the ill-understood high-liquid-flow operation in packed towers. More importantly, our findings should prove valuable in validating improved first-principles modeling of gas-liquid flows in these industrially important devices.

  20. Large eddy simulation and PIV experiments of air-water mixing tanks

    Science.gov (United States)

    Zamankhan, Piroz

    2010-06-01

    The simulations and experiments of a turbulent bubbly flow are carried out in a cylindrical mixing vessel. Dynamics of the turbulent bubbly flow is visualized using a novel two-phase particle image velocimetry (PIV) with a combination of back lighting, digital masking and fluorescent tracer particles. Using an advanced technique, Mie's scattering at surfaces of bubbles is totally filtered out and, henceforth, images of tracer particles and of bubbles are obtained with high quality. In parallel to the comprehensive experimental studies, numerical results are obtained from large eddy simulations (LES) of the two-phase air-water mixer. The impeller-induced flow at the blade tip radius is modeled by using sliding mesh method. The results demonstrate the existence of large structures such as tip-vortex tips, and also some finer details. In addition, the stability of the jet is found to be connected with the fluctuations of the tip vortices whose dynamics are affected by the presence of bubbles. Numerical results are used to interpret the measurement data and to guide the refinement of consistent theoretical analyses. Such information is invaluable in the development of advanced theories capable of describing bubbly flows in the presence of complex liquid flow. This detailed information is of real significance in facilitating the design and scale-up of practical stirred tanks.

  1. Numerical and experimental study of dissociation in an air-water single-bubble sonoluminescence system.

    Science.gov (United States)

    Puente, Gabriela F; Urteaga, Raúl; Bonetto, Fabián J

    2005-10-01

    We performed a comprehensive numerical and experimental analysis of dissociation effects in an air bubble in water acoustically levitated in a spherical resonator. Our numerical approach is based on suitable models for the different effects considered. We compared model predictions with experimental results obtained in our laboratory in the whole phase parameter space, for acoustic pressures from the bubble dissolution limit up to bubble extinction. The effects were taken into account simultaneously to consider the transition from nonsonoluminescence to sonoluminescence bubbles. The model includes (1) inside the bubble, transient and spatially nonuniform heat transfer using a collocation points method, dissociation of O2 and N2, and mass diffusion of vapor in the noncondensable gases; (2) at the bubble interface, nonequilibrium evaporation and condensation of water and a temperature jump due to the accommodation coefficient; (3) in the liquid, transient and spatially nonuniform heat transfer using a collocation points method, and mass diffusion of the gas in the liquid. The model is completed with a Rayleigh-Plesset equation with liquid compressible terms and vapor mass transfer. We computed the boundary for the shape instability based on the temporal evolution of the computed radius. The model is valid for an arbitrary number of dissociable gases dissolved in the liquid. We also obtained absolute measurements for R(t) using two photodetectors and Mie scattering calculations. The robust technique used allows the estimation of experimental results of absolute R0 and P(a). The technique is based on identifying the bubble dissolution limit coincident with the parametric instability in (P(a),R0) parameter space. We take advantage of the fact that this point can be determined experimentally with high precision and replicability. We computed the equilibrium concentration of the different gaseous species and water vapor during collapse as a function of P(a) and R0. The

  2. 20 Years of Air-Water Gas Exchange Observations for Pesticides in the Western Arctic Ocean.

    Science.gov (United States)

    Jantunen, Liisa M; Wong, Fiona; Gawor, Anya; Kylin, Henrik; Helm, Paul A; Stern, Gary A; Strachan, William M J; Burniston, Deborah A; Bidleman, Terry F

    2015-12-01

    The Arctic has been contaminated by legacy organochlorine pesticides (OCPs) and currently used pesticides (CUPs) through atmospheric transport and oceanic currents. Here we report the time trends and air-water exchange of OCPs and CUPs from research expeditions conducted between 1993 and 2013. Compounds determined in both air and water were trans- and cis-chlordanes (TC, CC), trans- and cis-nonachlors (TN, CN), heptachlor exo-epoxide (HEPX), dieldrin (DIEL), chlorobornanes (ΣCHBs and toxaphene), dacthal (DAC), endosulfans and metabolite endosulfan sulfate (ENDO-I, ENDO-II, and ENDO SUL), chlorothalonil (CHT), chlorpyrifos (CPF), and trifluralin (TFN). Pentachloronitrobenzene (PCNB and quintozene) and its soil metabolite pentachlorothianisole (PCTA) were also found in air. Concentrations of most OCPs declined in surface water, whereas some CUPs increased (ENDO-I, CHT, and TFN) or showed no significant change (CPF and DAC), and most compounds declined in air. Chlordane compound fractions TC/(TC + CC) and TC/(TC + CC + TN) decreased in water and air, while CC/(TC + CC + TN) increased. TN/(TC + CC + TN) also increased in air and slightly, but not significantly, in water. These changes suggest selective removal of more labile TC and/or a shift in chlordane sources. Water-air fugacity ratios indicated net volatilization (FR > 1.0) or near equilibrium (FR not significantly different from 1.0) for most OCPs but net deposition (FR < 1.0) for ΣCHBs. Net deposition was shown for ENDO-I on all expeditions, while the net exchange direction of other CUPs varied. Understanding the processes and current state of air-surface exchange helps to interpret environmental exposure and evaluate the effectiveness of international protocols and provides insights for the environmental fate of new and emerging chemicals.

  3. Interface Consistency

    DEFF Research Database (Denmark)

    Staunstrup, Jørgen

    1998-01-01

    This paper proposes that Interface Consistency is an important issue for the development of modular designs. Byproviding a precise specification of component interfaces it becomes possible to check that separately developedcomponents use a common interface in a coherent matter thus avoiding a very...... significant source of design errors. Awide range of interface specifications are possible, the simplest form is a syntactical check of parameter types.However, today it is possible to do more sophisticated forms involving semantic checks....

  4. Numerical simulation of particle dynamics at a fluid interface

    Science.gov (United States)

    Yue, Pengtao

    2016-11-01

    Particles straddling a fluid interface exhibit rich dynamics due to the coexistence of moving boundaries, fluid interfaces, and moving contact lines. For instance, as a particle falls onto a liquid surface, it may sink, float, or even bounce off depending on a wide range of parameters. To better understand the dynamics of such a multiphase system, we develop a finite-element based arbitrary Lagrangian-Eulerian-phase-field method. The governing equations for particles and fluids are solved in a unified variational framework that satisfies an energy law. We first validate our code by computing three problems found in literature: sinking of a horizontal cylinder through an air-water interface, sinking of a sphere through an air-oil interface at small Reynolds numbers, and bouncing of a sphere after its normal impact onto an air-water interface. Our numerical results show good agreements with experimental data. We then investigate the effect of wetting properties, including static contact angle, slip length, and wall energy relaxation, on particle dynamics at the fluid interface. This work is supported by NSF DMS-1522604.

  5. Ordering of solid microparticles at liquid crystal-water interfaces.

    Science.gov (United States)

    Lin, I-Hsin; Koenig, Gary M; de Pablo, Juan J; Abbott, Nicholas L

    2008-12-25

    We report a study of the organization of solid microparticles at oil-water interfaces, where the oil is a thermotropic liquid crystal (LC). The study was motivated by the proposition that microparticle organization and LC ordering would be coupled at these interfaces. Surfactant-functionalized polystyrene microparticles were spread at air-water interfaces at prescribed densities and then raised into contact with supported films of nematic 4-pentyl-4'-cyanobiphenyl (5CB). Whereas this method of sample preparation led to quantitative transfer of microparticles from the air-water interface to an isotropic oil-water interface, forces mediated by the nematic order of 5CB were observed to rapidly displace microparticles laterally across the interface of the water upon contact with nematic 5CB, thus leading to a 65% decrease in the density of microparticles at the LC-water interface. These lateral forces were determined to be caused by microparticle-induced deformation of the LC, the energy of which was estimated to be approximately 10(4) kT. We also observed microparticles transferred to the LC-water interface to assemble into chainlike structures that were not seen when using isotropic oils, indicating the presence of LC-mediated interparticle interactions at this interface. Optical textures of the LC in the vicinity of the microparticles were consistent with formation of topological defects with dipolar symmetry capable of promoting the chaining of the microparticles. The presence of microparticles at the interface also impacted the ordering of the LCs, including a transition from parallel to perpendicular ordering of the LC with increasing microparticle density. These observations, when combined, demonstrate that LC-mediated interactions can direct the assembly of solid microparticles at LC-water interfaces and that the ordering of the LC is also strongly coupled to the presence of microparticles.

  6. Interface models

    DEFF Research Database (Denmark)

    Ravn, Anders P.; Staunstrup, Jørgen

    1994-01-01

    This paper proposes a model for specifying interfaces between concurrently executing modules of a computing system. The model does not prescribe a particular type of communication protocol and is aimed at describing interfaces between both software and hardware modules or a combination of the two....... The model describes both functional and timing properties of an interface...

  7. 水力侵蚀预测模型GeoWEPP研究进展%Research development on geo-spatial interface for water erosion prediction project

    Institute of Scientific and Technical Information of China (English)

    郝韵; 于瑞宏; 郝瑞英; 杨欢; 张宇瑾; 张笑欣

    2015-01-01

    总结了水力侵蚀预测模型GeoWEPP的发展历程、技术框架、适用性和局限性,从DEM数据、土地利用/覆被变化、管理因子和土壤要素等4个角度详细论述了GeoWEPP模型的研究进展,针对模型的优势及存在的问题,结合当前水文和侵蚀模型研究形势,对GeoWEPP模型未来发展的趋势与走向作了展望,指出该模型在DEM精度阈值的确定、空间尺度的转换、人类活动集中区的应用、与生态过程的结合以及WEPP与GIS集成开发5个方面有较大的拓展空间。%This paper summarized geo-spatial interface for water erosion prediction project ( GeoWEPP) model’ s development process, technical framework, applicability and limitations, and then respectively described current research development of GeoWEPP from the standpoints of dynamic effect model ( DEM) data, land use/cover change, management factors and soil factors. For the advantages and disadvantages combining with the research status of water erosion prediction model, this paper proposed development directions of the model and pointed out possibilities of development about GeoWEPP in five aspects:definition of the accuracy of DEM, transform of spatial scale, application in human activities center, combination with ecological process, and integrated development of WEPP and geographic information system ( GIS) .

  8. Predictive Model of Supercooled Water Droplet Pinning/Repulsion Impacting a Superhydrophobic Surface: The Role of the Gas-Liquid Interface Temperature.

    Science.gov (United States)

    Mohammadi, Morteza; Tembely, Moussa; Dolatabadi, Ali

    2017-02-28

    Dynamical analysis of an impacting liquid drop on superhydrophobic surfaces is mostly carried out by evaluating the droplet contact time and maximum spreading diameter. In this study, we present a general transient model of the droplet spreading diameter developed from the previously defined mass-spring model for bouncing drops. The effect of viscosity was also considered in the model by definition of a dash-pot term extracted from experiments on various viscous liquid droplets on a superhydrophobic surface. Furthermore, the resultant shear force of the stagnation air flow was also considered with the help of the classical Homann flow approach. It was clearly shown that the proposed model predicts the maximum spreading diameter and droplet contact time very well. On the other hand, where stagnation air flow is present in contradiction to the theoretical model, the droplet contact time was reduced as a function of both droplet Weber numbers and incoming air velocities. Indeed, the reduction in the droplet contact time (e.g., 35% at a droplet Weber number of up to 140) was justified by the presence of a formed thin air layer underneath the impacting drop on the superhydrophobic surface (i.e., full slip condition). Finally, the droplet wetting model was also further developed to account for low temperature through the incorporation of classical nucleation theory. Homogeneous ice nucleation was integrated into the model through the concept of the reduction of the supercooled water drop surface tension as a function of the gas-liquid interface temperature, which was directly correlated with the Nusselt number of incoming air flow. It was shown that the experimental results was qualitatively predicted by the proposed model under all supercooling conditions (i.e., from -10 to -30 °C).

  9. Particles dispersion on fluid-liquid interfaces

    Institute of Scientific and Technical Information of China (English)

    Sathish Gurupatham; Bhavin Dalal; Md. Shahadat Hossain; Ian S. Fischer; Pushpendra Singh; Daniel D. Joseph

    2011-01-01

    This paper is concerned with the dispersion of particles on the fluid-liquid interface. In a previous study we have shown that when small particles,e.g.,flour,pollen,glass beads,etc.,contact an air-liquid interface,they disperse rapidly as ifthey were in an explosion. The rapid dispersion is due to the fact that the capillary force pulls particles into the interface causing them to accelerate to a large velocity. In this paper we show that motion of particles normal to the interface is inertia dominated: they oscillate vertically about their equilibrium position before coming to rest under viscous drag. This vertical motion of a particle causes a radially-outward lateral (secondary) flow on the interface that causes nearby particles to move away. The dispersion on a liquid-liquid interface,which is the primary focus of this study,was relatively weaker than on an air-liquid interface,and occurred over a longer period of time. When falling through an upper liquid the particles have a slower velocity than when falling through air because the liquid has a greater viscosity. Another difference for the liquid-liquid interface is that the separation of particles begins in the upper liquid before the particles reach the interface. The rate of dispersion depended on the size of the particles,the densities of the particle and liquids,the viscosities of the liquids involved,and the contact angle. For small particles,partial pinning and hysteresis of the three-phase contact line on the surface of the particle during adsorption on liquid-liquid interfaces was also important. The frequency of oscillation of particles about their floating equilibrium increased with decreasing particle size on both air-water and liquid-liquid interfaces,and the time to reach equilibrium decreased with decreasing particle size. These results are in agreement with our analysis.

  10. Single-interface Casimir torque

    Science.gov (United States)

    Morgado, Tiago A.; Silveirinha, Mário G.

    2016-10-01

    A different type of Casimir-type interaction is theoretically predicted: a single-interface torque at a junction of an anisotropic material and a vacuum or another material system. The torque acts to reorient the polarizable microscopic units of the involved materials near the interface, and thus to change the internal structure of the materials. The single-interface torque depends on the zero-point energy of the interface localized and extended modes. Our theory demonstrates that the single-interface torque is essential to understand the Casimir physics of material systems with anisotropic elements and may influence the orientation of the director of nematic liquid crystals.

  11. Hydroxyl radical reactivity at the air-ice interface

    Directory of Open Access Journals (Sweden)

    T. F. Kahan

    2010-01-01

    Full Text Available Hydroxyl radicals are important oxidants in the atmosphere and in natural waters. They are also expected to be important in snow and ice, but their reactivity has not been widely studied in frozen aqueous solution. We have developed a spectroscopic probe to monitor the formation and reactions of hydroxyl radicals in situ. Hydroxyl radicals are produced in aqueous solution via the photolysis of nitrite, nitrate, and hydrogen peroxide, and react rapidly with benzene to form phenol. Similar phenol formation rates were observed in aqueous solution and bulk ice. However, no reaction was observed at air-ice interfaces, or when bulk ice samples were crushed prior to photolysis to increase their surface area. We also monitored the heterogeneous reaction between benzene present at air-water and air-ice interfaces with gas-phase OH produced from HONO photolysis. Rapid phenol formation was observed on water surfaces, but no reaction was observed at the surface of ice. Under the same conditions, we observed rapid loss of the polycyclic aromatic hydrocarbon (PAH anthracene at air-water interfaces, but no loss was observed at air-ice interfaces. Our results suggest that the reactivity of hydroxyl radicals toward aromatic organics is similar in bulk ice samples and in aqueous solution, but is significantly suppressed in the quasi-liquid layer (QLL that exists at air-ice interfaces.

  12. Developing a Graphical User Interface to Automate the Estimation and Prediction of Risk Values for Flood Protective Structures using Artificial Neural Network

    Science.gov (United States)

    Hasan, M.; Helal, A.; Gabr, M.

    2014-12-01

    In this project, we focus on providing a computer-automated platform for a better assessment of the potential failures and retrofit measures of flood-protecting earth structures, e.g., dams and levees. Such structures play an important role during extreme flooding events as well as during normal operating conditions. Furthermore, they are part of other civil infrastructures such as water storage and hydropower generation. Hence, there is a clear need for accurate evaluation of stability and functionality levels during their service lifetime so that the rehabilitation and maintenance costs are effectively guided. Among condition assessment approaches based on the factor of safety, the limit states (LS) approach utilizes numerical modeling to quantify the probability of potential failures. The parameters for LS numerical modeling include i) geometry and side slopes of the embankment, ii) loading conditions in terms of rate of rising and duration of high water levels in the reservoir, and iii) cycles of rising and falling water levels simulating the effect of consecutive storms throughout the service life of the structure. Sample data regarding the correlations of these parameters are available through previous research studies. We have unified these criteria and extended the risk assessment in term of loss of life through the implementation of a graphical user interface to automate input parameters that divides data into training and testing sets, and then feeds them into Artificial Neural Network (ANN) tool through MATLAB programming. The ANN modeling allows us to predict risk values of flood protective structures based on user feedback quickly and easily. In future, we expect to fine-tune the software by adding extensive data on variations of parameters.

  13. Numerical investigation of a turbulent hydraulic jump: Interface statistics and air entrainment

    Science.gov (United States)

    Mortazavi, Milad; Kim, Dokyun; Mani, Ali; Moin, Parviz

    2011-11-01

    The objective of this study is to develop an understanding of formation of bubbles due to turbulence/interface interactions and nonlinear surface wave phenomena. As a model problem a statistically stationary turbulent hydraulic jump has been considered. Turbulent hydraulic jump with an inflow Froude number of 2 and Reynolds number of 88000-based on inflow height-has been numerically simulated. Based on typical air- water systems, a density ratio of 831 has been selected for our calculations. A refined level-set method is employed to track the detailed dynamics of the interface evolution. Comparison of flow statistics with experimental results of Murzyn et al. (Int. J. Multiphase Flow, 2005) will be presented. The probability density function of principal curvatures of the air- water interface and curvature distribution patterns in the chaotic regions are investigated. The importance of liquid impact events in bubble generation will be discussed. Supported by the Office of Naval Research, with Dr. Pat Purtell, program manager.

  14. Observation of the Turbulent Burst near A Sheared Air—Water Interface

    Institute of Scientific and Technical Information of China (English)

    ShuangfengWANG; ZhennanNIU; 等

    1999-01-01

    The turbulent burst under a sheared air-water interface was experimentally investigated using hydrogen bubble visualization technique.The surface shear was imposed by an airflow over the water flow which was kept free from surface waves.Results show that the wind shear has the main influence on the bursting events.At relatively high shear rates,the flow near the interface is dominated primarily by intermittent bursting events.The general features of bursting processes are described in some detail.The observed bursting events show qualitative similarities with those occurring in near-wall turbulence.However,a few distinctive phenomena were also observed,including the existence of vertical vortices and thickening process of the boundary layer,which appear to be associated with the characteristics of air-water interface.

  15. Interaction of L-Phenylalanine with a Phospholipid Monolayer at the Water-Air Interface.

    Science.gov (United States)

    Griffith, Elizabeth C; Perkins, Russell J; Telesford, Dana-Marie; Adams, Ellen M; Cwiklik, Lukasz; Allen, Heather C; Roeselová, Martina; Vaida, Veronica

    2015-07-23

    The interaction of L-phenylalanine with a 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) monolayer at the air-water interface was explored using a combination of experimental techniques and molecular dynamics (MD) simulations. By means of Langmuir trough methods and Brewster angle microscopy, L-phenylalanine was shown to significantly alter the interfacial tension and the surface domain morphology of the DPPC film. In addition, confocal microscopy was used to explore the aggregation state of L-phenylalanine in the bulk aqueous phase. Finally, MD simulations were performed to gain molecular-level information on the interactions of L-phenylalanine and DPPC at the interface. Taken together, these results show that L-phenylalanine intercalates into a DPPC film at the air-water interface, thereby affecting the surface tension, phase morphology, and ordering of the DPPC film. The results are discussed in the context of biological systems and the mechanism of diseases such as phenylketonuria.

  16. Orientation and conformation of a lipase at an interface studied by molecular dynamics simulations

    DEFF Research Database (Denmark)

    Jensen, Morten Østergaard; Jensen, T.R.; Kjær, Kristian

    2002-01-01

    Electron density profiles calculated from molecular dynamics trajectories are used to deduce the orientation and conformation of Thermomyces lanuginosa lipase and a mutant adsorbed at an air-water interface. It is demonstrated that the profiles display distinct fine structures, which uniquely...... characterize enzyme orientation and conformation. The density profiles are, on the nanosecond timescale, determined by the average enzyme conformation. We outline a Computational scheme that from a single molecular dynamics trajectory allows for extraction of electron density profiles referring to different...... orientations of the lipase relative to an implicit interface. Profiles calculated for the inactive and active conformations of the lipase are compared with experimental electron density profiles measured by x-ray reflectivity for the lipase adsorbed at an air-water interface. The experimental profiles contain...

  17. Air/water heat pumps in older buildings. Energy conservation in a stock; Luft/Wasser-Waermepumpen im Altbau. Energiesparen im Bestand

    Energy Technology Data Exchange (ETDEWEB)

    Bauknecht, Steffen [Mitsubishi Electric, Ratingen (Germany)

    2010-02-15

    Due to the technical development, nowadays it is possible to heat older buildings which are not insulated thermally subsequently with monovalent air/water heat pumps. For example, in Bonn-Oberkassel (Federal Republic of Germany) a nearly one hundred year old art nouveau mansion is supplied with apartment warmth and warm water by means of two air/water heat pumps. The economical heat supply as well as the small structural expenditure decided to use this technology.

  18. Interface dermatitis

    Directory of Open Access Journals (Sweden)

    Rajiv Joshi

    2013-01-01

    Full Text Available Interface dermatitis includes diseases in which the primary pathology involves the dermo-epidermal junction. The salient histological findings include basal cell vacuolization, apoptotic keratinocytes (colloid or Civatte bodies, and obscuring of the dermo-epidermal junction by inflammatory cells. Secondary changes of the epidermis and papillary dermis along with type, distribution and density of inflammatory cells are used for the differential diagnoses of the various diseases that exhibit interface changes. Lupus erythematosus, dermatomyositis, lichen planus, graft versus host disease, erythema multiforme, fixed drug eruptions, lichen striatus, and pityriasis lichenoides are considered major interface diseases. Several other diseases (inflammatory, infective, and neoplastic may show interface changes.

  19. The RNA core weakly influences the interactions of the bacteriophage MS2 at key environmental interfaces

    KAUST Repository

    Nguyen, Thanh H.

    2011-01-01

    The effect of the RNA core on interfacial interactions of the bacteriophage MS2 was investigated. After removal of the RNA core, empty intact capsids were characterized and compared to untreated MS2. Electron density of untreated MS2 and RNA-free MS2 were characterized by transmission electron microscopy (TEM) and synchrotron-based small angle spectroscopy (SAXS). Suspensions of both particles exhibited similar electrophoretic mobility across a range of pH values. Similar effects were observed at pH 5.9 across a range of NaCl or CaCl2 concentrations. We compared key interfacial interactions (particle-particle and particle/air-water interface) between suspensions of each type of particle using time resolved dynamic light scattering (TR-DLS) to observe and quantify aggregation kinetics and axisymmetric drop shape analysis to measure adsorption at the air-water interface. Both suspensions showed insignificant aggregation over 4 h in 600 mM NaCl solutions. In the presence of Ca2+ ions, aggregation of both types of particles was consistent with earlier aggregation studies and was characterized by both reaction-limited and diffusion-limited regimes occurring at similar [Ca2+]. However, the removal of the RNA from MS2 had no apparent effect on the aggregation kinetics of particles. Despite some differences in the kinetics of adsorption to the air-water interface, the changes in surface tension which result from particle adsorption showed no difference between the untreated MS2 and RNA-free MS2. The interactions and structure of particles at the air-water interface were further probed using interfacial dilational rheology. The surface elasticity (E s) and surface viscosity (ηs) at the interface were low for both the untreated virus and the RNA-free capsid. This observation suggests that the factors that impact the adsorption kinetics are not important for an equilibrated interface. © 2011 The Royal Society of Chemistry.

  20. Interface Screenings

    DEFF Research Database (Denmark)

    Thomsen, Bodil Marie Stavning

    2015-01-01

    and memories. From a transvisual perspective, the question is whether or not these (by now realized) diagrammatic modes involving the body in ubiquitous global media can be analysed in terms of the affects and events created in concrete interfaces. The examples used are filmic as felt sensations...... of an interface are invisible and not easy to describe....

  1. Fluid Interfaces

    DEFF Research Database (Denmark)

    Hansen, Klaus Marius

    2001-01-01

    Fluid interaction, interaction by the user with the system that causes few breakdowns, is essential to many user interfaces. We present two concrete software systems that try to support fluid interaction for different work practices. Furthermore, we present specificity, generality, and minimality...... as design goals for fluid interfaces....

  2. Interface Realisms

    DEFF Research Database (Denmark)

    Pold, Søren

    2005-01-01

    This article argues for seeing the interface as an important representational and aesthetic form with implications for postmodern culture and digital aesthetics. The interface emphasizes realism due in part to the desire for transparency in Human-Computer Interaction (HCI) and partly to the devel...

  3. Vibrational spectroscopy of water interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Du, Quan [Univ. of California, Berkeley, CA (United States)

    1994-12-01

    The second order nonlinear optical processes of second harmonic generation and sum frequency generation are powerful and versatile tools for studying all kinds of surfaces. They possess unusual surface sensitivity due to the symmetry properties of the second order nonlinear susceptibility. The technique of infrared-visible sum frequency generation (SFG) is particularly attractive because it offers a viable way to do vibrational spectroscopy on any surfaces accessible to light with submonolayer sensitivity. In this thesis, the author applies SFG to study a number of important water interfaces. At the air/water interface, hydrophobic solid/water and liquid/water interfaces, it was found that approximately 25% of surface water molecules have one of their hydrogen pointing away from the liquid water. The large number of unsatisfied hydrogen bonds contributes significantly to the large interfacial energy of the hydrophobic surfaces. At the hydrophilic fused quartz/water interface and a fatty acid monolayer covered water surface, the structure and orientation of surface water molecules are controlled by the hydrogen bonding of water molecules with the surface OH groups and the electrostatic interaction with the surface field from the ionization of surface groups. A change of pH value in the bulk water can significantly change the relative importance of the two interactions and cause a drastic change in orientation of the surface water molecules. SFG has also been applied to study the tribological response of some model lubricant films. Monolayers of Langmuir-Blodgett films were found to disorder orientationaly under mildly high pressure and recover promptly upon removal of the applied pressure.

  4. Testing Interfaces

    DEFF Research Database (Denmark)

    Holbøll, Joachim T.; Henriksen, Mogens; Nilson, Jesper K.;

    1999-01-01

    The wide use of solid insulating materials combinations in combinations has introduced problems in the interfaces between components. The most common insulating materials are cross-linked polyethylene (XLPE), silicone rubber (SIR) and ethylene-propylene rubbers (EPR). Assemblies of these materials...... have caused major failures. In the Netherlands, a major black out was caused by interface problems in 150kV cable terminations, causing a cascade of breakdowns. There is a need to investigate the reasons for this and other similar breakdowns.The major problem is expected to lie in the interface between...... two different materials. Environmental influence, surface treatment, defects in materials and interface, design, pressure and rubbing are believed to have an effect on interface degradation. These factors are believed to increase the possibility of partial discharges (PD). PD will, with time, destroy...

  5. Development and Integration of Single-Asperity Nanotribology Experiments & Nanoscale Interface Finite Element Modeling for Prediction and Control of Friction and Damage in Micro- and Nano-mechnical Systems

    Energy Technology Data Exchange (ETDEWEB)

    R.W. Carpick; M.E. Plesha

    2007-03-03

    This report describes the accomplishments of the DOE BES grant entitled "Development and Integration of Single-Asperity Nanotribology Experiments & Nanoscale Interface Finite Element Modeling for Prediction and Control of Friction and Damage in Micro- and Nano-mechnical Systems". Key results are: the determination of nanoscale frictional properties of MEMS surfaces, self-assembled monolayers, and novel carbon-based films, as well as the development of models to describe this behavior.

  6. Prediction

    CERN Document Server

    Sornette, Didier

    2010-01-01

    This chapter first presents a rather personal view of some different aspects of predictability, going in crescendo from simple linear systems to high-dimensional nonlinear systems with stochastic forcing, which exhibit emergent properties such as phase transitions and regime shifts. Then, a detailed correspondence between the phenomenology of earthquakes, financial crashes and epileptic seizures is offered. The presented statistical evidence provides the substance of a general phase diagram for understanding the many facets of the spatio-temporal organization of these systems. A key insight is to organize the evidence and mechanisms in terms of two summarizing measures: (i) amplitude of disorder or heterogeneity in the system and (ii) level of coupling or interaction strength among the system's components. On the basis of the recently identified remarkable correspondence between earthquakes and seizures, we present detailed information on a class of stochastic point processes that has been found to be particu...

  7. Microprocessor interfacing

    CERN Document Server

    Vears, R E

    2014-01-01

    Microprocessor Interfacing provides the coverage of the Business and Technician Education Council level NIII unit in Microprocessor Interfacing (syllabus U86/335). Composed of seven chapters, the book explains the foundation in microprocessor interfacing techniques in hardware and software that can be used for problem identification and solving. The book focuses on the 6502, Z80, and 6800/02 microprocessor families. The technique starts with signal conditioning, filtering, and cleaning before the signal can be processed. The signal conversion, from analog to digital or vice versa, is expl

  8. Verification and Validation of Numerical Models for Air/Water Flow on Coastal and Navigation Fluid-Structure Interaction Applications

    Science.gov (United States)

    Kees, C. E.; Farthing, M.; Dimakopoulos, A.; DeLataillade, T.

    2015-12-01

    Performance analysis and optimization of coastal and navigation structures is becoming feasible due to recent improvements in numerical methods for multiphase flows and the steady increase in capacity and availability of high performance computing resources. Now that the concept of fully three-dimensional air/water flow modelling for real world engineering analysis is achieving acceptance by the wider engineering community, it is critical to expand careful comparative studies on verification,validation, benchmarking, and uncertainty quantification for the variety of competing numerical methods that are continuing to evolve. Furthermore, uncertainty still remains about the relevance of secondary processes such as surface tension, air compressibility, air entrainment, and solid phase (structure) modelling so that questions about continuum mechanical theory and mathematical analysis of multiphase flow are still required. Two of the most popular and practical numerical approaches for large-scale engineering analysis are the Volume-Of-Fluid (VOF) and Level Set (LS) approaches. In this work we will present a publically available verification and validation test set for air-water-structure interaction problems as well as computational and physical model results including a hybrid VOF-LS method, traditional VOF methods, and Smoothed Particle Hydrodynamics (SPH) results. The test set repository and test problem formats will also be presented in order to facilitate future comparative studies and reproduction of scientific results.

  9. World shares of publications of the USA, EU-27, and China compared and predicted using the new web of science interface versus scopus

    NARCIS (Netherlands)

    Leydesdorff, L.

    2012-01-01

    The new interface of the Web of Science (Thomson Reuters) enables users to retrieve sets larger than 100,000 documents in a single search. This makes it possible to compare publication trends for China, the USA, EU-27, and smaller countries with the data in the Scopus (Elsevier) database. China no l

  10. World shares of publications of the USA, EU-27, and China compared and predicted using the new web of science interface versus scopus

    NARCIS (Netherlands)

    Leydesdorff, L.

    2012-01-01

    The new interface of the Web of Science (Thomson Reuters) enables users to retrieve sets larger than 100,000 documents in a single search. This makes it possible to compare publication trends for China, the USA, EU-27, and smaller countries with the data in the Scopus (Elsevier) database. China no

  11. World shares of publications of the USA, EU-27, and China compared and predicted using the new web of science interface versus scopus

    NARCIS (Netherlands)

    Leydesdorff, L.

    2012-01-01

    The new interface of the Web of Science (Thomson Reuters) enables users to retrieve sets larger than 100,000 documents in a single search. This makes it possible to compare publication trends for China, the USA, EU-27, and smaller countries with the data in the Scopus (Elsevier) database. China no l

  12. Solvation of ions in bulk and at interfaces: What can density functional theory teach us?

    Science.gov (United States)

    Mundy, Christopher

    2012-02-01

    Insights from molecular simulation have influenced both experiment and theory regarding the understanding of the specific ion effect. Although there seems to be a consensus that large polarizable anions exist at the air-water interface, the understanding of the precise molecular interactions that give rise to surface adsorption remain elusive. I will present our work on the adsorption of iodide at the air-water interface using density functional theory (DFT) based interaction potentials. I will discuss similarities and differences of the results obtained using different descriptions of molecular interaction. Last, we are able to reconcile the results obtained with molecular simulation using standard empirical potentials with the dielectric continuum theory of Levin and co-workers.[4pt] In collaboration with Marcel Baer, Pacific Northwest National Laboratory; Douglas Tobias, Abe Stern, University of California, Irvine, CA; and Yan Levin, Instituto de F'isica, UFRGS, Porto Alegre, RS, 91501-970, Brazil.

  13. Proceedings Foundations for Interface Technologies

    CERN Document Server

    Legay, Axel; 10.4204/EPTCS.46

    2011-01-01

    FIT stands for Foundations of Interface Technologies. Component-based design is widely considered as a major approach to developing systems in a time and cost effective way. Central in this approach is the notion of an interface. Interfaces summarize the externally visible properties of a component and are seen as a key to achieving component interoperability and to predict global system behavior based on the component behavior. To capture the intricacy of complex software products, rich interfaces have been proposed. These interfaces do not only specify syntactic properties, such as the signatures of methods and operations, but also take into account behavioral and extra-functional properties, such as quality of service, security and dependability. Rich interfaces have been proposed for describing, e.g., the legal sequences of messages or method calls accepted by components, or the resource and timing constraints in embedded software. The development of a rigorous framework for the specification and analysis...

  14. Influence of current velocity and wind speed on air-water gas exchange in a mangrove estuary

    Science.gov (United States)

    Ho, David T.; Coffineau, Nathalie; Hickman, Benjamin; Chow, Nicholas; Koffman, Tobias; Schlosser, Peter

    2016-04-01

    Knowledge of air-water gas transfer velocities and water residence times is necessary to study the fate of mangrove derived carbon exported into surrounding estuaries and ultimately to determine carbon balances in mangrove ecosystems. For the first time, the 3He/SF6 dual tracer technique, which has been proven to be a powerful tool to determine gas transfer velocities in the ocean, is applied to Shark River, an estuary situated in the largest contiguous mangrove forest in North America. The mean gas transfer velocity was 3.3 ± 0.2 cm h-1 during the experiment, with a water residence time of 16.5 ± 2.0 days. We propose a gas exchange parameterization that takes into account the major sources of turbulence in the estuary (i.e., bottom generated shear and wind stress).

  15. Characterization of atmospheric nanosecond discharge under highly inhomogeneous and transient electric field in air/water mixture

    Science.gov (United States)

    Ouaras, Karim; Tardiveau, Pierre; Magne, Lionel; Jeanney, Pascal; Bournonville, Blandine

    2016-09-01

    We report the studies of a centimeter range pin-to-plane nanosecond repetitively discharge (high positive voltage pulses (20 to 100 kV). In these typical conditions, plasma exhibit unusual diffuse and large structure. This kind of discharge is not well understood and in first approach, it requires (i) a description of plasma dynamic and (ii) behavior under relevant context (environmental issues ...) using pertinent gas (humid air). Thus, we will first present sub-nanosecond imaging of the discharge obtained for typical conditions of stabilized plasma. Then we will focus on determination of rotational and vibrational temperature (OES) and preliminary results concerning the production and evolution of OH radical in temporal post-discharge in air/water mixture (PLIF). Theses spectroscopic measurements are undertaken as function of most influent parameters, i . e . voltage pulses features (amplitude, rise time and length) and water concentration.

  16. X-ray CT-Derived Soil Characteristics Explain Varying Air, Water, and Solute Transport Properties across a Loamy Field

    DEFF Research Database (Denmark)

    Paradelo Pérez, Marcos; Katuwal, Sheela; Møldrup, Per;

    2016-01-01

    The characterization of soil pore space geometry is important for explaining fluxes of air, water, and solutes through soil and understanding soil hydrogeochemical functions. X-ray computed tomography (CT) can be applied for this characterization, and in this study CT-derived parameters were used...... be factors that increased the uncertainty of the relationships. Nevertheless, the results confirmed the potential of X-ray CT visualization techniques for estimating fluxes through soil at the field scale....... to explain water, air, and solute transport through soil. Forty-five soil columns (20 by 20 cm) were collected from an agricultural field in Estrup, Denmark, and subsequently scanned using a medical CT scanner. Nonreactive tracer leaching experiments were performed in the laboratory along with measurements...

  17. Designing Interfaces

    CERN Document Server

    Tidwell, Jenifer

    2010-01-01

    Despite all of the UI toolkits available today, it's still not easy to design good application interfaces. This bestselling book is one of the few reliable sources to help you navigate through the maze of design options. By capturing UI best practices and reusable ideas as design patterns, Designing Interfaces provides solutions to common design problems that you can tailor to the situation at hand. This updated edition includes patterns for mobile apps and social media, as well as web applications and desktop software. Each pattern contains full-color examples and practical design advice th

  18. Water temperature effect on upward air-water flow in a vertical pipe: Local measurements database using four-sensor conductivity probes and LDA

    Science.gov (United States)

    Monrós-Andreu, G.; Chiva, S.; Martínez-Cuenca, R.; Torró, S.; Juliá, J. E.; Hernández, L.; Mondragón, R.

    2013-04-01

    Experimental work was carried out to study the effects of temperature variation in bubbly, bubbly to slug transition. Experiments were carried out in an upward air-water flow configuration. Four sensor conductivity probes and LDA techniques was used together for the measurement of bubble parameters. The aim of this paper is to provide a bubble parameter experimental database using four-sensor conductivity probes and LDA technique for upward air-water flow at different temperatures and also show transition effect in different temperatures under the boiling point.

  19. Water temperature effect on upward air-water flow in a vertical pipe: Local measurements database using four-sensor conductivity probes and LDA

    Directory of Open Access Journals (Sweden)

    Hernández L.

    2013-04-01

    Full Text Available Experimental work was carried out to study the effects of temperature variation in bubbly, bubbly to slug transition. Experiments were carried out in an upward air-water flow configuration. Four sensor conductivity probes and LDA techniques was used together for the measurement of bubble parameters. The aim of this paper is to provide a bubble parameter experimental database using four-sensor conductivity probes and LDA technique for upward air-water flow at different temperatures and also show transition effect in different temperatures under the boiling point.

  20. Surface tension dominates insect flight on fluid interfaces.

    Science.gov (United States)

    Mukundarajan, Haripriya; Bardon, Thibaut C; Kim, Dong Hyun; Prakash, Manu

    2016-03-01

    Flight on the 2D air-water interface, with body weight supported by surface tension, is a unique locomotion strategy well adapted for the environmental niche on the surface of water. Although previously described in aquatic insects like stoneflies, the biomechanics of interfacial flight has never been analysed. Here, we report interfacial flight as an adapted behaviour in waterlily beetles (Galerucella nymphaeae) which are also dexterous airborne fliers. We present the first quantitative biomechanical model of interfacial flight in insects, uncovering an intricate interplay of capillary, aerodynamic and neuromuscular forces. We show that waterlily beetles use their tarsal claws to attach themselves to the interface, via a fluid contact line pinned at the claw. We investigate the kinematics of interfacial flight trajectories using high-speed imaging and construct a mathematical model describing the flight dynamics. Our results show that non-linear surface tension forces make interfacial flight energetically expensive compared with airborne flight at the relatively high speeds characteristic of waterlily beetles, and cause chaotic dynamics to arise naturally in these regimes. We identify the crucial roles of capillary-gravity wave drag and oscillatory surface tension forces which dominate interfacial flight, showing that the air-water interface presents a radically modified force landscape for flapping wing flight compared with air.

  1. Predicting the pKa and stability of organic acids and bases at an oil-water interface

    DEFF Research Database (Denmark)

    Andersson, Martin Peter; Olsson, Mats Henrik Mikael; Stipp, Susan Louise Svane

    2014-01-01

    charge density of the molecules that accumulate at the fluid-fluid interface. We have estimated the pKa by comparing the stability of the protonated and unprotonated forms of a series of molecules in the bulk aqueous solution and at an interface where parts of each molecule reside in the hydrophobic...... phase and the rest remains in the hydrophilic phase. We found that the pKa for acids is shifted by ∼1 pH unit to higher values compared to the bulk water pKa, whereas they are shifted to lower values by a similar amount for bases. Because this pKa shift is similar in magnitude for each of the molecules...

  2. Modelling of Hybrid Materials and Interface Defects through Homogenization Approach for the Prediction of Effective Thermal Conductivity of FRP Composites Using Finite Element Method

    Directory of Open Access Journals (Sweden)

    C. Mahesh

    2013-01-01

    Full Text Available Finite element method is effectively used to homogenize the thermal conductivity of FRP composites consisting of hybrid materials and fibre-matrix debonds at some of the fibres. The homogenized result at microlevel is used to determine the property of the layer using macromechanics principles; thereby, it is possible to minimize the computational efforts required to solve the problem as in state through only micromechanics approach. The working of the proposed procedure is verified for three different problems: (i hybrid composite having two different fibres in alternate layers, (ii fibre-matrix interface debond in alternate layers, and (iii fibre-matrix interface debond at one fibre in a group of four fibres in one unit cell. It is observed that the results are in good agreement with those obtained through pure micro-mechanics approach.

  3. Dnmt3b Methylates DNA by a Noncooperative Mechanism, and Its Activity Is Unaffected by Manipulations at the Predicted Dimer Interface.

    Science.gov (United States)

    Norvil, Allison B; Petell, Christopher J; Alabdi, Lama; Wu, Lanchen; Rossie, Sandra; Gowher, Humaira

    2016-11-04

    The catalytic domains of the de novo DNA methyltransferases Dnmt3a-C and Dnmt3b-C are highly homologous. However, their unique biochemical properties could potentially contribute to differences in the substrate preferences or biological functions of these enzymes. Dnmt3a-C forms tetramers through interactions at the dimer interface, which also promote multimerization on DNA and cooperativity. Similar to the case for processive enzymes, cooperativity allows Dnmt3a-C to methylate multiple sites on the same DNA molecule; however, it is unclear whether Dnmt3b-C methylates DNA by a cooperative or processive mechanism. The importance of the tetramer structure and cooperative mechanism is emphasized by the observation that the R882H mutation in the dimer interface of DNMT3A is highly prevalent in acute myeloid leukemia and leads to a substantial loss of its activity. Under conditions that distinguish between cooperativity and processivity, we show that in contrast to that of Dnmt3a-C, the activity of Dnmt3b-C is not cooperative and confirm the processivity of Dnmt3b-C and the full length Dnmt3b enzyme. Whereas the R878H mutation (mouse homologue of R882H) led to the loss of cooperativity of Dnmt3a-C, the activity and processivity of the analogous Dnmt3b-C R829H variant were comparable to those of the wild-type enzyme. Additionally, buffer acidification that attenuates the dimer interface interactions of Dnmt3a-C had no effect on Dnmt3b-C activity. Taken together, these results demonstrate an important mechanistic difference between Dnmt3b and Dnmt3a and suggest that interactions at the dimer interface may play a limited role in regulating Dnmt3b-C activity. These new insights have potential implications for the distinct biological roles of Dnmt3a and Dnmt3b.

  4. Gesture Interfaces

    NARCIS (Netherlands)

    Fikkert, F.W.

    2007-01-01

    Take away mouse and keyboard. Now, how do you interact with a computer? Especially one that has a display that is the size of an entire wall. One possibility is through gesture interfaces. Remember Minority Report? Cool stuff, but that was already five years ago.. So, what is already possible now an

  5. Manufacturing Interfaces

    NARCIS (Netherlands)

    Houten, van F.J.A.M.

    1992-01-01

    The paper identifies the changing needs and requirements with respect to the interfacing of manufacturing functions. It considers the manufacturing system, its components and their relationships from the technological and logistic point of view, against the background of concurrent engineering. Desi

  6. Testing Interfaces

    DEFF Research Database (Denmark)

    Holbøll, Joachim T.; Henriksen, Mogens; Nilson, Jesper K.;

    1999-01-01

    The wide use of solid insulating materials combinations in combinations has introduced problems in the interfaces between components. The most common insulating materials are cross-linked polyethylene (XLPE), silicone rubber (SIR) and ethylene-propylene rubbers (EPR). Assemblies of these materials...

  7. Reynolds and froude number effect on the flow past an interface-piercing circular cylinder

    Directory of Open Access Journals (Sweden)

    Koo Bonguk

    2014-09-01

    Full Text Available The two-phase turbulent flow past an interface-piercing circular cylinder is studied using a high-fidelity orthogonal curvilinear grid solver with a Lagrangian dynamic subgrid-scale model for large-eddy simulation and a coupled level set and volume of fluid method for air-water interface tracking. The simulations cover the sub-critical and critical and post critical regimes of the Reynolds and sub and super-critical Froude numbers in order to investigate the effect of both dimensionless parameters on the flow. Significant changes in flow features near the air-water interface were observed as the Reynolds number was increased from the sub-critical to the critical regime. The interface makes the separation point near the interface much delayed for all Reynolds numbers. The separation region at intermediate depths is remarkably reduced for the critical Reynolds number regime. The deep flow resembles the single-phase turbulent flow past a circular cylinder, but includes the effect of the free-surface and the limited span length for sub-critical Reynolds numbers. At different Froude numbers, the air-water interface exhibits significantly changed structures, including breaking bow waves with splashes and bubbles at high Froude numbers. Instantaneous and mean flow features such as interface structures, vortex shedding, Reynolds stresses, and vorticity transport are also analyzed. The results are compared with reference experimental data available in the literature. The deep flow is also compared with the single-phase turbulent flow past a circular cylinder in the similar ranges of Reynolds numbers. Discussion is provided concerning the limitations of the current simulations and available experimental data along with future research

  8. Slug flow transitions in horizontal gas/liquid two-phase flows. Dependence on channel height and system pressure for air/water and steam/water two-phase flows

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, Hideo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1996-05-01

    The slug flow transitions and related phenomena for horizontal two-phase flows were studied for a better prediction of two-phase flows that typically appear during the reactor loss-of-coolant accidents (LOCAs). For better representation of the flow conditions experimentally, two large-scaled facility: TPTF for high-pressure steam/water two-phase flows and large duct test facility for air/water two-phase flows, were used. The visual observation of the flow using a video-probe was performed in the TPTF experiments for good understanding of the phenomena. The currently-used models and correlations based mostly on the small-scale low-pressure experiments were reviewed and improved based on these experimental results. The modified Taitel-Dukler model for prediction of transition into slug flow from wavy flow and the modified Steen-Wallis correlation for prediction of onset of liquid entrainment from the interfacial waves were obtained. An empirical correlation for the gas-liquid interfacial friction factor was obtained further for prediction of liquid levels at wavy flow. The region of slug flow regime that is generally under influences of the channel height and system pressure was predicted well when these models and correlations were applied together. (author). 90 refs.

  9. Spontaneous Polymerization of An Amino Acid Based Amphiphile at Air/water Interface Investigated by ESI-MS and Transmission IR Spectrometry

    Institute of Scientific and Technical Information of China (English)

    WANG Hai-Yan; XIAO Yi; LI Yan-Mei; WU Li-Xin; YU Zhi-Wu; ZHAO Yu-Fen

    2003-01-01

    @@ Self-assemblies of amphiphilic molecules are proposed to play a ubiquitous role at the early stages of evolution in the formation of primitive biopolymers. [1] As regard to the significance of N-phosphoryl amino acids as a model for the co-evolution of protein and nucleic acids at the prebiotic stage, [2] amphiphilic N-phosphoryl amino acids with two hydrophobic tails were synthesized. [3

  10. Adaptive chemistry of bifunctional gold nanoparticles at the air/water interface. A synchrotron X-ray study of giant amphiphiles

    DEFF Research Database (Denmark)

    Nørgaard, K.; Weygand, M.J.; Kjær, K.

    2004-01-01

    of environmental responsiveness, as they adapt to an amphiphilic distribution of ligands around the gold core when spread at the water surface. Likewise nanoparticles of mixed long and short alkyl chains respond to lateral pressure by adopting a structure where the short alkyl chains determine the in-plane nearest...... neighbor distance while the long alkyl chains determine the film thickness. Based on X-ray reflectivity measurements, which quantitatively account for the electron density in the monolayers, combined with GIRD we calculate the average size and number of atoms of the individual gold particle cores...

  11. Fullerene films and fullerene-dodecylamine adduct monolayers at air-water interfaces studied by neutron and x-ray reflection

    DEFF Research Database (Denmark)

    Wang, J.Y.; Vaknin, D.; Uphaus, R.A.;

    1994-01-01

    Neutron and X-ray reflection measurements and surface pressure isotherms of spread films of the fullerene-dodecylamine adduct C60-[NH2(CH2)11CH3]x all indicate that this material may form monomolecular layers on water surfaces. The reflection data sets (neutron on both H2O and D2O) can be accounted...

  12. The interaction of mefloquine hydrochloride with cell membrane models at the air-water interface is modulated by the monolayer lipid composition.

    Science.gov (United States)

    Goto, Thiago Eichi; Caseli, Luciano

    2014-10-01

    The antiparasitic properties of antiparasitic drugs are believed to be associated with their interactions with the protozoan membrane, encouraging research on the identification of membrane sites capable of drug binding. In this study, we investigated the interaction of mefloquine hydrochloride, known to be effective against malaria, with cell membrane models represented by Langmuir monolayers of selected lipids. It is shown that even small amounts of the drug affect the surface pressure-area isotherms as well as surface vibrational spectra of some lipid monolayers, which points to a significant interaction. The effects on the latter depend on the electrical charge of the monolayer-forming molecules, with the drug activity being particularly distinctive for negatively charged lipids. Therefore, the lipid composition of the monolayer modulates the interaction with the lipophilic drug, which may have important implications in understanding how the drug acts on specific sites of the protozoan membrane.

  13. CdSe magic-sized quantum dots incorporated in biomembrane models at the air-water interface composed of components of tumorigenic and non-tumorigenic cells.

    Science.gov (United States)

    Goto, Thiago E; Lopes, Carla C; Nader, Helena B; Silva, Anielle C A; Dantas, Noelio O; Siqueira, José R; Caseli, Luciano

    2016-07-01

    Cadmium selenide (CdSe) magic-sized quantum dots (MSQDs) are semiconductor nanocrystals with stable luminescence that are feasible for biomedical applications, especially for in vivo and in vitro imaging of tumor cells. In this work, we investigated the specific interaction of CdSe MSQDs with tumorigenic and non-tumorigenic cells using Langmuir monolayers and Langmuir-Blodgett (LB) films of lipids as membrane models for diagnosis of cancerous cells. Surface pressure-area isotherms and polarization modulation reflection-absorption spectroscopy (PM-IRRAS) showed an intrinsic interaction between the quantum dots, inserted in the aqueous subphase, and Langmuir monolayers constituted either of selected lipids or of tumorigenic and non-tumorigenic cell extracts. The films were transferred to solid supports to obtain microscopic images, providing information on their morphology. Similarity between films with different compositions representing cell membranes, with or without the quantum dots, was evaluated by atomic force microscopy (AFM) and confocal microscopy. This study demonstrates that the affinity of quantum dots for models representing cancer cells permits the use of these systems as devices for cancer diagnosis.

  14. Miscibility of Two Components in a Binary Mixture of 9-Phenyl Anthracene Mixed with Stearic Acid or Polymethyl Methacrylate at Air-Water Interface

    Institute of Scientific and Technical Information of China (English)

    P. K. Paul; Md. N. Islam; D. Bhattacharjee; S. A. Hussain

    2007-01-01

    We report the miscibility characteristics of two components in a binary mixture of 9-phenyl anthracene (PA) mixed with stearic acid (SA) or polymethyl methacrylate (PMMA). The behaviour of surface pressure versus area per molecule isotherms reveal that the area per molecule decreases systematically with increasing molefractions of PA. The characteristics of areas per molecule versus molefractions and collapse pressure vs molefraction indicate that various interactions involved among the sample and matrix molecules. The interaction scheme is found to change with the change in surface pressure and molefraction of mixing. Scanning electron microscopic study confirms the aggregation of PA molecules in the mixed films.

  15. Determination of molecular groups involved in the interaction of annexin A5 with lipid membrane models at the air-water interface.

    Science.gov (United States)

    Fezoua-Boubegtiten, Zahia; Desbat, Bernard; Brisson, Alain; Lecomte, Sophie

    2010-06-01

    Annexin A5 (AnxA5) is a member of a family of homologous proteins sharing the ability to bind to negatively charged phospholipid membranes in a Ca(2+)-dependent manner. In this paper, we used polarization-modulated infrared reflection absorption spectroscopy (PMIRRAS), Brewster angle microscopy (BAM), and ellipsometry to investigate changes both in the structure of AnxA5 and phospholipid head groups associated with membrane binding. We found that the secondary structure of AnxA5 in the AnxA5/Ca(2+)/lipid ternary complex is conserved, mainly in alpha-helices and the average orientation of the alpha-helices of the protein is slightly tilted with respect to the normal to the phospholipid monolayer. Upon interaction between AnxA5 and phospholipids, a shift of the nu(as) PO(2)(-) band is observed by PMIRRAS. This reveals that the phosphate group is the main group involved in the binding of AnxA5 to phospholipids via Ca(2+) ions, even when some carboxylate groups are accessible (PS). PMIRRAS spectra also indicate a change of carboxylate orientation in the aspartate and glutamate residues implicated in the association of the AnxA5, which could be linked to the 2D crystallization of protein under the phospholipid monolayer. Finally, we demonstrated that the interaction of AnxA5 with pure carboxylate groups of an oleic acid monolayer is possible, but the orientation of the protein under the lipid is completely different.

  16. X-ray grazing incidence studies of the 2D crystallization of monolayers of 1-alcohols at the air water interface

    DEFF Research Database (Denmark)

    Legrand, J.F.; Renault, A.; Konovalov, O.

    1994-01-01

    A new undulator producing an X-ray beam of high brilliance has been used at the European Synchrotron Radiation Facility (ESRF, Beamline-9, Troika) for investigating the structure of two-dimensional crystals of 1-tetradecanol, 1-dodecanol, 1-decanol and 1-nonanol. These fatty alcohols...

  17. Interface learning

    DEFF Research Database (Denmark)

    Thorhauge, Sally

    2014-01-01

    "Interface learning - New goals for museum and upper secondary school collaboration" investigates and analyzes the learning that takes place when museums and upper secondary schools in Denmark work together in local partnerships to develop and carry out school-related, museum-based coursework...... for students. The research focuses on the learning that the students experience in the interface of the two learning environments: The formal learning environment of the upper secondary school and the informal learning environment of the museum. Focus is also on the learning that the teachers and museum...... professionals experience as a result of their collaboration. The dissertation demonstrates how a given partnership’s collaboration affects the students’ learning experiences when they are doing the coursework. The dissertation presents findings that museum-school partnerships can use in order to develop...

  18. Museets interface

    DEFF Research Database (Denmark)

    Pold, Søren

    2007-01-01

    Søren Pold gør sig overvejelser med udgangspunkt i museumsprojekterne Kongedragter.dk og Stigombord.dk. Han argumenterer for, at udviklingen af internettets interfaces skaber nye måder at se, forstå og interagere med kulturen på. Brugerne får nye medievaner og perceptionsmønstre, der må medtænkes i...

  19. Museets interface

    DEFF Research Database (Denmark)

    Pold, Søren

    2007-01-01

    Søren Pold gør sig overvejelser med udgangspunkt i museumsprojekterne Kongedragter.dk og Stigombord.dk. Han argumenterer for, at udviklingen af internettets interfaces skaber nye måder at se, forstå og interagere med kulturen på. Brugerne får nye medievaner og perceptionsmønstre, der må medtænkes i...

  20. Hydrophobic recovery of repeatedly plasma-treated silicone rubber .2. A comparison of the hydrophobic recovery in air, water, or liquid nitrogen

    NARCIS (Netherlands)

    Everaert, EP; VanderMei, HC; Busscher, HJ

    1996-01-01

    Surfaces of medical grade silicone rubber (Q7-4750, Dow Coming) were modified by repeated (six times) RF plasma treatments using various discharge gases: oxygen, argon, carbon dioxide, and ammonia. The treated samples were stored for a period of 3 months in ambient air, water, or liquid nitrogen. Su

  1. Simulating the Vapour Phase Air/Water Exchange of p,p′-DDE, p,p′-DDT, Lindane, and 2,3,7,8-Tetrachlorodibenzodioxin

    Science.gov (United States)

    Uncertainties in our understanding of gaseous air/water exchange have emerged as major sources of concern in efforts to construct global and regional mass balances of both the green house gas carbon dioxide and semi-volatile persistent, bioaccumulative and toxic chemicals. Hoff e...

  2. Uranyl ion interaction at the water/NiO(100) interface: A predictive investigation by first-principles molecular dynamic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Sebbari, Karim [EDF-R and D, Departement Materiaux et Mecanique des Composants, Les Renardieres, Ecuelles, 77818 Moret Sur Loing (France); Institut de Physique Nucleaire d' Orsay, Universite Paris-Sud, CNRS UMR 8608, 15 rue Georges Clemenceau, Batiment 100, 91406 Orsay Cedex (France); Roques, Jerome; Simoni, Eric [Institut de Physique Nucleaire d' Orsay, Universite Paris-Sud, CNRS UMR 8608, 15 rue Georges Clemenceau, Batiment 100, 91406 Orsay Cedex (France); Domain, Christophe [EDF-R and D, Departement Materiaux et Mecanique des Composants, Les Renardieres, Ecuelles, 77818 Moret Sur Loing (France)

    2012-10-28

    The behavior of the UO{sub 2}{sup 2+} uranyl ion at the water/NiO(100) interface was investigated for the first time using Born-Oppenheimer molecular dynamic simulations with the spin polarized DFT +U extension. A water/NiO(100) interface model was first optimized on a defect-free five layers slab thickness, proposed as a reliable surface model, with an explicit treatment of the solvent. Water molecules are adsorbed with a well-defined structure in a thickness of about 4 A above the surface. The first layer, adsorbed on nickel atoms, remains mainly in molecular form but can partly dissociate at 293 K. Considering low acidic conditions, a bidentate uranyl ion complex was characterized on two surface oxygen species (arising from water molecules adsorption on nickel atoms) with d{sub U-O{sub a{sub d{sub s{sub o{sub r{sub p{sub t{sub i{sub o{sub n}}}}}}}}}}}=2.39 A. This complex is stable at 293 K due to iono-covalent bonds with an estimated charge transfer of 0.58 electron from the surface to the uranyl ion.

  3. Uranyl ion interaction at the water/NiO(100) interface: a predictive investigation by first-principles molecular dynamic simulations.

    Science.gov (United States)

    Sebbari, Karim; Roques, Jérôme; Domain, Christophe; Simoni, Eric

    2012-10-28

    The behavior of the UO(2)(2+) uranyl ion at the water/NiO(100) interface was investigated for the first time using Born-Oppenheimer molecular dynamic simulations with the spin polarized DFT + U extension. A water/NiO(100) interface model was first optimized on a defect-free five layers slab thickness, proposed as a reliable surface model, with an explicit treatment of the solvent. Water molecules are adsorbed with a well-defined structure in a thickness of about 4 Å above the surface. The first layer, adsorbed on nickel atoms, remains mainly in molecular form but can partly dissociate at 293 K. Considering low acidic conditions, a bidentate uranyl ion complex was characterized on two surface oxygen species (arising from water molecules adsorption on nickel atoms) with d(U-O(adsorption))=2.39 Å. This complex is stable at 293 K due to iono-covalent bonds with an estimated charge transfer of 0.58 electron from the surface to the uranyl ion.

  4. Tunable nanoparticle arrays at charged interfaces.

    Science.gov (United States)

    Srivastava, Sunita; Nykypanchuk, Dmytro; Fukuto, Masafumi; Gang, Oleg

    2014-10-28

    Structurally tunable two-dimensional (2D) arrays of nanoscale objects are important for modulating functional responses of thin films. We demonstrate that such tunable and ordered nanoparticles (NP) arrays can be assembled at charged air-water interfaces from nanoparticles coated with polyelectrolyte chains, DNA. The electrostatic attraction between the negatively charged nonhybridizing DNA-coated gold NPs and a positively charged lipid layer at the interface facilitates the formation of a 2D hexagonally closed packed (HCP) nanoparticle lattice. We observed about 4-fold change of the monolayer nanoparticle density by varying the ionic strength of the subphase. The tunable NP arrays retain their structure reasonably well when transferred to a solid support. The influence of particle's DNA corona and lipid layer composition on the salt-induced in-plane and normal structural evolution of NP arrays was studied in detail using a combination of synchrotron-based in situ surface scattering methods, grazing incidence X-ray scattering (GISAXS), and X-ray reflectivity (XRR). Comparative analysis of the interparticle distances as a function of ionic strength reveals the difference between the studied 2D nanoparticle arrays and analogous bulk polyelectrolyte star polymers systems, typically described by Daoud-Cotton model and power law scaling. The observed behavior of the 2D nanoparticle array manifests a nonuniform deformation of the nanoparticle DNA corona due to its electrostatically induced confinement at the lipid interface. The present study provides insight on the interfacial properties of the NPs coated with charged soft shells.

  5. Around a camphoric-acid boat, is the surfactant adsorbed on to the interface or dissolved in the bulk?

    Science.gov (United States)

    Mandre, Shreyas; Akella, Sathish; Singh, Dhiraj; Singh, Ravi; Bandi, Mahesh

    2016-11-01

    A camphoric-acid boat (c-boat for short), a cylindrical gel tablet infused with camphoric acid, moves spontaneously when placed on an air-water interface. This system is a classic example of propulsion driven by Marangoni forces. Despite rich history on particles propelled by Marangoni forces, including contributions by figures such as Benjamin Franklin, Allesandro Volta, and Giovanni Venturi, the underlying fluid dynamics remains poorly understood. A key missing piece is the nature of the surfactant; in our case, the question is whether the camphoric acid is dissolved in the bulk or adsorbed on to the interface. We gain insight into this piece by holding the c-boat stationary and measuring the surrounding axisymmetric flow velocity to a precision needed to distinguish between the two possibilities. For soluble surfactants, it is known that the velocity field decays as r - 2 / 3, where r is the distance from the center of the c-boat. Whereas, for surfactant adsorbed on to the air-water interface, we derive that the surrounding velocity fields decays as r - 3 / 5. Based on our measurements we deduce that, even though soluble in water, the Marangoni flow results from a layer of camphoric acid adsorbed to the air-water interface.

  6. Tunable sound transmission at an impedance-mismatched fluidic interface assisted by a composite waveguide

    Science.gov (United States)

    Zhang, Hui; Wei, Zhi; Fan, Li; Qu, Jianmin; Zhang, Shu-Yi

    2016-10-01

    We report a composite waveguide fabricated by attaching a coupling aperture to a waveguide. The acoustic impedance of the composite waveguide can be regulated by merely controlling its coupling vibrations, depending on its structure size. By changing the size to adjust the acoustic impedance of the composite waveguide at an impedance-mismatched fluidic interface, tunable sound transmission at the desired frequencies is achieved. The reported composite waveguide provides a new method for sound regulation at a mismatched fluidic interface and has extensive frequency hopping and frequency agility applications in air-water sound communication.

  7. Characterization of atmospheric pressure plasma treated pure cashmere and wool/cashmere textiles: Treatment in air/water vapor mixture

    Energy Technology Data Exchange (ETDEWEB)

    Zanini, Stefano, E-mail: stefano.zanini@mib.infn.it [Università degli Studi di Milano-Bicocca, Dipartimento di Fisica “G. Occhialini”, p.za della Scienza, 3, I-20126 Milano (Italy); Grimoldi, Elisa [Università degli Studi di Milano-Bicocca, Dipartimento di Fisica “G. Occhialini”, p.za della Scienza, 3, I-20126 Milano (Italy); Citterio, Attilio [Politecnico di Milano, Dipartimento di Chimica, Materiali ed Ingegneria Chimica “G. Natta”, Via Mancinelli 7, I-20131 Milano (Italy); Riccardi, Claudia, E-mail: riccardi@mib.infn.it [Università degli Studi di Milano-Bicocca, Dipartimento di Fisica “G. Occhialini”, p.za della Scienza, 3, I-20126 Milano (Italy)

    2015-09-15

    Highlights: • We treated cashmere and wool/cashmere textiles with atmospheric pressure plasma. • Wettability of the fabrics was increased. • The increment in wettability derived from a surface oxidation of the fibers. • Only minor etching effects were observed with scanning electron microscopy. - Abstract: We performed atmospheric pressure plasma treatments of pure cashmere and wool/cashmere textiles with a dielectric barrier discharge (DBD) in humid air (air/water vapor mixtures). Treatment parameters have been optimized in order to enhance the wettability of the fabrics without changing their bulk properties as well as their touch. A deep characterization has been performed to study the wettability, the surface morphologies, the chemical composition and the mechanical properties of the plasma treated textiles. The chemical properties of the plasma treated samples were investigated with attenuated total reflectance Fourier transform infrared (FTIR/ATR) spectroscopy and X-ray photoelectron microscopy (XPS). The analyses reveal a surface oxidation of the treated fabrics, which enhances their surface wettability. Morphological characterization of the treated fibers with scanning electron microscopy (SEM) reveals minor etching effects, an essential feature for the maintenance of the textile softness.

  8. Thermal Characteristics of Air-Water Spray Impingement Cooling of Hot Metallic Surface under Controlled Parametric Conditions

    Institute of Scientific and Technical Information of China (English)

    Santosh Kumar Nayak; Purna Chandra Mishra

    2016-01-01

    Experimental results on the thermal characteristics of air-water spray impingement cooling of hot metallic surface are presented and discussed in this paper.The controlling input parameters investigated were the combined air and water pressures,plate thickness,water flow rate,nozzle height from the target surface and initial temperature of the hot surface.The effects of these input parameters on the important thermal characteristics such as heat transfer rate,heat transfer coefficient and wetting front movement were measured and examined.Hot flat plate samples of mild steel with dimension 120 mm in length,120 mm breadth and thickness of 4 mm,6 mm,and 8 mm respectively were tested.The air assisted water spray was found to be an effective cooling media and method to achieve very high heat transfer rate from the surface.Higher heat transfer rate and heat transfer coefficients were obtained for the lesser i.e,4 mm thick plates.Increase in the nozzle height reduced the heat transfer efficiency of spray cooling.At an inlet water pressure of 4 bar and air pressure of 3 bar,maximum cooling rates 670℃/s and average cooling rate of 305.23℃/s were achieved for a temperature of 850℃ of the steel plate.

  9. Liquid-phase turbulence measurements in air-water two-phase flows over a wide range of void fractions

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Xinquan [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W. 19th Ave., Columbus, OH 43210 (United States); Sun, Xiaodong, E-mail: sun.200@osu.edu [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W. 19th Ave., Columbus, OH 43210 (United States); Liu, Yang [Nuclear Engineering Program, Department of Mechanical Engineering, Virginia Tech, 635 Prices Fork Road, Blacksburg, VA 24061 (United States)

    2016-12-15

    This paper focuses on liquid-phase turbulence measurements in air-water two-phase flows over a wide range of void fractions and flow regimes, spanning from bubbly, cap-bubbly, slug, to churn-turbulent flows. The measurements have been conducted in two test facilities, the first one with a circular test section and the second one with a rectangular test section. A particle image velocimetry-planar laser-induced fluorescence (PIV-PLIF) system was used to acquire local liquid-phase turbulence information, including the time-averaged velocity and velocity fluctuations in the streamwise and spanwise directions, and Reynolds stress. An optical phase separation method using fluorescent particles and optical filtration technique was adopted to extract the liquid-phase velocity information. An image pre-processing scheme was imposed on the raw PIV images acquired to remove noise due to the presence of bubble residuals and optically distorted particles in the raw PIV images. Four-sensor conductivity probes and high-speed images were also used to acquire the gas-phase information, which was aimed to understand the flow interfacial structure. The highest area-averaged void fraction covered in the measurements for the circular and rectangular test sections was about 40%.

  10. Voidage Measurement of Air-Water Two-phase Flow Based on ERT Sensor and Data Mining Technology

    Institute of Scientific and Technical Information of China (English)

    王保良; 孟振振; 黄志尧; 冀海峰; 李海青

    2012-01-01

    Based on an electrical resistance tomography(ERT) sensor and the data mining technology,a new voidage measurement method is proposed for air-water two-phase flow.The data mining technology used in this work is a least squares support vector machine(LS-SVM) algorithm together with the feature extraction method,and three feature extraction methods are tested:principal component analysis(PCA),partial least squares(PLS) and independent component analysis(ICA).In the practical voidage measurement process,the flow pattern is firstly identified directly from the conductance values obtained by the ERT sensor.Then,the appropriate voidage measurement model is selected according to the flow pattern identification result.Finally,the voidage is calculated.Experimental results show that the proposed method can measure the voidage effectively,and the measurement accuracy and speed are satisfactory.Compared with the conventional voidage measurement methods based on ERT,the proposed method doesn't need any image reconstruction process,so it has the advantage of good real-time performance.Due to the introduction of flow pattern identification,the influence of flow pattern on the voidage measurement is overcome.Besides,it is demonstrated that the LS-SVM method with PLS feature extraction presents the best measurement performance among the tested methods.

  11. Air-water partition coefficients for a suite of polycyclic aromatic and other C10 through C20 unsaturated hydrocarbons.

    Science.gov (United States)

    Rayne, Sierra; Forest, Kaya

    2016-09-18

    The air-water partition coefficients (Kaw) for 86 large polycyclic aromatic hydrocarbons and their unsaturated relatives were estimated using high-level G4(MP2) gas and aqueous phase calculations with the SMD, IEFPCM-UFF, and CPCM solvation models. An extensive method validation effort was undertaken which involved confirming that, via comparisons to experimental enthalpies of formation, gas-phase energies at the G4(MP2) level for the compounds of interest were at or near thermochemical accuracy. Investigations of the three solvation models using a range of neutral and ionic compounds suggested that while no clear preferential solvation model could be chosen in advance for accurate Kaw estimates of the target compounds, the employment of increasingly higher levels of theory would result in lower Kaw errors. Subsequent calculations on the polycyclic aromatic and unsaturated hydrocarbons at the G4(MP2) level revealed excellent agreement for the IEFPCM-UFF and CPCM models against limited available experimental data. The IEFPCM-UFF-G4(MP2) and CPCM-G4(MP2) solvation energy calculation approaches are anticipated to give Kaw estimates within typical experimental ranges, each having general Kaw errors of less than 0.5 log10 units. When applied to other large organic compounds, the method should allow development of a broad and reliable Kaw database for multimedia environmental modeling efforts on various contaminants.

  12. Nano-size scaling of alloy intra-particle vs. inter-particle separation transitions: prediction of distinctly interface-affected critical behaviour.

    Science.gov (United States)

    Polak, M; Rubinovich, L

    2016-07-21

    Phase-separation second-order transitions in binary alloy particles consisting of ∼1000 up to ∼70 000 atoms (∼1-10 nm) are modeled focusing on the unexplored issue of finite-size scaling in such systems, particularly on evaluation of correlation-length critical exponents. Our statistical-thermodynamic approach is based on mean-field analytical expression for the Ising model free energy that facilitates highly efficient computations furnishing comprehensive data for fcc rectangular nanoparticles (NPs). These are summed up in intra- and inter-particle scaling plots as well as in nanophase separation diagrams. Temperature-induced variations in the interface thickness in Janus-type intra-particle configurations and NP size-dependent shifts in the critical temperature of their transition to solid-solution reflect power-law behavior with the same critical exponent, ν = 0.83. It is attributed to dominant interfacial effects that are absent in inter-particle transitions. Variations in ν with nano-size, as revealed by a refined analysis, are linearly extrapolated in order to bridge the gap to larger particles within and well beyond the nanoscale, ultimately yielding ν = 1.0. Besides these findings, the study indicates the key role of the surface-area to volume ratio as an effective linear size, revealing a universal, particle-shape independent, nanoscaling of the critical-temperature shifts.

  13. The Hyper-Envelope Modeling Interface (HEMI): A Novel Approach Illustrated Through Predicting Tamarisk (Tamarix spp.) Habitat in the Western USA

    Science.gov (United States)

    Graham, Jim; Young, Nick; Jarnevich, Catherine S.; Newman, Greg; Evangelista, Paul; Stohlgren, Thomas J.

    2013-01-01

    Habitat suitability maps are commonly created by modeling a species’ environmental niche from occurrences and environmental characteristics. Here, we introduce the hyper-envelope modeling interface (HEMI), providing a new method for creating habitat suitability models using Bezier surfaces to model a species niche in environmental space. HEMI allows modeled surfaces to be visualized and edited in environmental space based on expert knowledge and does not require absence points for model development. The modeled surfaces require relatively few parameters compared to similar modeling approaches and may produce models that better match ecological niche theory. As a case study, we modeled the invasive species tamarisk (Tamarix spp.) in the western USA. We compare results from HEMI with those from existing similar modeling approaches (including BioClim, BioMapper, and Maxent). We used synthetic surfaces to create visualizations of the various models in environmental space and used modified area under the curve (AUC) statistic and akaike information criterion (AIC) as measures of model performance. We show that HEMI produced slightly better AUC values, except for Maxent and better AIC values overall. HEMI created a model with only ten parameters while Maxent produced a model with over 100 and BioClim used only eight. Additionally, HEMI allowed visualization and editing of the model in environmental space to develop alternative potential habitat scenarios. The use of Bezier surfaces can provide simple models that match our expectations of biological niche models and, at least in some cases, out-perform more complex approaches.

  14. An interface energy density-based theory considering the coherent interface effect in nanomaterials

    Science.gov (United States)

    Yao, Yin; Chen, Shaohua; Fang, Daining

    2017-02-01

    To characterize the coherent interface effect conveniently and feasibly in nanomaterials, a continuum theory is proposed that is based on the concept of the interface free energy density, which is a dominant factor affecting the mechanical properties of the coherent interface in materials of all scales. The effect of the residual strain caused by self-relaxation and the lattice misfit of nanomaterials, as well as that due to the interface deformation induced by an external load on the interface free energy density is considered. In contrast to the existing theories, the stress discontinuity at the interface is characterized by the interface free energy density through an interface-induced traction. As a result, the interface elastic constant introduced in previous theories, which is not easy to determine precisely, is avoided in the present theory. Only the surface energy density of the bulk materials forming the interface, the relaxation parameter induced by surface relaxation, and the mismatch parameter for forming a coherent interface between the two surfaces are involved. All the related parameters are far easier to determine than the interface elastic constants. The effective bulk and shear moduli of a nanoparticle-reinforced nanocomposite are predicted using the proposed theory. Closed-form solutions are achieved, demonstrating the feasibility and convenience of the proposed model for predicting the interface effect in nanomaterials.

  15. Quantitative measurement of size and three-dimensional position of fast-moving bubbles in air-water mixture flows using digital holography.

    Science.gov (United States)

    Tian, Lei; Loomis, Nick; Domínguez-Caballero, José A; Barbastathis, George

    2010-03-20

    We present a digital in-line holographic imaging system for measuring the size and three-dimensional position of fast-moving bubbles in air-water mixture flows. The captured holograms are numerically processed by performing a two-dimensional projection followed by local depth estimation to quickly and efficiently obtain the size and position information of multiple bubbles simultaneously. Statistical analysis on measured bubble size distributions shows that they follow lognormal or gamma distributions.

  16. Interfaces habladas

    Directory of Open Access Journals (Sweden)

    María Teresa Soto Sanfiel

    2012-04-01

    Full Text Available Este artículo describe y piensa al fenómeno de las Interfaces habladas (IH desde variados puntos de vista y niveles de análisis. El texto se ha concebido con los objetivos específicos de: 1.- procurar una visión panorámica de aspectos de la producción y consumo comunicativo de las IH; 2.- ofrecer recomendaciones para su creación y uso eficaz, y 3.- llamar la atención sobre su proliferación e inspirar su estudio desde la comunicación. A pesar de la creciente presencia de las IF en nues-tras vidas cotidianas, hay ausencia de textos que las caractericen y analicen por sus aspectos comunicativos. El trabajo es pertinente porque el fenómeno significa un cambio respecto a estadios comunica-tivos precedentes con consecuencias en las concepciones intelectuales y emocionales de los usuarios. La proliferación de IH nos abre a nue-vas realidades comunicativas: hablamos con máquinas.

  17. Simulation and theory of ions at atmospherically relevant aqueous liquid-air interfaces.

    Science.gov (United States)

    Tobias, Douglas J; Stern, Abraham C; Baer, Marcel D; Levin, Yan; Mundy, Christopher J

    2013-01-01

    Chemistry occurring at or near the surface of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming increasingly useful for gaining atomic-scale insight into the structure and reactivity of aqueous interfaces in the atmosphere. Here we review simulation studies of atmospherically relevant aqueous liquid-air interfaces, with an emphasis on ions that play important roles in the chemistry of atmospheric aerosols. In addition to surveying results from simulation studies, we discuss challenges to the refinement and experimental validation of the methodology for simulating ion adsorption to the air-water interface and recent advances in elucidating the driving forces for adsorption. We also review the recent development of a dielectric continuum theory capable of reproducing simulation and experimental data on ion behavior at aqueous interfaces.

  18. Development of Design Technology on Thermal-Hydraulic Performance in Tight-Lattice Rod Bundles: III - Numerical Evaluation of Fluid Mixing Phenomena using Advanced Interface-Tracking Method -

    Science.gov (United States)

    Yoshida, Hiroyuki; Nagayoshi, Takuji; Takase, Kazuyuki; Akimoto, Hajime

    Thermal-hydraulic design of the current boiling water reactor (BWR) is performed by correlations with empirical results of actual-size tests. However, for the Innovative Water Reactor for Flexible Fuel Cycle (FLWR) core, an actual size test of an embodiment of its design is required to confirm or modify such correlations. Development of a method that enables the thermal-hydraulic design of nuclear reactors without these actual size tests is desired, because these tests take a long time and entail great cost. For this reason we developed an advanced thermal-hydraulic design method for FLWRs using innovative two-phase flow simulation technology. In this study, detailed Two-Phase Flow simulation code using advanced Interface Tracking method: TPFIT is developed to calculate the detailed information of the two-phase flow. We tried to verify the TPFIT code by comparing it with the 2-channel air-water and steam-water mixing experimental results. The predicted result agrees well the observed results and bubble dynamics through the gap and cross flow behavior could be effectively predicted by the TPFIT code, and pressure difference between fluid channels is responsible for the fluid mixing.

  19. Manipulating perfume delivery to the interface using polymer-surfactant interactions.

    Science.gov (United States)

    Bradbury, Robert; Penfold, Jeffrey; Thomas, Robert K; Tucker, Ian M; Petkov, Jordan T; Jones, Craig

    2016-03-15

    Enhanced delivery of perfumes to interfaces is an important element of their effectiveness in a range of home and personal care products. The role of polyelectrolyte-surfactant mixtures to promote perfume adsorption at interfaces is explored here. Neutron reflectivity, NR, was used to quantify the adsorption of the model perfumes phenylethanol, PE, and linalool, LL, at the air-water interface in the presence of the anionic surfactant sodium dodecylsulfate, SDS, and the cationic polyelectrolytes, poly(dimethyldiallyl ammonium chloride), polydmdaac, and poly(ethyleneimine), PEI. The strong SDS-polydmdaac interaction dominates the surface adsorption in SDS-polymer-perfume (PE, LL) mixtures, such that the PE and LL adsorption is greatly suppressed. For PEI-SDS-perfume mixtures the PEI-LL interaction competes with the SDS-PEI interaction at all pH at the surface and significant LL adsorption occurs, whereas for PE the PEI-SDS interaction dominates and the PE adsorption is greatly reduced. The use of the strong surface polyelectrolyte-ionic surfactant interaction to manipulate perfume adsorption at the air-water interface has been demonstrated. In particular the results show how the competition between polyelectrolyte, surfactant and perfume interactions at the surface and in solution affect the partitioning of perfumes to the surface.

  20. The Air-Sea Interface and Surface Stress under Tropical Cyclones

    Science.gov (United States)

    Soloviev, Alexander; Lukas, Roger; Donelan, Mark; Ginis, Isaac

    2013-04-01

    Air-sea interaction dramatically changes from moderate to very high wind speed conditions (Donelan et al. 2004). Unresolved physics of the air-sea interface are one of the weakest components in tropical cyclone prediction models. Rapid disruption of the air-water interface under very high wind speed conditions was reported in laboratory experiments (Koga 1981) and numerical simulations (Soloviev et al. 2012), which resembled the Kelvin-Helmholtz instability at an interface with very large density difference. Kelly (1965) demonstrated that the KH instability at the air-sea interface can develop through parametric amplification of waves. Farrell and Ioannou (2008) showed that gustiness results in the parametric KH instability of the air-sea interface, while the gusts are due to interacting waves and turbulence. The stochastic forcing enters multiplicatively in this theory and produces an exponential wave growth, augmenting the growth from the Miles (1959) theory as the turbulence level increases. Here we complement this concept by adding the effect of the two-phase environment near the mean interface, which introduces additional viscosity in the system (turning it into a rheological system). The two-phase environment includes air-bubbles and re-entering spray (spume), which eliminates a portion of the wind-wave wavenumber spectrum that is responsible for a substantial part of the air sea drag coefficient. The previously developed KH-type interfacial parameterization (Soloviev and Lukas 2010) is unified with two versions of the wave growth model. The unified parameterization in both cases exhibits the increase of the drag coefficient with wind speed until approximately 30 m/s. Above this wind speed threshold, the drag coefficient either nearly levels off or even slightly drops (for the wave growth model that accounts for the shear) and then starts again increasing above approximately 65 m/s wind speed. Remarkably, the unified parameterization reveals a local minimum

  1. Active matter clusters at interfaces.

    Directory of Open Access Journals (Sweden)

    Katherine eCopenhagen

    2016-03-01

    Full Text Available Collective and directed motility or swarming is an emergent phenomenon displayed by many self-organized assemblies of active biological matter such as clusters of embryonic cells during tissue development, cancerous cells during tumor formation and metastasis, colonies of bacteria in a biofilm, or even flocks of birds and schools of fish at the macro-scale. Such clusters typically encounter very heterogeneous environments. What happens when a cluster encounters an interface between two different environments has implications for its function and fate. Here we study this problem by using a mathematical model of a cluster that treats it as a single cohesive unit that moves in two dimensions by exerting a force/torque per unit area whose magnitude depends on the nature of the local environment. We find that low speed (overdamped clusters encountering an interface with a moderate difference in properties can lead to refraction or even total internal reflection of the cluster. For large speeds (underdamped, where inertia dominates, the clusters show more complex behaviors crossing the interface multiple times and deviating from the predictable refraction and reflection for the low velocity clusters. We then present an extreme limit of the model in the absence of rotational damping where clusters can become stuck spiraling along the interface or move in large circular trajectories after leaving the interface. Our results show a wide range of behaviors that occur when collectively moving active biological matter moves across interfaces and these insights can be used to control motion by patterning environments.

  2. Active matter clusters at interfaces.

    Science.gov (United States)

    Copenhagen, Katherine; Gopinathan, Ajay

    2016-03-01

    Collective and directed motility or swarming is an emergent phenomenon displayed by many self-organized assemblies of active biological matter such as clusters of embryonic cells during tissue development, cancerous cells during tumor formation and metastasis, colonies of bacteria in a biofilm, or even flocks of birds and schools of fish at the macro-scale. Such clusters typically encounter very heterogeneous environments. What happens when a cluster encounters an interface between two different environments has implications for its function and fate. Here we study this problem by using a mathematical model of a cluster that treats it as a single cohesive unit that moves in two dimensions by exerting a force/torque per unit area whose magnitude depends on the nature of the local environment. We find that low speed (overdamped) clusters encountering an interface with a moderate difference in properties can lead to refraction or even total internal reflection of the cluster. For large speeds (underdamped), where inertia dominates, the clusters show more complex behaviors crossing the interface multiple times and deviating from the predictable refraction and reflection for the low velocity clusters. We then present an extreme limit of the model in the absence of rotational damping where clusters can become stuck spiraling along the interface or move in large circular trajectories after leaving the interface. Our results show a wide range of behaviors that occur when collectively moving active biological matter moves across interfaces and these insights can be used to control motion by patterning environments.

  3. Experimental study on two-phase flow natural circulation in a core catcher cooling channel for EU-APR1400 using air-water system

    Energy Technology Data Exchange (ETDEWEB)

    Song, Ki Won [Division of Advanced Nuclear Engineering, POSTECH, Pohang 790-784 (Korea, Republic of); Korea Atomic Energy Research Institute, Daejeon 34057 (Korea, Republic of); Nguyen, Thanh Hung [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47906 (United States); Ha, Kwang Soon; Kim, Hwan Yeol; Song, Jinho [Korea Atomic Energy Research Institute, Daejeon 34057 (Korea, Republic of); Park, Hyun Sun [Division of Advanced Nuclear Engineering, POSTECH, Pohang 790-784 (Korea, Republic of); Revankar, Shripad T., E-mail: shripad@postech.ac.kr [Division of Advanced Nuclear Engineering, POSTECH, Pohang 790-784 (Korea, Republic of); School of Nuclear Engineering, Purdue University, West Lafayette, IN 47906 (United States); Kim, Moo Hwan [Division of Advanced Nuclear Engineering, POSTECH, Pohang 790-784 (Korea, Republic of); Korea Institute of Nuclear Safety, Daejeon 305-338 (Korea, Republic of)

    2017-05-15

    Highlights: • Two-phase flow regimes and transition behavior were observed in the coolant channel. • Test were conducted for natural circulation with air-water. • Data were obtained on flow regime, void fraction, flow rates and re-wetting time. • The data were related to a cooling capability of core catcher system. - Abstract: Ex-vessel core catcher cooling system driven by natural circulation is designed using a full scaled air-water system. A transparent half symmetric section of a core catcher coolant channel of a pressurized water reactor was designed with instrumentations for local void fraction measurement and flow visualization. Two designs of air-water top separator water tanks are studied including one with modified ‘super-step’ design which prevents gas entrainment into down-comer. In the experiment air flow rates are set corresponding to steam generation rate for given corium decay power. Measurements of natural circulation flow rate, spatial local void fraction distribution and re-wetting time near the top wall are carried out for various air flow rates which simulate boiling-induced vapor generation. Since heat transfer and critical heat flux are strongly dependent on the water mass flow rate and development of two-phase flow on the heated wall, knowledge of two-phase flow characteristics in the coolant channel is essential. Results on flow visualization showing two phase flow structure specifically near the high void accumulation regions, local void profiles, rewetting time, and natural circulation flow rate are presented for various air flow rates that simulate corium power levels. The data are useful in assessing the cooling capability of and safety of the core catcher system.

  4. Measurement of air distribution and void fraction of an upwards air-water flow using electrical resistance tomography and a wire-mesh sensor

    Science.gov (United States)

    Olerni, Claudio; Jia, Jiabin; Wang, Mi

    2013-03-01

    Measurements on an upwards air-water flow are reported that were obtained simultaneously with a dual-plane electrical resistance tomograph (ERT) and a wire-mesh sensor (WMS). The ultimate measurement target of both ERT and WMS is the same, the electrical conductivity of the medium. The ERT is a non-intrusive device whereas the WMS requires a net of wires that physically crosses the flow. This paper presents comparisons between the results obtained simultaneously from the ERT and the WMS for evaluation and calibration of the ERT. The length of the vertical testing pipeline section is 3 m with an internal diameter of 50 mm. Two distinct sets of air-water flow rate scenarios, bubble and slug regimes, were produced in the experiments. The fast impedance camera ERT recorded the data at an approximate time resolution of 896 frames per second (fps) per plane in contrast with the 1024 fps of the wire-mesh sensor WMS200. The set-up of the experiment was based on well established knowledge of air-water upwards flow, particularly the specific flow regimes and wall peak effects. The local air void fraction profiles and the overall air void fraction were produced from two systems to establish consistency for comparison of the data accuracy. Conventional bulk flow measurements in air mass and electromagnetic flow metering, as well as pressure and temperature, were employed, which brought the necessary calibration to the flow measurements. The results show that the profiles generated from the two systems have a certain level of inconsistency, particularly in a wall peak and a core peak from the ERT and WMS respectively, whereas the two tomography instruments achieve good agreement on the overall air void fraction for bubble flow. For slug flow, when the void fraction is over 30%, the ERT underestimates the void fraction, but a linear relation between ERT and WMS is still observed.

  5. In situ Observation of the Photochromism in the Langmuir Monolayer of a Non—typical Amphiphilic Spiropyran Derivative at the Air/Water Interface

    Institute of Scientific and Technical Information of China (English)

    贡浩飞; 唐季安; 王聪敏; 樊美公; 刘鸣华

    2003-01-01

    In situ photochromic process in the monolayer of aphotochromic spiropyran derivative without long alkyl chain,was investigated.The photochromism at the air/water interface under differnet surface pressures was studied by surface pressure-area isotherms,surface pressure-time curves,area-time curves and Brewster angle microscopy.Both forms of the compound were found to form monolayers at the air/water interface althouhg it does not have long alkyl chain.A large area expansion in the monolayer corresponding to a zreoth order reaction was found at the initial stage of the UV light irradiation.A series of dynamic investigations revealed that at high pressure after phase transition in the monolayer,the surface pressure changes greatly umder alternative irradiation of UV and visible light.An obvious morphological change accompanying with the photochromism was observed in situ.

  6. Correlation of Oil-Water and Air-Water Contact Angles of Diverse Silanized Surfaces and Relationship to Fluid Interfacial Tensions

    Energy Technology Data Exchange (ETDEWEB)

    Grate, Jay W.; Dehoff, Karl J.; Warner, Marvin G.; Pittman, Jonathan W.; Wietsma, Thomas W.; Zhang, Changyong; Oostrom, Martinus

    2012-02-24

    The use of air-water, {Theta}{sub wa}, or air-liquid contact angles is customary in surface science, while oil-water contact angles {Theta}{sub ow}, are of paramount importance in subsurface multiphase flow phenomena including petroleum reocovery, nonaqueous phase liquid fate and transport, and geological carbon sequestration. In this paper we determine both the air-water and oil-water contact angles of silica surfaces modified with a diverse selection of silanes, using hexadecane as the oil. The silanes included alkylsilanes, alkylarylsilanes, and silanes with alkyl or aryl groups that are functionalized with heteroatoms such as N, O, and S. These silanes yielded surfaces with wettabilities from water-wet to oil wet, including specific silanized surfaces functionalized with heteroatoms that yield intermediate wet surfaces. The oil-water contact angles for clean and silanized surfaces, excluding one partially fluorinated surface, correlate linearly with air-water contact angles with a slope of 1.41 (R = 0.981, n = 13). These data were used to examine a previously untested theoretical treatment relating air-water and oil-water contact angles in terms of fluid interfacial energies. Plotting the cosines of these contact angles against one another, we obtain a linear relationship in excellent agreement with the theoretical treatment; the data fit cos {Theta}{sub ow} = 0.667 cos {Theta}{sub ow} + 0.384 (R = 0.981, n = 13), intercepting cos {Theta}{sub ow} = -1 at -0.284. The theoretical slope, based on the fluid interfacial tensions {Theta}{sub wa}, {Theta}{sub ow}, and {Theta}{sub oa}, is 0.67. We also demonstrate how silanes can be used to alter the wettability of the interior of a pore network micromodel device constructed in silicon/silica with a glass cover plate. Such micromodels are used to study multiphase flow phenomena. The contact angle of the resulting interior was determined in situ. An intermediate wet micromodel gave a contact angle in excellent agreement

  7. Interfacing with the computational brain.

    Science.gov (United States)

    Jackson, Andrew; Fetz, Eberhard E

    2011-10-01

    Neuroscience is just beginning to understand the neural computations that underlie our remarkable capacity to learn new motor tasks. Studies of natural movements have emphasized the importance of concepts such as dimensionality reduction within hierarchical levels of redundancy, optimization of behavior in the presence of sensorimotor noise and internal models for predictive control. These concepts also provide a framework for understanding the improvements in performance seen in myoelectric-controlled interface and brain-machine interface paradigms. Recent experiments reveal how volitional activity in the motor system combines with sensory feedback to shape neural representations and drives adaptation of behavior. By elucidating these mechanisms, a new generation of intelligent interfaces can be designed to exploit neural plasticity and restore function after neurological injury.

  8. Visualization of the equilibrium position of colloidal particles at fluid-water interfaces by deposition of nanoparticles.

    Science.gov (United States)

    Sabapathy, Manigandan; Kollabattula, Viswas; Basavaraj, Madivala G; Mani, Ethayaraja

    2015-09-07

    We present a general yet simple method to measure the contact angle of colloidal particles at fluid-water interfaces. In this method, the particles are spread at the required fluid-water interface as a monolayer. In the water phase a chemical reaction involving reduction of a metal salt such as aurochloric acid is initiated. The metal grows as a thin film or islands of nanoparticles on the particle surface exposed to the water side of the interface. Analyzing the images of particles by high resolution scanning microscopy (HRSEM), we trace the three phase contact line up to which deposition of the metal film occurs. From geometrical relations, the three phase contact angle is then calculated. We report the measurements of the contact angle of silica and polystyrene (PS) particles at different interfaces such as air-water, decane-water and octanol-water. We have also applied this method to measure the contact angle of surfactant treated polystyrene particles at the air-water interface, and we find a non-monotonic change of the contact angle with the concentration of the surfactant. Our results are compared with the well-known gel trapping technique and we find good comparison with previous measurements.

  9. Étude de la structure chimique et microbiologique de l'interface air-mer en Baie de Guanabara (Rio de Janeiro, Brésil)

    OpenAIRE

    Contador, Luciana

    2006-01-01

    The surface microlayer (SML) covers the upper millimeter of the water. At the air-water interface, the SML is a unique environment, where microorganisms, organic matter, hydrocarbons and pollutants concentrate. The SML is considered an extreme environment due to high concentrations of pollutants and intense solar radiation. The SML and the underlying water (UW) were collected at 7 stations in Guanabara Bay, Brazil. The SML of the bay was characterized by its hydrocarbons, total bacterial coun...

  10. Interferometric velocity measurements through a fluctuating gas-liquid interface employing adaptive optics.

    Science.gov (United States)

    Büttner, Lars; Leithold, Christoph; Czarske, Jürgen

    2013-12-16

    Optical transmission through fluctuating interfaces of mediums with different refractive indexes is limited by the occurring distortions. Temporal fluctuations of such distortions deteriorate optical measurements. In order to overcome this shortcoming we propose the use of adaptive optics. For the first time, an interferometric velocity measurement technique with embedded adaptive optics is presented for flow velocity measurements through a fluctuating air-water interface. A low order distortion correction technique using a fast deformable mirror and a Hartmann-Shack camera with high frame rate is employed. The obtained high control bandwidth enables precise measurements also at fast fluctuating media interfaces. This methodology paves the way for several kinds of optical flow measurements in various complex environments.

  11. Self-assembly and molecular packing in cholesteryl esters at interfaces

    Science.gov (United States)

    Sarkar, Arup; Suresh, K. A.

    2017-06-01

    To understand the self-assembly and molecular packing in cholesteryl esters relevant to biological processes, we have studied them at the air-water and air-solid interfaces. Our phase and thickness studies employing imaging ellipsometry and atomic force microscopy along with surface manometry show that the molecular packing of cholesteryl esters at interfaces can be related to Craven's model of packing, given for bulk. At the air-water interface, following Craven's model, cholesteryl nonanoate and cholesteryl laurate exhibit a fluidic bilayer phase. Interestingly, we find the fluidic bilayer phase of cholesteryl laurate to be unstable and it switches to a crystalline bilayer phase. However, according to Craven, only cholesteryl esters with longer chain lengths starting from cholesteryl tridecanoate should show the crystalline bilayer phase. The thickness behavior of different phases was also studied by transferring the films onto a silicon substrate by using the Langmuir-Blodgett technique. Texture studies show that cholesterol, cholesteryl acetate, cholesteryl nonanoate, cholesteryl laurate, and cholesteryl myristate exhibit homogeneous films with large size domains, whereas cholesteryl palmitate and cholesteryl stearate exhibit less homogeneous films with smaller size domains. We suggest that such an assembly of molecules can be related to their molecular structures. Simulation studies may confirm such a relation.

  12. Micropipette Technique Study of Natural and Synthetic Lung Surfactants at the Air–Water Interface

    DEFF Research Database (Denmark)

    Ortiz, Elisa Parra; Kinoshita, K.; Needham, D.

    2016-01-01

    at microscopic air-water interfaces in real time and upon compression. Here, we characterized a series of animal-derived and synthetic lung surfactant formulations, including native surfactant obtained from porcine lungs (NS); the commercial Curosurf, Infasurf, and Survanta; and a synthetic Super Mini-B (SMB...... from 0.1 to 4%. Nevertheless, a direct correlation between the number of tubes and SMB contents was found, suggesting that SMB molecules are the promoters of tube nucleation in these membranes. A detailed analysis of the tube formation process was performed following previous models for the growth...

  13. Alignment and Sensitive Detection of DNA by a Moving Interface

    Science.gov (United States)

    Bensimon, A.; Simon, A.; Chiffaudel, A.; Croquette, V.; Heslot, F.; Bensimon, D.

    1994-09-01

    In a process called "molecular combing," DNA molecules attached at one end to a solid surface were extended and aligned by a receding air-water interface and left to dry on the surface. Molecular combing was observed to extend the length of the bacteriophage λ DNA molecule to 21.5 ± 0.5 micrometers (unextended length, 16.2 micrometers). With the combing process, it was possible to (i) extend a chromosomal Escherichia coli DNA fragment (10^6 base pairs) and (ii) detect a minute quantity of DNA (10^3 molecules). These results open the way for a faster physical mapping of the genome and for the detection of small quantities of target DNA from a population of molecules.

  14. Dosimetry of interface region near closed air cavities for Co-60, 6 MV and 15 MV photon beams using Monte Carlo simulations

    Directory of Open Access Journals (Sweden)

    Joshi Chandra

    2010-01-01

    Full Text Available Underdosing of treatment targets can occur in radiation therapy due to electronic disequilibrium around air-tissue interfaces when tumors are situated near natural air cavities. These effects have been shown to increase with the beam energy and decrease with the field size. Intensity modulated radiation therapy (IMRT and tomotherapy techniques employ combinations of multiple small radiation beamlets of varying intensities to deliver highly conformal radiation therapy. The use of small beamlets in these techniques may therefore result in underdosing of treatment target in the air-tissue interfaces region surrounding an air cavity. This work was undertaken to investigate dose reductions near the air-water interfaces of 1x1x1 and 3x3x3 cm 3 air cavities, typically encountered in the treatment of head and neck cancer utilizing radiation therapy techniques such as IMRT and tomotherapy using small fields of Co-60, 6 MV and 15 MV photons. Additional investigations were performed for larger photon field sizes encompassing the entire air-cavity, such as encountered in conventional three dimensional conformal radiation therapy (3DCRT techniques. The EGSnrc/DOSXYZnrc Monte Carlo code was used to calculate the dose reductions (in water in air-water interface region for single, parallel opposed and four field irradiations with 2x2 cm 2 (beamlet, 10x2 cm 2 (fan beam, 5x5 and 7x7 cm 2 field sizes. The magnitude of dose reduction in water near air-water interface increases with photon energy; decreases with distance from the interface as well as decreases as the number of beams are increased. No dose reductions were observed for large field sizes encompassing the air cavities. The results demonstrate that Co-60 beams may provide significantly smaller interface dose reductions than 6 MV and 15 MV irradiations for small field irradiations such as used in IMRT and tomotherapy.

  15. Interface Simulation Distances

    Directory of Open Access Journals (Sweden)

    Pavol Černý

    2012-10-01

    Full Text Available The classical (boolean notion of refinement for behavioral interfaces of system components is the alternating refinement preorder. In this paper, we define a distance for interfaces, called interface simulation distance. It makes the alternating refinement preorder quantitative by, intuitively, tolerating errors (while counting them in the alternating simulation game. We show that the interface simulation distance satisfies the triangle inequality, that the distance between two interfaces does not increase under parallel composition with a third interface, and that the distance between two interfaces can be bounded from above and below by distances between abstractions of the two interfaces. We illustrate the framework, and the properties of the distances under composition of interfaces, with two case studies.

  16. Comparison of pulsating DC and DC power air-water plasma jet: A method to decrease plume temperature and increase ROS

    Science.gov (United States)

    Liu, K.; Hu, H.; Lei, J.; Hu, Y.; Zheng, Z.

    2016-12-01

    Most air-water plasma jets are rich in hydroxyl radicals (•OH), but the plasma has higher temperatures, compared to that of pure gas, especially when using air as working gas. In this paper, pulsating direct current (PDC) power was used to excite the air-water plasma jet to reduce plume temperature. In addition to the temperature, other differences between PDC and DC plasma jets are not yet clear. Thus, comparative studies of those plasmas are performed to evaluate characteristics, such as breakdown voltage, temperature, and reactive oxygen species. The results show that the plume temperature of PDC plasma is roughly 5-10 °C lower than that of DC plasma in the same conditions. The •OH content of PDC is lower than that of DC plasma, whereas the O content of PDC plasma is higher. The addition of water leads in an increase in the plume temperature and in the production of •OH with two types of power supplies. The production of O inversely shows a declining tendency with higher water ratio. The most important finding is that the PDC plasma with 100% water ratio achieves lower temperature and more abundant production of •OH and O, compared with DC plasma with 0% water ratio.

  17. After Rigid Interfaces

    DEFF Research Database (Denmark)

    Troiano, Giovanni Maria

    Deformable and shape-changing interfaces are rapidly emerging in the field of human-computer interaction (HCI). Deformable interfaces provide users with newer input possibilities such as bending, squeezing, or stretching, which were impossible to achieve with rigid interfaces. Shape-changing inte......Deformable and shape-changing interfaces are rapidly emerging in the field of human-computer interaction (HCI). Deformable interfaces provide users with newer input possibilities such as bending, squeezing, or stretching, which were impossible to achieve with rigid interfaces. Shape...

  18. More playful user interfaces: an introduction

    NARCIS (Netherlands)

    Unknown, [Unknown; Nijholt, A.; Nijholt, Antinus

    2015-01-01

    In this chapter we embed recent research advances in creating playful user interfaces in a historical context. We have observations on spending leisure time, in particular predictions from previous decades and views expressed in Science Fiction novels. We confront these views and predictions with

  19. More playful user interfaces: an introduction

    NARCIS (Netherlands)

    Nijholt, Anton; Nijholt, Anton

    2015-01-01

    In this chapter we embed recent research advances in creating playful user interfaces in a historical context. We have observations on spending leisure time, in particular predictions from previous decades and views expressed in Science Fiction novels. We confront these views and predictions with wh

  20. Computational design of patterned interfaces using reduced order models

    Science.gov (United States)

    Vattré, A. J.; Abdolrahim, N.; Kolluri, K.; Demkowicz, M. J.

    2014-01-01

    Patterning is a familiar approach for imparting novel functionalities to free surfaces. We extend the patterning paradigm to interfaces between crystalline solids. Many interfaces have non-uniform internal structures comprised of misfit dislocations, which in turn govern interface properties. We develop and validate a computational strategy for designing interfaces with controlled misfit dislocation patterns by tailoring interface crystallography and composition. Our approach relies on a novel method for predicting the internal structure of interfaces: rather than obtaining it from resource-intensive atomistic simulations, we compute it using an efficient reduced order model based on anisotropic elasticity theory. Moreover, our strategy incorporates interface synthesis as a constraint on the design process. As an illustration, we apply our approach to the design of interfaces with rapid, 1-D point defect diffusion. Patterned interfaces may be integrated into the microstructure of composite materials, markedly improving performance. PMID:25169868

  1. After Rigid Interfaces

    DEFF Research Database (Denmark)

    Troiano, Giovanni Maria

    to convey particular information (e.g., big-isurgent, loud-is-up). The second work presents a large-scale analysis of 340 Sci-Fi movies that identifies instances of shape-changing interfaces. Results from the analysis reveals emergent behavioral patterns of shape change, namely Reconfiguration......Deformable and shape-changing interfaces are rapidly emerging in the field of human-computer interaction (HCI). Deformable interfaces provide users with newer input possibilities such as bending, squeezing, or stretching, which were impossible to achieve with rigid interfaces. Shape......-changing interfaces can reconfigure their shape dynamically, providing users with new affordances and output modalities. This thesis contributes to both the field of deformable interfaces and shape-changing interfaces through empirical research. In the area of deformable interfaces, this thesis presents two studies...

  2. Interface localization near criticality

    CERN Document Server

    Delfino, Gesualdo

    2016-01-01

    The theory of interface localization in near-critical planar systems at phase coexistence is formulated from first principles. We show that mutual delocalization of two interfaces, amounting to interfacial wetting, occurs when the bulk correlation length critical exponent $\

  3. Microcomputer interfacing and applications

    CERN Document Server

    Mustafa, M A

    1990-01-01

    This is the applications guide to interfacing microcomputers. It offers practical non-mathematical solutions to interfacing problems in many applications including data acquisition and control. Emphasis is given to the definition of the objectives of the interface, then comparing possible solutions and producing the best interface for every situation. Dr Mustafa A Mustafa is a senior designer of control equipment and has written many technical articles and papers on the subject of computers and their application to control engineering.

  4. Mechanically Enhanced Liquid Interfaces at Human Body Temperature Using Thermosensitive Methylated Nanocrystalline Cellulose.

    Science.gov (United States)

    Scheuble, N; Geue, T; Kuster, S; Adamcik, J; Mezzenga, R; Windhab, E J; Fischer, P

    2016-02-09

    The mechanical performance of materials at oil/water interfaces after consumption is a key factor affecting hydrophobic drug release. In this study, we methylated the surface of nanocrystalline cellulose (NCC) by mercerization and dimethyl sulfate exposure to produce thermosensitive biopolymers. These methylated NCC (metNCC) were used to investigate interfacial thermogelation at air/water and medium-chain triglyceride (MCT)/water interfaces at body temperature. In contrast to bulk fluid dynamics, elastic layers were formed at room temperature, and elasticity increased significantly at body temperature, which was measured by interfacial shear and dilatational rheology in situ. This unique phenomenon depends on solvent quality, temperature, and polymer concentration at interfaces. Thus, by adjusting the degree of hydrophobicity of metNCC, the interfacial elasticity and thermogelation of the interfaces could be varied. In general, these new materials (metNCC) formed more brittle interfacial layers compared to commercial methylcellulose (MC A15). Thermogelation of methylcellulose promotes attractive intermolecular forces, which were reflected in a change in self-assembly of metNCC at the interface. As a consequence, layer thickness and density increased as a function of temperature. These effects were measured by atomic force microscopy (AFM) images of the displaced interface and confirmed by neutron reflection. The substantial structural and mechanical change of methylcellulose interfaces at body temperature represents a controllable encapsulation parameter allowing optimization of lipid-based drug formulations.

  5. Complex Interfaces Under Change

    DEFF Research Database (Denmark)

    Rosbjerg, Dan

    and mechanical processes that develop within this structure. Water-related processes at the interfaces between the compartments are complex, depending both on the interface itself, and on the characteristics of the interfaced compartments. Various aspects of global change directly or indirectly impact...

  6. Water at Interfaces

    DEFF Research Database (Denmark)

    Björneholm, Olle; Hansen, Martin Hangaard; Hodgson, Andrew

    2016-01-01

    The interfaces of neat water and aqueous solutions play a prominent role in many technological processes and in the environment. Examples of aqueous interfaces are ultrathin water films that cover most hydrophilic surfaces under ambient relative humidities, the liquid/solid interface which drives...

  7. Dynamics of swimming bacteria at complex interfaces

    CERN Document Server

    Lopez, Diego

    2014-01-01

    Flagellated bacteria exploiting helical propulsion are known to swim along circular trajectories near surfaces. Fluid dynamics predicts this circular motion to be clockwise (CW) above a rigid surface (when viewed from inside the fluid) and counter-clockwise (CCW) below a free surface. Recent experimental investigations showed that complex physicochemical processes at the nearby surface could lead to a change in the direction of rotation, both at solid surfaces absorbing slip-inducing polymers and interfaces covered with surfactants. Motivated by these results, we use a far-field hydrodynamic model to predict the kinematics of swimming near three types of interfaces: clean fluid-fluid interface, slipping rigid wall, and a fluid interface covered by incompressible surfactants. Representing the helical swimmer by a superposition of hydrodynamic singularities, we first show that in all cases the surfaces reorient the swimmer parallel to the surface and attract it, both of which are a consequence of the Stokes dip...

  8. Lipases at interfaces: unique interfacial properties as globular proteins.

    Science.gov (United States)

    Reis, P; Miller, R; Krägel, J; Leser, M; Fainerman, V B; Watzke, H; Holmberg, K

    2008-06-01

    The adsorption behavior of two globular proteins, lipase from Rhizomucor miehei and beta-lactoglobulin, at inert oil/water and air/water interfaces was studied by the pendant drop technique. The kinetics and adsorption isotherms were interpreted for both proteins in different environments. It was found that the adopted mathematical models well describe the adsorption behavior of the proteins at the studied interfaces. One of the main findings is that unique interfacial properties were observed for lipase as compared to the reference beta-lactoglobulin. A folded drop with a "skinlike" film was formed for the two proteins after aging followed by compression. This behavior is normally associated with protein unfolding and covalent cross-linking at the interface. Despite this, the lipase activity was not suppressed. By highlighting the unique interfacial properties of lipases, we believe that the presented work contributes to a better understanding of lipase interfacial activation and the mechanisms regulating lipolysis. The results indicate that the understanding of the physical properties of lipases can lead to novel approaches to regulate their activity.

  9. Sum-Frequency Generation from Chiral Media and Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Na [Univ. of California, Berkeley, CA (United States)

    2006-02-13

    Sum frequency generation (SFG), a second-order nonlinear optical process, is electric-dipole forbidden in systems with inversion symmetry. As a result, it has been used to study chiral media and interfaces, systems intrinsically lacking inversion symmetry. This thesis describes recent progresses in the applications of and new insights into SFG from chiral media and interfaces. SFG from solutions of chiral amino acids is investigated, and a theoretical model explaining the origin and the strength of the chiral signal in electronic-resonance SFG spectroscopy is discussed. An interference scheme that allows us to distinguish enantiomers by measuring both the magnitude and the phase of the chiral SFG response is described, as well as a chiral SFG microscope producing chirality-sensitive images with sub-micron resolution. Exploiting atomic and molecular parity nonconservation, the SFG process is also used to solve the Ozma problems. Sum frequency vibrational spectroscopy is used to obtain the adsorption behavior of leucine molecules at air-water interfaces. With poly(tetrafluoroethylene) as a model system, we extend the application of this surface-sensitive vibrational spectroscopy to fluorine-containing polymers.

  10. On the inclusion of alkanes into the monolayer of aliphatic alcohols at the water/alkane vapor interface: a quantum chemical approach.

    Science.gov (United States)

    Vysotsky, Yuri B; Fomina, Elena S; Belyaeva, Elena A; Fainerman, Valentin B; Vollhardt, Dieter

    2013-02-14

    In the framework of the quantum chemical semiempirical PM3 method thermodynamic and structural parameters of the formation and clusterization of aliphatic alcohols C(n)H(2n+1)OH (n(OH) = 8-16) at 298 K at the water/alkane vapor C(n)H(2n+2), (n(CH(3)) = 6-16) interface were calculated. The dependencies of enthalpy, entropy and Gibbs' energy of clusterization per one monomer molecule of 2D films on the alkyl chain length of corresponding alcohols and alkanes, the molar fraction of alkanes in the monolayers and the immersion degree of alcohol molecules into the water phase were shown to be linear or stepwise. The threshold of spontaneous clusterization of aliphatic alcohols at the water/alkane vapor interface was 10-11 carbon atoms at 298 K which is in line with experimental data at the air/water interface. It is shown that the presence of alkane vapor does not influence the process of alcohol monolayer formation. The structure of these monolayers is analogous to those obtained at the air/water interface in agreement with experimental data. The inclusion of alkane molecules into the amphiphilic monolayer at the water/alkane vapor interface is possible for amphiphiles with the spontaneous clusterization threshold at the air/water interface (n(s)(0)) of at least 16 methylene units in the alkyl chain, and it does not depend on the molar fraction of alkanes in the corresponding monolayer. The inclusion of alkanes from the vapor phase into the amphiphilic monolayer also requires that the difference between the alkyl chain lengths of alcohols and alkanes is not larger than n(s)(0) - 15 and n(s)(0) - 14 for the 2D film 1 and 2D film 2, respectively.

  11. Spray algorithm without interface construction

    Science.gov (United States)

    Al-Kadhem Majhool, Ahmed Abed; Watkins, A. P.

    2012-05-01

    This research is aimed to create a new and robust family of convective schemes to capture the interface between the dispersed and the carrier phases in a spray without the need to build up the interface boundary. The selection of the Weighted Average Flux (WAF) scheme is due to this scheme being designed to deal with random flux scheme which is second-order accurate in space and time. The convective flux in each cell face utilizes the WAF scheme blended with Switching Technique for Advection and Capturing of Surfaces (STACS) scheme for high resolution flux limiters. In the next step, the high resolution scheme is blended with the WAF scheme to provide the sharpness and boundedness of the interface by using switching strategy. In this work, the Eulerian-Eulerian framework of non-reactive turbulent spray is set in terms of theoretical proposed methodology namely spray moments of drop size distribution, presented by Beck and Watkins [1]. The computational spray model avoids the need to segregate the local droplet number distribution into parcels of identical droplets. The proposed scheme is tested on capturing the spray edges in modelling hollow cone sprays without need to reconstruct two-phase interface. A test is made on simple comparison between TVD scheme and WAF scheme using the same flux limiter on convective flow hollow cone spray. Results show the WAF scheme gives a better prediction than TVD scheme. The only way to check the accuracy of the presented models is by evaluating the spray sheet thickness.

  12. Entanglement and topological interfaces

    CERN Document Server

    Brehm, Enrico M; Jaud, Daniel; Schmidt-Colinet, Cornelius

    2015-01-01

    In this paper we consider entanglement entropies in two-dimensional conformal field theories in the presence of topological interfaces. Tracing over one side of the interface, the leading term of the entropy remains unchanged. The interface however adds a subleading contribution, which can be interpreted as a relative (Kullback-Leibler) entropy with respect to the situation with no defect inserted. Reinterpreting boundaries as topological interfaces of a chiral half of the full theory, we rederive the left/right entanglement entropy in analogy with the interface case. We discuss WZW models and toroidal bosonic theories as examples.

  13. Quantization of interface currents

    Energy Technology Data Exchange (ETDEWEB)

    Kotani, Motoko [AIMR, Tohoku University, Sendai (Japan); Schulz-Baldes, Hermann [Department Mathematik, Universität Erlangen-Nürnberg, Erlangen (Germany); Villegas-Blas, Carlos [Instituto de Matematicas, Cuernavaca, UNAM, Cuernavaca (Mexico)

    2014-12-15

    At the interface of two two-dimensional quantum systems, there may exist interface currents similar to edge currents in quantum Hall systems. It is proved that these interface currents are macroscopically quantized by an integer that is given by the difference of the Chern numbers of the two systems. It is also argued that at the interface between two time-reversal invariant systems with half-integer spin, one of which is trivial and the other non-trivial, there are dissipationless spin-polarized interface currents.

  14. Interfacing with the WEB

    CERN Document Server

    Dönszelmann, M

    1995-01-01

    Interfacing to the Web or programming interfaces for the Web is used to provide dynamic information for Web users. Using the Web as a transport system of information poses three constraints: namespace, statelessness and performance. To build interfaces on either server or client side of the Web one has to meet these constraints. Several examples, currently in use in High Energy Physics Experiments are described. They range from an interface to show where buildings are located to an interface showing active values of the On-line System of the DELPHI (CERN)..

  15. An in-situ Observation on Initial Aggregation Process of Colloidal Particles near Three-Phase Contact Line of Air, Water and Vertical Substrate

    Institute of Scientific and Technical Information of China (English)

    YAO Can; WANG Yu-Ren; LAN Ding; DUAN Li; KANG Qi

    2008-01-01

    The self-assembling process near the three-phase contact line of air, water and vertical substrate is widely used to produce various kinds of nanostructured materials and devices. We perform an in-situ observation on the selfassembling process in the vicinity of the three phase contact line. Three kinds of aggregations, i.e. particle-particle aggregation, particle-chain aggregation and chain-chain aggregation, in the initial stage of vertical deposition process are revealed by our experiments. It is found that the particle-particle aggregation and the particle-chain aggregation can be qualitatively explained by the theory of the capillary immersion force and mirror image force,while the chain-chain aggregation leaves an opening question for the further studies. The present study may provide more deep insight into the self-assembling process of colloidal particles.

  16. The effects of channel diameter on flow pattern, void fraction and pressure drop of two-phase air-water flow in circular micro-channels

    Energy Technology Data Exchange (ETDEWEB)

    Saisorn, Sira [Energy Division, The Joint Graduate School of Energy and Environment (JGSEE), King Mongkut' s University of Technology Thonburi, Bangmod, Bangkok 10140 (Thailand); Wongwises, Somchai [Fluid Mechanics, Thermal Engineering and Multiphase Flow Research Lab. (FUTURE), Department of Mechanical Engineering, King Mongkut' s University of Technology Thonburi, Bangmod, Bangkok 10140 (Thailand)

    2010-05-15

    Two-phase air-water flow characteristics are experimentally investigated in horizontal circular micro-channels. Test sections are made of fused silica. The experiments are conducted based on three different inner diameters of 0.53, 0.22 and 0.15 mm with the corresponding lengths of 320, 120 and 104 mm, respectively. The test runs are done at superficial velocities of gas and liquid ranging between 0.37-42.36 and 0.005-3.04 m/s, respectively. The flow visualisation is facilitated by systems mainly including stereozoom microscope and high-speed camera. The flow regime maps developed from the observed flow patterns are presented. The void fractions are determined based on image analysis. New correlation for two-phase frictional multiplier is also proposed for practical applications. (author)

  17. Thermal transport across metal silicide-silicon interfaces: An experimental comparison between epitaxial and nonepitaxial interfaces

    Science.gov (United States)

    Ye, Ning; Feser, Joseph P.; Sadasivam, Sridhar; Fisher, Timothy S.; Wang, Tianshi; Ni, Chaoying; Janotti, Anderson

    2017-02-01

    Silicides are used extensively in nano- and microdevices due to their low electrical resistivity, low contact resistance to silicon, and their process compatibility. In this work, the thermal interface conductance of TiSi2, CoSi2, NiSi, and PtSi are studied using time-domain thermoreflectance. Exploiting the fact that most silicides formed on Si(111) substrates grow epitaxially, while most silicides on Si(100) do not, we study the effect of epitaxy, and show that for a wide variety of interfaces there is no dependence of interface conductance on the detailed structure of the interface. In particular, there is no difference in the thermal interface conductance between epitaxial and nonepitaxial silicide/silicon interfaces, nor between epitaxial interfaces with different interface orientations. While these silicide-based interfaces yield the highest reported interface conductances of any known interface with silicon, none of the interfaces studied are found to operate close to the phonon radiation limit, indicating that phonon transmission coefficients are nonunity in all cases and yet remain insensitive to interfacial structure. In the case of CoSi2, a comparison is made with detailed computational models using (1) full-dispersion diffuse mismatch modeling (DMM) including the effect of near-interfacial strain, and (2) an atomistic Green' function (AGF) approach that integrates near-interface changes in the interatomic force constants obtained through density functional perturbation theory. Above 100 K, the AGF approach significantly underpredicts interface conductance suggesting that energy transport does not occur purely by coherent transmission of phonons, even for epitaxial interfaces. The full-dispersion DMM closely predicts the experimentally observed interface conductances for CoSi2, NiSi, and TiSi2 interfaces, while it remains an open question whether inelastic scattering, cross-interfacial electron-phonon coupling, or other mechanisms could also account for

  18. Ice growth and interface oscillation of water droplets impinged on a cooling surface

    Science.gov (United States)

    Hagiwara, Yoshimichi; Ishikawa, Shoji; Kimura, Ryota; Toyohara, Kazumasa

    2017-06-01

    We focused on the attenuation of air-water interface oscillation for impinged water droplets freezing on a cooling surface. We carried out not only experiments but also two-dimensional numerical simulation on the droplets using a Phase-field method and an immersed boundary method. The Reynolds number and Weber number were in the range of 35-129 and 1.6-22, respectively. The experimental and computational results showed that the height of the impinged droplets on the symmetrical axis started to oscillate as a result of the impact of the collision of droplets with the surfaces in all the cases that we investigated. The measured frequency of the oscillations in the case of the adiabatic droplets was equal to the frequency estimated from the equation for the capillary-gravity waves on sessile droplets (Temperton, 2013) [30]. The oscillations converged rapidly in all impinged water droplets that froze on the cooling surface. This is due partly to the growth of ice shells along the air-water interface and partly to decreases in water volume as a result of the ice growth mainly on the cooling surface. In addition, the thermal field was disturbed not only by the latent heat transfer but also by the upward component of recirculating flow induced by the droplet impingement.

  19. Contact angle and detachment energy of shape anisotropic particles at fluid-fluid interfaces.

    Science.gov (United States)

    Anjali, Thriveni G; Basavaraj, Madivala G

    2016-09-15

    The three phase contact angle of particles, a measure of its wettability, is an important factor that greatly influences their behaviour at interfaces. It is one of the principal design parameters for potential applications of particles as emulsion/foam stabilizers, functional coatings and other novel materials. In the present work, the effect of size, shape and surface chemistry of particles on their contact angle is investigated using the gel trapping technique, which facilitates the direct visualization of the equilibrium position of particles at interfaces. The contact angle of hematite particles of spherocylindrical, peanut and cuboidal shapes, hematite-silica core-shell and silica shells is reported at a single particle level. The spherocylindrical and peanut shaped particles are always positioned with their major axis parallel to the interface. However, for cuboidal particles at air-water as well as decane-water interfaces, different orientations namely - face-up, edge-up and the vertex-up - are observed. The influence of gravity on the equilibrium position of the colloidal particles at the interface is studied using the hematite-silica core-shell particles and the silica shells. The measured contact angle values are utilized in the calculations of the detachment and surface energies of the hematite particles adsorbed at the interface.

  20. A High-Order Projection Method for Tracking Fluid Interfaces in Variable Density Incompressible Flows

    Science.gov (United States)

    Puckett, Elbridge Gerry; Almgren, Ann S.; Bell, John B.; Marcus, Daniel L.; Rider, William J.

    1997-01-01

    We present a numerical method for computing solutions of the incompressible Euler or Navier-Stokes equations when a principal feature of the flow is the presence of an interface between two fluids with different fluid properties. The method is based on a second-order projection method for variable density flows using an "approximate projection" formulation. The boundary between the fluids is tracked with a second-order, volume-of-fluid interface tracking algorithm. We present results for viscious Rayleigh-Taylor problems at early time with equal and unequal viscosities to demonstrate the convergence of the algorithm. We also present computational results for the Rayleigh-Taylor instability in air-helium and for bubbles and drops in an air-water system without surface tension to demonstrate the behavior of the algorithm on problems with large density and viscosity contrasts.

  1. Topological transformations in proteins: effects of heating and proximity of an interface

    Science.gov (United States)

    Zhao, Yani; Chwastyk, Mateusz; Cieplak, Marek

    2017-01-01

    Using a structure-based coarse-grained model of proteins, we study the mechanism of unfolding of knotted proteins through heating. We find that the dominant mechanisms of unfolding depend on the temperature applied and are generally distinct from those identified for folding at its optimal temperature. In particular, for shallowly knotted proteins, folding usually involves formation of two loops whereas unfolding through high-temperature heating is dominated by untying of single loops. Untying the knots is found to generally precede unfolding unless the protein is deeply knotted and the heating temperature exceeds a threshold value. We then use a phenomenological model of the air-water interface to show that such an interface can untie shallow knots, but it can also make knots in proteins that are natively unknotted.

  2. Refinement by interface instantiation

    DEFF Research Database (Denmark)

    Hallerstede, Stefan; Hoang, Thai Son

    2012-01-01

    be easily refined. Our first contribution hence is a proposal for a new construct called interface that encapsulates the external variables, along with a mechanism for interface instantiation. Using the new construct and mechanism, external variables can be refined consistently. Our second contribution...... is an approach for verifying the correctness of Event-B extensions using the supporting Rodin tool. We illustrate our approach by proving the correctness of interface instantiation....

  3. Popeye Project: ROV interface

    Energy Technology Data Exchange (ETDEWEB)

    Scates, C.R.; Hernandez, D.A.; Hickok, D.D.

    1996-12-31

    This paper discusses the Remote Operated Vehicle (ROV) interface with the Popeye Project Subsea System. It describes the ROV-related plans, design philosophies, intervention tasks, tooling/equipment requirements, testing activities, and offshore installation experiences. Early identification and continuous consideration of the ROV interfaces significantly improved the overall efficiency of equipment designs and offshore operations. The Popeye Project helped advance the technology and standardization of ROV interfaces for deep water subsea production systems.

  4. Turbomachine Interface Sealing

    Science.gov (United States)

    Hendricks, Robert C.; Chupp, Raymond E.; Lattime, Scott B.; Steinetz, Bruce M.

    2005-01-01

    Sealing interfaces and coatings, like lubricants, are sacrificial, giving up their integrity for the benefit of the component. Clearance control is a major issue in power systems turbomachine design and operational life. Sealing becomes the most cost-effective way to enhance system performance. Coatings, films, and combined use of both metals and ceramics play a major role in maintaining interface clearances in turbomachine sealing and component life. This paper focuses on conventional and innovative materials and design practices for sealing interfaces.

  5. Universal computer interfaces

    CERN Document Server

    Dheere, RFBM

    1988-01-01

    Presents a survey of the latest developments in the field of the universal computer interface, resulting from a study of the world patent literature. Illustrating the state of the art today, the book ranges from basic interface structure, through parameters and common characteristics, to the most important industrial bus realizations. Recent technical enhancements are also included, with special emphasis devoted to the universal interface adapter circuit. Comprehensively indexed.

  6. Electromagnetic Interface Testing Facility

    Data.gov (United States)

    Federal Laboratory Consortium — The Electromagnetic Interface Testing facilitysupports such testing asEmissions, Field Strength, Mode Stirring, EMP Pulser, 4 Probe Monitoring/Leveling System, and...

  7. Shape-changing interfaces:

    DEFF Research Database (Denmark)

    Rasmussen, Majken Kirkegård; Pedersen, Esben Warming; Petersen, Marianne Graves;

    2015-01-01

    these shortcomings. We identify eight types of shape that are transformed in various ways to serve both functional and hedonic design purposes. Interaction with shape-changing interfaces is simple and rarely merges input and output. Three questions are discussed based on the review: (a) which design purposes may......Shape change is increasingly used in physical user interfaces, both as input and output. Yet, the progress made and the key research questions for shape-changing interfaces are rarely analyzed systematically. We review a sample of existing work on shape-changing interfaces to address...

  8. Shape-changing interfaces:

    DEFF Research Database (Denmark)

    Rasmussen, Majken Kirkegård; Pedersen, Esben Warming; Petersen, Marianne Graves

    2015-01-01

    Shape change is increasingly used in physical user interfaces, both as input and output. Yet, the progress made and the key research questions for shape-changing interfaces are rarely analyzed systematically. We review a sample of existing work on shape-changing interfaces to address these shortc...... shape-changing interfaces be used for, (b) which parts of the design space are not well understood, and (c) why studying user experience with shape-changing interfaces is important.......Shape change is increasingly used in physical user interfaces, both as input and output. Yet, the progress made and the key research questions for shape-changing interfaces are rarely analyzed systematically. We review a sample of existing work on shape-changing interfaces to address...... these shortcomings. We identify eight types of shape that are transformed in various ways to serve both functional and hedonic design purposes. Interaction with shape-changing interfaces is simple and rarely merges input and output. Three questions are discussed based on the review: (a) which design purposes may...

  9. Interfaces Between Second Interfaces Between Second

    Directory of Open Access Journals (Sweden)

    Celso Henrique Soufen Tumolo

    2008-04-01

    Full Text Available The book Interfaces Between Second Language Acquisition and Language Testing Research was edited with the concern of bringing together various researchers who have tried to overcome the separation of the two areas, SLA and LT, by raising and discussing relevant issues related to both. The book Interfaces Between Second Language Acquisition and Language Testing Research was edited with the concern of bringing together various researchers who have tried to overcome the separation of the two areas, SLA and LT, by raising and discussing relevant issues related to both.

  10. A hierarchical model of daily stream temperature using air-water temperature synchronization, autocorrelation, and time lags

    Science.gov (United States)

    Letcher, Benjamin; Hocking, Daniel; O'Neill, K.; Whiteley, Andrew R.; Nislow, Keith H.; O'Donnell, Matthew

    2016-01-01

    Water temperature is a primary driver of stream ecosystems and commonly forms the basis of stream classifications. Robust models of stream temperature are critical as the climate changes, but estimating daily stream temperature poses several important challenges. We developed a statistical model that accounts for many challenges that can make stream temperature estimation difficult. Our model identifies the yearly period when air and water temperature are synchronized, accommodates hysteresis, incorporates time lags, deals with missing data and autocorrelation and can include external drivers. In a small stream network, the model performed well (RMSE = 0.59 °C), identified a clear warming trend (0.63 °C · decade-1) and a widening of the synchronized period (29 d · decade-1). We also carefully evaluated how missing data influenced predictions. Missing data within a year had a small effect on performance (~ 0.05% average drop in RMSE with 10% fewer days with data). Missing all data for a year decreased performance (~ 0.6 °C jump in RMSE), but this decrease was moderated when data were available from other streams in the network.

  11. A hierarchical model of daily stream temperature using air-water temperature synchronization, autocorrelation, and time lags.

    Science.gov (United States)

    Letcher, Benjamin H; Hocking, Daniel J; O'Neil, Kyle; Whiteley, Andrew R; Nislow, Keith H; O'Donnell, Matthew J

    2016-01-01

    Water temperature is a primary driver of stream ecosystems and commonly forms the basis of stream classifications. Robust models of stream temperature are critical as the climate changes, but estimating daily stream temperature poses several important challenges. We developed a statistical model that accounts for many challenges that can make stream temperature estimation difficult. Our model identifies the yearly period when air and water temperature are synchronized, accommodates hysteresis, incorporates time lags, deals with missing data and autocorrelation and can include external drivers. In a small stream network, the model performed well (RMSE = 0.59°C), identified a clear warming trend (0.63 °C decade(-1)) and a widening of the synchronized period (29 d decade(-1)). We also carefully evaluated how missing data influenced predictions. Missing data within a year had a small effect on performance (∼0.05% average drop in RMSE with 10% fewer days with data). Missing all data for a year decreased performance (∼0.6 °C jump in RMSE), but this decrease was moderated when data were available from other streams in the network.

  12. A hierarchical model of daily stream temperature using air-water temperature synchronization, autocorrelation, and time lags

    Directory of Open Access Journals (Sweden)

    Benjamin H. Letcher

    2016-02-01

    Full Text Available Water temperature is a primary driver of stream ecosystems and commonly forms the basis of stream classifications. Robust models of stream temperature are critical as the climate changes, but estimating daily stream temperature poses several important challenges. We developed a statistical model that accounts for many challenges that can make stream temperature estimation difficult. Our model identifies the yearly period when air and water temperature are synchronized, accommodates hysteresis, incorporates time lags, deals with missing data and autocorrelation and can include external drivers. In a small stream network, the model performed well (RMSE = 0.59°C, identified a clear warming trend (0.63 °C decade−1 and a widening of the synchronized period (29 d decade−1. We also carefully evaluated how missing data influenced predictions. Missing data within a year had a small effect on performance (∼0.05% average drop in RMSE with 10% fewer days with data. Missing all data for a year decreased performance (∼0.6 °C jump in RMSE, but this decrease was moderated when data were available from other streams in the network.

  13. Interface or Interlace?

    DEFF Research Database (Denmark)

    Hansen, Lone Koefoed; Wamberg, Jacob

    2005-01-01

    Departing from an analysis of the computer's indeterminate location between medium and machine, this paper problematises the idea of a clear-cut interface in complex computing, especially Augmented Reality. The idea and pratice of the interface is derived from the medium as a representational...

  14. Verden som interface

    DEFF Research Database (Denmark)

    2007-01-01

    Oversættelse af Peter Weibels tekst "The World as Interface" i Passepartout # 27. Interfacekulturens æstetik. Udgivelsesdato: 28.04.07......Oversættelse af Peter Weibels tekst "The World as Interface" i Passepartout # 27. Interfacekulturens æstetik. Udgivelsesdato: 28.04.07...

  15. Interfaces in nanoscale photovoltaics

    NARCIS (Netherlands)

    Öner, S.Z.

    2016-01-01

    This thesis deals with material interfaces in nanoscale photovoltaics. Interface properties between the absorbing semiconductor and other employed materials are crucial for an efficient solar cell. While the optical properties are largely unaffected by a few nanometer thin layer, the electronic prop

  16. Interfaces in nanoscale photovoltaics

    NARCIS (Netherlands)

    Öner, S.Z.

    2016-01-01

    This thesis deals with material interfaces in nanoscale photovoltaics. Interface properties between the absorbing semiconductor and other employed materials are crucial for an efficient solar cell. While the optical properties are largely unaffected by a few nanometer thin layer, the electronic prop

  17. The User Interface.

    Science.gov (United States)

    Lindeman, Martha J.; And Others

    1989-01-01

    The first of three articles on the design of user interfaces for information retrieval systems discusses the need to examine types of display, prompting, and input as separate entities. The second examines the use of artificial intelligence in creating natural language interfaces, and the third outlines standards for case studies in human computer…

  18. Designing the Instructional Interface.

    Science.gov (United States)

    Lohr, L. L.

    2000-01-01

    Designing the instructional interface is a challenging endeavor requiring knowledge and skills in instructional and visual design, psychology, human-factors, ergonomic research, computer science, and editorial design. This paper describes the instructional interface, the challenges of its development, and an instructional systems approach to its…

  19. Air-water exchange of anthropogenic and natural organohalogens on International Polar Year (IPY) expeditions in the Canadian Arctic.

    Science.gov (United States)

    Wong, Fiona; Jantunen, Liisa M; Pućko, Monika; Papakyriakou, Tim; Staebler, Ralf M; Stern, Gary A; Bidleman, Terry F

    2011-02-01

    Shipboard measurements of organohalogen compounds in air and surface seawater were conducted in the Canadian Arctic in 2007-2008. Study areas included the Labrador Sea, Hudson Bay, and the southern Beaufort Sea. High volume air samples were collected at deck level (6 m), while low volume samples were taken at 1 and 15 m above the water or ice surface. Water samples were taken within 7 m. Water concentration ranges (pg L(-1)) were as follows: α-hexachlorocyclohexane (α-HCH) 465-1013, γ-HCH 150-254, hexachlorobenzene (HCB) 4.0-6.4, 2,4-dibromoanisole (DBA) 8.5-38, and 2,4,6-tribromoanisole (TBA) 4.7-163. Air concentration ranges (pg m(-3)) were as follows: α-HCH 7.5-48, γ-HCH 2.1-7.7, HCB 48-71, DBA 4.8-25, and TBA 6.4 - 39. Fugacity gradients predicted net deposition of HCB in all areas, while exchange directions varied for the other chemicals by season and locations. Net evasion of α-HCH from Hudson Bay and the Beaufort Sea during open water conditions was shown by air concentrations that averaged 14% higher at 1 m than 15 m. No significant difference between the two heights was found over ice cover. The α-HCH in air over the Beaufort Sea was racemic in winter (mean enantiomer fraction, EF = 0.504 ± 0.008) and nonracemic in late spring-early summer (mean EF = 0.476 ± 0.010). This decrease in EF was accompanied by a rise in air concentrations due to volatilization of nonracemic α-HCH from surface water (EF = 0.457 ± 0.019). Fluxes of chemicals during the southern Beaufort Sea open water season (i.e., Leg 9) were estimated using the Whitman two-film model, where volatilization fluxes are positive and deposition fluxes are negative. The means ± SD (and ranges) of net fluxes (ng m(-2) d(-1)) were as follows: α-HCH 6.8 ± 3.2 (2.7-13), γ-HCH 0.76 ± 0.40 (0.26-1.4), HCB -9.6 ± 2.7 (-6.1 to -15), DBA 1.2 ± 0.69 (0.04-2.0), and TBA 0.46 ± 1.1 ng m(-2) d(-1) (-1.6 to 2.0).

  20. Interface physics in microporous media : LDRD final report.

    Energy Technology Data Exchange (ETDEWEB)

    Yaklin, Melissa A.; Knutson, Chad E.; Noble, David R.; Aragon, Alicia R.; Chen, Ken Shuang; Giordano, Nicholas J. (Purdue University, West Lafayette, IN); Brooks, Carlton, F.; Pyrak-Nolte, Laura J. (Purdue University, West Lafayette, IN); Liu, Yihong (Purdue University, West Lafayette, IN)

    2008-09-01

    This document contains a summary of the work performed under the LDRD project entitled 'Interface Physics in Microporous Media'. The presence of fluid-fluid interfaces, which can carry non-zero stresses, distinguishes multiphase flows from more readily understood single-phase flows. In this work the physics active at these interfaces has been examined via a combined experimental and computational approach. One of the major difficulties of examining true microporous systems of the type found in filters, membranes, geologic media, etc. is the geometric uncertainty. To help facilitate the examination of transport at the pore-scale without this complication, a significant effort has been made in the area of fabrication of both two-dimensional and three-dimensional micromodels. Using these micromodels, multiphase flow experiments have been performed for liquid-liquid and liquid-gas systems. Laser scanning confocal microscopy has been utilized to provide high resolution, three-dimensional reconstructions as well as time resolved, two-dimensional reconstructions. Computational work has focused on extending lattice Boltzmann (LB) and finite element methods for probing the interface physics at the pore scale. A new LB technique has been developed that provides over 100x speed up for steady flows in complex geometries. A new LB model has been developed that allows for arbitrary density ratios, which has been a significant obstacle in applying LB to air-water flows. A new reduced order model has been developed and implemented in finite element code for examining non-equilibrium wetting in microchannel systems. These advances will enhance Sandia's ability to quantitatively probe the rich interfacial physics present in microporous systems.

  1. Entanglement and topological interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Brehm, E.; Brunner, I.; Jaud, D.; Schmidt-Colinet, C. [Arnold Sommerfeld Center, Ludwig-Maximilians-Universitaet, Theresienstrasse 37, 80333, Muenchen (Germany)

    2016-06-15

    In this paper we consider entanglement entropies in two-dimensional conformal field theories in the presence of topological interfaces. Tracing over one side of the interface, the leading term of the entropy remains unchanged. The interface however adds a subleading contribution, which can be interpreted as a relative (Kullback-Leibler) entropy with respect to the situation with no defect inserted. Reinterpreting boundaries as topological interfaces of a chiral half of the full theory, we rederive the left/right entanglement entropy in analogy with the interface case. We discuss WZW models and toroidal bosonic theories as examples. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. User Interface History

    DEFF Research Database (Denmark)

    Jørgensen, Anker Helms; Myers, Brad A

    2008-01-01

    User Interfaces have been around as long as computers have existed, even well before the field of Human-Computer Interaction was established. Over the years, some papers on the history of Human-Computer Interaction and User Interfaces have appeared, primarily focusing on the graphical interface era...... and early visionaries such as Bush, Engelbart and Kay. With the User Interface being a decisive factor in the proliferation of computers in society and since it has become a cultural phenomenon, it is time to paint a more comprehensive picture of its history. This SIG will investigate the possibilities...... of  launching a concerted effort towards creating a History of User Interfaces. ...

  3. High intensity ultrasound modified ovalbumin: Structure, interface and gelation properties.

    Science.gov (United States)

    Xiong, Wenfei; Wang, Yuntao; Zhang, Chunlan; Wan, Jiawei; Shah, Bakht Ramin; Pei, Yaqiong; Zhou, Bin; Li, Jin; Li, Bin

    2016-07-01

    Influence of high intensity ultrasound (HIUS) on the structure and properties of ovalbumin (OVA) were investigated. It was found that the subunits and secondary structure of OVA did not change significantly with HIUS treatment from the electrophoretic patterns and circular dichroism (CD) spectrum. The amount of free sulfhydryl groups increased and intrinsic fluorescence spectra analysis indicated changes in the tertiary structure and partial unfold of OVA after sonication increased. Compared with the untreated OVA, HIUS treatment increased the emulsifying activity and foaming ability, and decreased interface tension (oil-water and air-water interface), which due to the increased surface hydrophobicity and decreased the surface net charge in OVA, while the emulsifying and foaming stability had no remarkable differences. The increased particle size may be attributed to formation of protein aggregates. Moreover, the gelation temperatures of HIUS-treated samples were higher than the untreated OVA according to the temperature sweep model rheology, and this effect was consistent with the increased in surface hydrophobicity for ultrasound treated OVA. These changes in functional properties of OVA would promote its application in food industry. Copyright © 2016 Elsevier B.V. All rights reserved.

  4. Effect of interaction heterogeneity on colloidal arrangements at a curved oil-water interface.

    Science.gov (United States)

    Lee, Mina; Lee, Daeyeon; Park, Bum Jun

    2015-01-14

    We report the unique arrangement behaviour of colloidal particles at a curved oil-water interface. Particles trapped at a centrosymmetrically curved oil-water interface, formed by placing an oil lens at a neat air-water interface, organize into diverse arrangement structures due to electrostatic repulsion under the gravitational field. To reveal a possible mechanism behind the observed diversity, we investigate the interactions between pairs of particles at the curved oil-water interface. The magnitude of electrostatic repulsive interactions between pairs of particles is determined by minimizing the total potential of the particle pairs. We show that the pair interactions are quite heterogeneous, following a Gamma distribution. Using the experimentally determined pair potential and the heterogeneity in the potential as input parameters for Monte Carlo simulations, we show that such interaction heterogeneity affects the particle arrangements at the curved interface and results in an observed diversity in the particle arrangement structures. We believe that this work prompts further experimental and simulation studies to extensively understand hierarchical relations from small scale measurements (e.g., pair interactions and heterogeneity) to bulk scale properties (e.g., microstructure and interfacial rheology).

  5. Time-resolved fast-neutron radiography of air-water two-phase flows in a rectangular channel by an improved detection system

    CERN Document Server

    Zboray, Robert; Mor, Ilan; Bromberger, Benjamin; Tittelmeier, Kai

    2015-01-01

    In a previous work we have demonstrated the feasibility of high-frame-rate, fast-neutron radiography of generic air-water two-phase flows in a 1.5 cm thick, rectangular flow channel. The experiments have been carried out at the high-intensity, white-beam facility of the Physikalisch-Technische Bundesanstalt, Germany, using an multi-frame, time-resolved detector developed for fast neutron resonance radiography. The results were however not fully optimal and therefore we have decided to modify the detector and optimize it for the given application, which is described in the present work. Furthermore, we managed to improve the image post-processing methodology and the noise suppression. Using the tailored detector and the improved post-processing significant increase in the image quality and an order of magnitude lower exposure times, down to 3.33 ms, have been achieved with minimized motion artifacts. Similar to the previous study, different two-phase flow regimes such as bubbly slug and churn flows have been e...

  6. Noise abatement in air-water heat pump systems. Basic considerations, guidelines for practice; Laermreduktion bei Luft/Wasser-Waermepumpenanlagen. Grundlagen und Massnahmen

    Energy Technology Data Exchange (ETDEWEB)

    Graf, H.R.

    2002-07-01

    With increasing numbers of installations of air/water heat pumps the issue of noise emissions is becoming more of a concern. In reaction to this situation, the company Sulzer Innotec has developed these guidelines by order of the Swiss Federal Office of Energy. Typically, more than 90% of the noise emitted outdoors is produced by the fan. Due to the strong tonal components, the noise emitted is substantially more annoying than a reference broadband noise of the same intensity. For further noise reduction mainly the fan noise must be addressed. Despite the dominance of fan noise, other noise sources must not be neglected. The most promising countermeasures are: Reduction of fan noise by (i) low blade tip speed (prerequisite is a pressure drop in the air channels including the evaporator as low as possible), (ii) improvement of flow geometry in the vicinity of the fan, (iii) insulation of air ducts with acoustic foam (thickness 50 mm or more), (iv) elbows in the air duct line for sound dissipation. Reduction of compressor noise by (i) a highly effective acoustic enclosure, (ii) vibration insulation of structure-borne noise by elastic mounts, (iii) decoupling of refrigerant pipes. (author)

  7. A Novel Satellite Mission Concept for Upper Air Water Vapour, Aerosol and Cloud Observations Using Integrated Path Differential Absorption LiDAR Limb Sounding

    Directory of Open Access Journals (Sweden)

    Claudia Weitnauer

    2012-03-01

    Full Text Available We propose a new satellite mission to deliver high quality measurements of upper air water vapour. The concept centres around a LiDAR in limb sounding by occultation geometry, designed to operate as a very long path system for differential absorption measurements. We present a preliminary performance analysis with a system sized to send 75 mJ pulses at 25 Hz at four wavelengths close to 935 nm, to up to 5 microsatellites in a counter-rotating orbit, carrying retroreflectors characterized by a reflected beam divergence of roughly twice the emitted laser beam divergence of 15 µrad. This provides water vapour profiles with a vertical sampling of 110 m; preliminary calculations suggest that the system could detect concentrations of less than 5 ppm. A secondary payload of a fairly conventional medium resolution multispectral radiometer allows wide-swath cloud and aerosol imaging. The total weight and power of the system are estimated at 3 tons and 2,700 W respectively. This novel concept presents significant challenges, including the performance of the lasers in space, the tracking between the main spacecraft and the retroreflectors, the refractive effects of turbulence, and the design of the telescopes to achieve a high signal-to-noise ratio for the high precision measurements. The mission concept was conceived at the Alpbach Summer School 2010.

  8. Implications of surfactant-induced flow for miscible-displacement estimation of air-water interfacial areas in unsaturated porous media.

    Science.gov (United States)

    Costanza-Robinson, Molly S; Zheng, Zheng; Henry, Eric J; Estabrook, Benjamin D; Littlefield, Malcolm H

    2012-10-16

    Surfactant miscible-displacement experiments represent a conventional means of estimating air-water interfacial area (A(I)) in unsaturated porous media. However, changes in surface tension during the experiment can potentially induce unsaturated flow, thereby altering interfacial areas and violating several fundamental method assumptions, including that of steady-state flow. In this work, the magnitude of surfactant-induced flow was quantified by monitoring moisture content and perturbations to effluent flow rate during miscible-displacement experiments conducted using a range of surfactant concentrations. For systems initially at 83% moisture saturation (S(W)), decreases of 18-43% S(W) occurred following surfactant introduction, with the magnitude and rate of drainage inversely related to the surface tension of the surfactant solution. Drainage induced by 0.1 mM sodium dodecyl benzene sulfonate, commonly used for A(I) estimation, resulted in effluent flow rate increases of up to 27% above steady-state conditions and is estimated to more than double the interfacial area over the course of the experiment. Depending on the surfactant concentration and the moisture content used to describe the system, A(I) estimates varied more than 3-fold. The magnitude of surfactant-induced flow is considerably larger than previously recognized and casts doubt on the reliability of A(I) estimation by surfactant miscible-displacement.

  9. Flow pattern, void fraction and pressure drop of two-phase air-water flow in a horizontal circular micro-channel

    Energy Technology Data Exchange (ETDEWEB)

    Saisorn, Sira [Energy Division, The Joint Graduate School of Energy and Environment (JGSEE), King Mongkut' s University of Technology Thonburi, Bangmod, Bangkok 10140 (Thailand); Wongwises, Somchai [Fluid Mechanics, Thermal Engineering and Multiphase Flow Research Laboratory (FUTURE), Department of Mechanical Engineering, King Mongkut' s University of Technology Thonburi, Bangmod, Bangkok 10140 (Thailand)

    2008-01-15

    Adiabatic two-phase air-water flow characteristics, including the two-phase flow pattern as well as the void fraction and two-phase frictional pressure drop, in a circular micro-channel are experimentally studied. A fused silica channel, 320 mm long, with an inside diameter of 0.53 mm is used as the test section. The test runs are done at superficial velocity of gas and liquid ranging between 0.37-16 and 0.005-3.04 m/s, respectively. The flow pattern map is developed from the observed flow patterns i.e. slug flow, throat-annular flow, churn flow and annular-rivulet flow. The flow pattern map is compared with those of other researchers obtained from different working fluids. The present single-phase experiments also show that there are no significant differences in the data from the use of air or nitrogen gas, and water or de-ionized water. The void fraction data obtained by image analysis tends to correspond with the homogeneous flow model. The two-phase pressure drops are also used to calculate the frictional multiplier. The multiplier data show a dependence on flow pattern as well as mass flux. A new correlation of two-phase frictional multiplier is also proposed for practical application. (author)

  10. Dielectric interfaces in DC constructions: space charge and polarization phenomena

    NARCIS (Netherlands)

    Morshuis, P.H.F.; Bodega, R.; Fabiani, D.; Montanari, G.C.; Dissado, L.A; Smit, J.J.

    2007-01-01

    Interfaces between dielectrics are considered one of the weakest parts of an insulation system but their behavior under electrical stress is not yet completely understood. In particular, when a dc voltage is applied, the electric field distribution at the interface is quite difficult to predict. Thi

  11. The interface effect

    CERN Document Server

    Galloway, Alexander R

    2013-01-01

    Interfaces are back, or perhaps they never left. The familiar Socratic conceit from the Phaedrus, of communication as the process of writing directly on the soul of the other, has returned to center stage in today's discussions of culture and media. Indeed Western thought has long construed media as a grand choice between two kinds of interfaces. Following the optimistic path, media seamlessly interface self and other in a transparent and immediate connection. But, following the pessimistic path, media are the obstacles to direct communion, disintegrating self and other into misunderstanding

  12. Operator interface for vehicles

    Science.gov (United States)

    Bissontz, Jay E

    2015-03-10

    A control interface for drivetrain braking provided by a regenerative brake and a non-regenerative brake is implemented using a combination of switches and graphic interface elements. The control interface comprises a control system for allocating drivetrain braking effort between the regenerative brake and the non-regenerative brake, a first operator actuated control for enabling operation of the drivetrain braking, and a second operator actuated control for selecting a target braking effort for drivetrain braking. A graphic display displays to an operator the selected target braking effort and can be used to further display actual braking effort achieved by drivetrain braking.

  13. The Java Legacy Interface

    DEFF Research Database (Denmark)

    Korsholm, Stephan

    2007-01-01

    The Java Legacy Interface is designed to use Java for encapsulating native legacy code on small embedded platforms. We discuss why existing technologies for encapsulating legacy code (JNI) is not sufficient for an important range of small embedded platforms, and we show how the Java Legacy...... Interface offers this previously missing functionality. We describe an implementation of the Java Legacy Interface for a particular virtual machine, and how we have used this virtual machine to integrate Java with an existing, commercial, soft real-time, C/C++ legacy platform....

  14. The Java Legacy Interface

    DEFF Research Database (Denmark)

    Korsholm, Stephan

    2007-01-01

    The Java Legacy Interface is designed to use Java for encapsulating native legacy code on small embedded platforms. We discuss why existing technologies for encapsulating legacy code (JNI) is not sufficient for an important range of small embedded platforms, and we show how the Java Legacy...... Interface offers this previously missing functionality. We describe an implementation of the Java Legacy Interface for a particular virtual machine, and how we have used this virtual machine to integrate Java with an existing, commercial, soft real-time, C/C++ legacy platform....

  15. The computer graphics interface

    CERN Document Server

    Steinbrugge Chauveau, Karla; Niles Reed, Theodore; Shepherd, B

    2014-01-01

    The Computer Graphics Interface provides a concise discussion of computer graphics interface (CGI) standards. The title is comprised of seven chapters that cover the concepts of the CGI standard. Figures and examples are also included. The first chapter provides a general overview of CGI; this chapter covers graphics standards, functional specifications, and syntactic interfaces. Next, the book discusses the basic concepts of CGI, such as inquiry, profiles, and registration. The third chapter covers the CGI concepts and functions, while the fourth chapter deals with the concept of graphic obje

  16. Interface Anywhere Project

    Data.gov (United States)

    National Aeronautics and Space Administration — To illustrate the viability of this technology, a prototype Natural User Interface (NUI) was developed as a proof-of-concept for system control.  Gesture and...

  17. Space as interface

    DEFF Research Database (Denmark)

    Lykke-Olesen, Andreas

    2006-01-01

    of interactive systems through the Ph.D. project, I have identified different significant aspects in the relation between space and interface. Based on empirical work, I distill a fragment of work concerned with cameras as the interface for bridging the gap between physical and digital space. By looking across...... multiple projects spanning over fields such as tangible user interfaces, augmented reality, and mobile computing, a conceptual framework characterizing camera-based mixed interaction spaces is developed. To show the applicability of the framework, it is deployed on one of the presented cases and discussed...... to conceptualize space as more than the physical container for human activity. I do this by investigating space as interface. Based on a theory of space and place set forth by Tuan (Tuan, 1977), and informed by an explorative research approach, I make the distinction between space and place as a Euclidian space...

  18. Interface-Based Design

    Science.gov (United States)

    2004-01-01

    Lecture Notes in Computer Science 1466, pages 163–178. Springer-Verlag, 1998. A. Chakrabarti, L. de Alfaro, T.A...Henzinger, M. Jurdziński, and F.Y.C. Mang. Interface compatibility checking for software modules. In Proc. Computer-Aided Verification, Lecture Notes in Computer Science 2404...bidirectional component interfaces. In Proc. Computer-Aided Verification, Lecture Notes in Computer Science 2404, pages 414–427.

  19. Interfaces: nanometric dielectrics

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, T J [School of Informatics, University of Wales Bangor, Dean Street, Bangor, Gwynedd, LL70 9PX (United Kingdom)

    2005-01-21

    The incorporation of nanometric size particles in a matrix to form dielectric composites shows promise of materials (nanodielectrics) with new and improved properties. It is argued that the properties of the interfaces between the particles and the matrix, which will themselves be of nanometric dimensions, will have an increasingly dominant role in determining dielectric performance as the particle size decreases. The forces that determine the electrical and dielectric properties of interfaces are considered, with emphasis on the way in which they might influence composite behaviour. A number of examples are given in which interfaces at the nanometric level exercise both passive and active control over dielectric, optical and conductive properties. Electromechanical properties are also considered, and it is shown that interfaces have important electrostrictive and piezoelectric characteristics. It is demonstrated that the process of poling, namely subjecting macroscopic composite materials to electrical stress and raised temperatures to create piezoelectric materials, can be explained in terms of optimizing the collective response of the nanometric interfaces involved. If the electrical and electromechanical features are coupled to the long-established electrochemical properties, interfaces represent highly versatile active elements with considerable potential in nanotechnology.

  20. Interfaces: nanometric dielectrics

    Science.gov (United States)

    Lewis, T. J.

    2005-01-01

    The incorporation of nanometric size particles in a matrix to form dielectric composites shows promise of materials (nanodielectrics) with new and improved properties. It is argued that the properties of the interfaces between the particles and the matrix, which will themselves be of nanometric dimensions, will have an increasingly dominant role in determining dielectric performance as the particle size decreases. The forces that determine the electrical and dielectric properties of interfaces are considered, with emphasis on the way in which they might influence composite behaviour. A number of examples are given in which interfaces at the nanometric level exercise both passive and active control over dielectric, optical and conductive properties. Electromechanical properties are also considered, and it is shown that interfaces have important electrostrictive and piezoelectric characteristics. It is demonstrated that the process of poling, namely subjecting macroscopic composite materials to electrical stress and raised temperatures to create piezoelectric materials, can be explained in terms of optimizing the collective response of the nanometric interfaces involved. If the electrical and electromechanical features are coupled to the long-established electrochemical properties, interfaces represent highly versatile active elements with considerable potential in nanotechnology.