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Sample records for electrostatic charging tendency

  1. Space-charge electrostatic precipitation

    Energy Technology Data Exchange (ETDEWEB)

    Middleton, C.E.

    1977-05-01

    An improved electrostatic precipitator called a space charge precipitator was tested and studied. A space charge precipitator differs from a conventional model in that the fields necessary to move the particles from the gas to the collecting surfaces are provided by a cloud of charged innocuous drops, such as glycerine or water, rather than by a charged electrode system. The flow conditions, electrical equipment, and physical dimensions of the test precipitator are typical of industrial applications. Experiments using water fog at a velocity of 10 ft/sec and a residence time of 0.6 sec, for a system charged at 25 kV, show a removal of iron oxide particles of approximately 52 percent. Theoretical calculations, assuming 2 micron particles, predict a removal of 50 percent. The results with glycerine fog are comparable. Experiments at various flowrates for both water fog and glycerine fog show a trend of decreasing particle removal for increasing flowrate. An identical trend is predicted by the space charge theory. Electron micrographs verify that only particles smaller than two microns are present in the laboratory precipitator.

  2. Electrostatics with Computer-Interfaced Charge Sensors

    Science.gov (United States)

    Morse, Robert A.

    2006-01-01

    Computer interfaced electrostatic charge sensors allow both qualitative and quantitative measurements of electrostatic charge but are quite sensitive to charges accumulating on modern synthetic materials. They need to be used with care so that students can correctly interpret their measurements. This paper describes the operation of the sensors,…

  3. Electrostatic disruption of a charged conducting spheroid

    Science.gov (United States)

    Hill, J. R.; Mendis, D. A.

    1981-01-01

    Electrostatic disruption of elongated parent grains following sudden charging to high electrostatic potentials is proposed as a specific mechanism for the appearance of striae or pseudosynchronic bands which have been observed in several comets. The polar and equatorial electrostatic tension for axis ratios between 0.01 and 1000 are calculated, and the polar pressure is found to be larger than the equatorial pressure for prolate spheroids. The electrostatic polar pressure profile along the polar axis for prolate spheroids is calculated, and the pressure is found to increase monotonically from a minimum at the center to a maxima at the ends. This indicates that as a prolate spheroid of uniform tensile strength is charged up, it will continue to chip off at the ends when the electrostatic pressure there exceeds the uniform tensile strength of the grain. The result can be a prolate grain or a grain which continues chipping until it explodes.

  4. Electrostatic charges generated on aerosolisation of dispersions

    CERN Document Server

    Wang, Y

    2001-01-01

    In responding to the international community's agreement of phasing out chlorofluorocarbon (CFC) propellants by the year 2000, hydrofluoroalkane (HFA) has been chosen to replace CFCs. Intensive investigations related to the new propellant products have been carried out. Aerosol electrostatics is one of the topics investigated. To understand and subsequently control the charging processes is the motive of the research reported here. To help elucidate the complex charging process occurring naturally during atomization of liquids from pressurised Metered Dose Inhalers (pMDIs), it has been broken down into a sequence of related, simpler sub processes-drop charging, streaming current charging (coarse spray), splashing charging and fine spray charging. Our initial studies are of single drops forming at and breaking away from the tips of capillary tubes. The drop forming processes are so slow that any hydrodynamic effect can be dismissed. Then the charge on the drop is measured. It is found that the charge on water ...

  5. Surface charge measurement using an electrostatic probe

    DEFF Research Database (Denmark)

    Crichton, George C; McAllister, Iain Wilson

    1998-01-01

    During the 1960s, the first measurements of charge on dielectric surfaces using simple electrostatic probes were reported. However it is only within the last 10 years that a proper understanding of the probe response has been developed. This situation arose as a consequence of the earlier studies...

  6. Electrostatic charge characteristics of jet nebulized aerosols.

    Science.gov (United States)

    Kwok, Philip Chi Lip; Trietsch, Sebastiaan J; Kumon, Michiko; Chan, Hak-Kim

    2010-06-01

    Liquid droplets can be spontaneously charged in the absence of applied electric fields by spraying. It has been shown by computational simulation that charges may influence particle deposition in the airways. The electrostatic properties of jet nebulized aerosols and their potential effects on lung deposition have hardly been studied. A modified electrical low pressure impactor (ELPI) was employed to characterize the aerosol charges generated from jet nebulized commercial products. The charge and size measurements were conducted at 50% RH and 22 degrees C with a modified ELPI. Ventolin, Bricanyl, and Atrovent were nebulized using PARI LC Plus jet nebulizers coupled to a DeVilbiss Pulmo-Aide compressor. The aerosols were sampled in 30-sec durations. The drug deposits on the impactor stages were assayed chemically using high-performance liquid chromatography (HPLC). The charges of nebulized deionized water, isotonic saline, and the three commercial products diluted with saline were also measured to analyze the contributions of the major nebule ingredients on charging. No mass assays were performed on these runs. All three commercial nebules generated net negative charges. The magnitude of the charges reduced over the period of nebulization. Ventolin and Bricanyl yielded similar charge profiles. Highly variable charges were produced from deionized water. On the other hand, nebulized saline reproducibly generated net positive charges. Diluted commercial nebules showed charge polarity inversion. The charge profiles of diluted salbutamol and terbutaline solutions resembled those of saline, while the charges from diluted ipratropium solutions fluctuated near neutrality. The charge profiles were shown to be influenced by the concentration and physicochemical properties of the drugs, as well as the history of nebulization. The drugs may have unique isoelectric concentrations in saline at which the nebulized droplets would carry near-zero charges. According to results from

  7. Electrostatic charge bounds for ball lightning models

    Energy Technology Data Exchange (ETDEWEB)

    Stephan, Karl D [Department of Technology, Texas State University, San Marcos, TX 78666 (United States)], E-mail: kdstephan@txstate.edu

    2008-03-15

    Several current theories concerning the nature of ball lightning predict a substantial electrostatic charge in order to account for its observed motion and shape (Turner 1998 Phys. Rep. 293 1; Abrahamson and Dinniss 2000 Nature 403 519). Using charged soap bubbles as a physical model for ball lightning, we show that the magnitude of charge predicted by some of these theories is too high to allow for the types of motion commonly observed in natural ball lightning, which includes horizontal motion above the ground and movement near grounded conductors. Experiments show that at charge levels of only 10-15 nC, 3-cm-diameter soap bubbles tend to be attracted by induced charges to the nearest grounded conductor and rupture. We conclude with a scaling rule that can be used to extrapolate these results to larger objects and surroundings.

  8. Electrostatic charge bounds for ball lightning models

    Science.gov (United States)

    Stephan, Karl D.

    2008-03-01

    Several current theories concerning the nature of ball lightning predict a substantial electrostatic charge in order to account for its observed motion and shape (Turner 1998 Phys. Rep. 293 1; Abrahamson and Dinniss 2000 Nature 403 519). Using charged soap bubbles as a physical model for ball lightning, we show that the magnitude of charge predicted by some of these theories is too high to allow for the types of motion commonly observed in natural ball lightning, which includes horizontal motion above the ground and movement near grounded conductors. Experiments show that at charge levels of only 10-15 nC, 3-cm-diameter soap bubbles tend to be attracted by induced charges to the nearest grounded conductor and rupture. We conclude with a scaling rule that can be used to extrapolate these results to larger objects and surroundings.

  9. Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges.

    Science.gov (United States)

    Van Damme, Sofie; Bultinck, Patrick; Fias, Stijn

    2009-02-10

    It is shown that molecular electrostatic potentials obtained from iterative or self-consistent Hirshfeld atomic point charges agree remarkably well with the ab initio computed electrostatic potentials. The iterative Hirshfeld scheme performs nearly as well as electrostatic potential derived atomic charges, having the advantage of allowing the definition of the atom in the molecule, rather than just yielding charges. The quality of the iterative Hirshfeld charges for computing electrostatic potentials is examined for a large set of molecules and compared to other commonly used techniques for population analysis.

  10. Electrostatic charging of JP-4 fuel on polyurethane foams. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Leonard, J.T.; Affens, W.A.

    1978-03-01

    The electrostatic charge generating characteristics of JP-4 fuel were determined on both polyester and polyether-type polyurethane foams. Eleven samples of JP-4 fuel, covering a range in electrical conductivity of 0.65 to 10.27 picosiemens/m (pS/m) were tested. The conductivity of one sample was increased incrementally to 200 pS/m by use of a static dissipator additive (ASA-3). The charging tendency of the fuels was determined by measuring the filter current developed by the passage of 50 ml of fuel through a cylindrical section of foam held in an electrically isolated filter holder. The charging tendencies of all fuel samples were also determined using a reference paper filter. It was found that JP-4 fuels can become charged electrostatically by flowing through polyurethane foam. However, the magnitude of the charge cannot be predicted from the electrical conductivity of the fuel nor on the basis of its charging tendency on the reference paper filter. The charging tendencies on the polyether foams were about six times greater than on the polyester foams. (Author)

  11. Ewald Electrostatics for Mixtures of Point and Continuous Line Charges.

    Science.gov (United States)

    Antila, Hanne S; Tassel, Paul R Van; Sammalkorpi, Maria

    2015-10-15

    Many charged macro- or supramolecular systems, such as DNA, are approximately rod-shaped and, to the lowest order, may be treated as continuous line charges. However, the standard method used to calculate electrostatics in molecular simulation, the Ewald summation, is designed to treat systems of point charges. We extend the Ewald concept to a hybrid system containing both point charges and continuous line charges. We find the calculated force between a point charge and (i) a continuous line charge and (ii) a discrete line charge consisting of uniformly spaced point charges to be numerically equivalent when the separation greatly exceeds the discretization length. At shorter separations, discretization induces deviations in the force and energy, and point charge-point charge correlation effects. Because significant computational savings are also possible, the continuous line charge Ewald method presented here offers the possibility of accurate and efficient electrostatic calculations.

  12. Screened Charge Model in the Treatment of Electrostatic Interactions

    Science.gov (United States)

    Wang, Bo; Leverentz, Hannah; Truhlar, Donald

    2012-02-01

    Partial atomic charges play an important role in molecular simulations of complex systems, and they are widely used to compute the electrostatic interactions in various methods. We propose a screened charge model to include charge penetration and screening effects in electrostatic modeling. In the screened charge model, the atomic charge density of an atom in a molecule is represented by a spherical smeared charge plus a point charge at the nucleus. The new model is illustrated for the electronically embedded combined quantum mechanical and molecular mechanical (QM/MM) calculations and for the electrostatically embedded many-body (EE-MB) method. For a test set of 40 complexes, the mean unsigned error of QM/MM electrostatic interactions between QM and MM regions is reduced from 8.1 to 2.8 kcal/mol and that for QM/MM induction interactions from 1.9 to 1.4 kcal/mol. In a test of five water hexamers, the mean unsigned error of the EE-MB binding energies of the clusters is decreased by a factor of 2 at both the pairwise additive (PA) and three-body (3B) levels. Moreover, we have found that the charges derived by fitting electrostatic potentials with the screened charge method are less sensitive to the positions of the fitting points, and the quality of the fit to the electrostatics is improved.

  13. The Calculation of the Electrostatic Potential of Infinite Charge Distributions

    Science.gov (United States)

    Redzic, Dragan V.

    2012-01-01

    We discuss some interesting aspects in the calculation of the electrostatic potential of charge distributions extending to infinity. The presentation is suitable for the advanced undergraduate level. (Contains 3 footnotes.)

  14. Bipolar Transistors Can Detect Charge in Electrostatic Experiments

    Science.gov (United States)

    Dvorak, L.

    2012-01-01

    A simple charge indicator with bipolar transistors is described that can be used in various electrostatic experiments. Its behaviour enables us to elucidate links between 'static electricity' and electric currents. In addition it allows us to relate the sign of static charges to the sign of the terminals of an ordinary battery. (Contains 7 figures…

  15. Explaining electrostatic charging and flow of surface-modified acetaminophen powders as a function of relative humidity through surface energetics.

    Science.gov (United States)

    Jallo, Laila J; Dave, Rajesh N

    2015-07-01

    Powder flow involves particle-particle and particle-vessel contacts and separation resulting in electrostatic charging. This important phenomenon was studied for uncoated and dry-coated micronized acetaminophen (MAPAP) as a function of relative humidity. The main hypothesis is that by modifying powder surface energy via dry coating of MAPAP performed using magnetically assisted impaction coating, its charging tendency, flow can be controlled. The examination of the relationship between electrostatic charging, powder flow, and the surface energies of the powders revealed that an improvement in flow because of dry coating corresponded to a decrease in the charging of the particles. A general trend of reduction in both electrostatic charging and dispersive surface energy with dry coating and relative humidity were also observed, except that a divergent behavior was observed at higher relative humidities (≥55% RH). The uncoated powder was found to have strong electron acceptor characteristic as compared with the dry coated. The adhesion energy between the particles and the tubes used for the electrostatic charging qualitatively predicted the decreasing trend in electrostatic charging from plastic tubes to stainless steel. In summary, the surface energies of the powders and the vessel could explain the electrostatic charging behavior and charge reduction because of dry coating. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

  16. Electrostatic forces on charged surfaces of bilayer lipid membranes

    OpenAIRE

    Mikucki, Michael; Zhou, Y. C.

    2013-01-01

    Simulating protein-membrane interactions is an important and dynamic area of research. A proper definition of electrostatic forces on membrane surfaces is necessary for developing electromechanical models of protein-membrane interactions. Here we modeled the bilayer membrane as a continuum with general continuous distributions of lipids charges on membrane surfaces. A new electrostatic potential energy functional was then defined for this solvated protein-membrane system. We investigated the ...

  17. Efficacy of electrostatically-charged Glyphosate on ryegrass

    Science.gov (United States)

    Glyphosate, (N-(phosphonomethyl)glycine, a broad spectrum, systemic, post-emergence herbicide, is used extensively for weed control in production agriculture throughout the world. The objective of this research was to determine whether or not it is beneficial to electrostatically charge herbicidal s...

  18. Response of electrostatic probes to eccentric charge distributions

    DEFF Research Database (Denmark)

    Johansson, Torben; McAllister, Iain Wilson

    2001-01-01

    The response of an electrostatic probe mounted in an electrode is examined with reference to eccentric charge distributions. The study involves using the probe λ function to derive a characteristic parameter. This parameter enables the response of the probe to different degrees of eccentricity...

  19. Applications of electrostatic capacitance and charging

    Science.gov (United States)

    Sandu, Titus; Boldeiu, George; Moagar-Poladian, Victor

    2013-12-01

    The capacitance of an arbitrarily shaped object is calculated with the same second-kind integral equation method used for computing static and dynamic polarizabilities. The capacitance is simply the dielectric permittivity multiplied by the area of the object and divided by the squared norm of the Neumann-Poincaré operator eigenfunction corresponding to the largest eigenvalue. The norm of this eigenfunction varies slowly with shape thus enabling the definition of two scale-invariant shape factors and perturbative calculations of capacitance. The result is extended to a special class of capacitors in which the electrodes are the equipotential surfaces generated by the equilibrium charge on the object. This extension allows analytical expressions of capacitance for confocal spheroidal capacitors and finite cylinders. Moreover, a second order formula for thin constant-thickness capacitors is given with direct applications for capacitance of membranes in living cells and of supercapacitors. For axisymmetric geometries, a fast and accurate numerical method is provided.

  20. Partial Atomic Charges and Screened Charge Models of the Electrostatic Potential.

    Science.gov (United States)

    Wang, Bo; Truhlar, Donald G

    2012-06-12

    We propose a new screened charge method for calculating partial atomic charges in molecules by electrostatic potential (ESP) fitting. The model, called full density screening (FDS), is used to approximate the screening effect of full charge densities of atoms in molecules. The results are compared to the conventional ESP fitting method based on point charges and to our previously proposed outer density screening (ODS) method, in which the parameters are reoptimized for the present purpose. In ODS, the charge density of an atom is represented by the sum of a point charge and a smeared negative charge distributed in a Slater-type orbital (STO). In FDS, the charge density of an atom is taken to be the sum of the charge density of the neutral atom and a partial atomic charge (of either sign) distributed in an STO. The ζ values of the STOs used in these two models are optimized in the present study to best reproduce the electrostatic potentials. The quality of the fit to the electrostatics is improved in the screened charge methods, especially for the regions that are within one van der Waals radius of the centers of atoms. It is also found that the charges derived by fitting electrostatic potentials with screened charges are less sensitive to the positions of the fitting points than are those derived with conventional electrostatic fitting. Moreover, we found that the electrostatic-potential-fitted (ESP) charges from the screened charge methods are similar to those from the point-charge method except for molecules containing the methyl group, where we have explored the use of restraints on nonpolar H atoms. We recommend the FDS model if the only goal is ESP fitting to obtain partial atomic charges or a fit to the ESP field. However, the ODS model is more accurate for electronic embedding in combined quantum mechanical and molecular mechanical (QM/MM) modeling and is more accurate than point-charge models for ESP fitting, and it is recommended for applications

  1. Electrostatic readout of DNA microarrays with charged microspheres

    Energy Technology Data Exchange (ETDEWEB)

    Clack, Nathan G. [Univ. of California, Berkeley, CA (United States). Biophysics Graduate Group; Salaita, Khalid [Univ. of California, Berkeley, CA (United States). Department of Chemistry; Groves, Jay T. [Univ. of California, Berkeley, CA (United States). Biophysics Graduate Group and Department of Chemistry

    2008-06-29

    DNA microarrays are used for gene-expression profiling, single-nucleotide polymorphism detection and disease diagnosis. A persistent challenge in this area is the lack of microarray screening technology suitable for integration into routine clinical care. In this paper, we describe a method for sensitive and label-free electrostatic readout of DNA or RNA hybridization on microarrays. The electrostatic properties of the microarray are measured from the position and motion of charged microspheres randomly dispersed over the surface. We demonstrate nondestructive electrostatic imaging with 10-μm lateral resolution over centimeter-length scales, which is four-orders of magnitude larger than that achievable with conventional scanning electrostatic force microscopy. Changes in surface charge density as a result of specific hybridization can be detected and quantified with 50-pM sensitivity, single base-pair mismatch selectivity and in the presence of complex background. Lastly, because the naked eye is sufficient to read out hybridization, this approach may facilitate broad application of multiplexed assays.

  2. Aerosol Sampling Bias from Differential Electrostatic Charge and Particle Size

    Science.gov (United States)

    Jayjock, Michael Anthony

    Lack of reliable epidemiological data on long term health effects of aerosols is due in part to inadequacy of sampling procedures and the attendant doubt regarding the validity of the concentrations measured. Differential particle size has been widely accepted and studied as a major potential biasing effect in the sampling of such aerosols. However, relatively little has been done to study the effect of electrostatic particle charge on aerosol sampling. The objective of this research was to investigate the possible biasing effects of differential electrostatic charge, particle size and their interaction on the sampling accuracy of standard aerosol measuring methodologies. Field studies were first conducted to determine the levels and variability of aerosol particle size and charge at two manufacturing facilities making acrylic powder. The field work showed that the particle mass median aerodynamic diameter (MMAD) varied by almost an order of magnitude (4-34 microns) while the aerosol surface charge was relatively stable (0.6-0.9 micro coulombs/m('2)). The second part of this work was a series of laboratory experiments in which aerosol charge and MMAD were manipulated in a 2('n) factorial design with the percentage of sampling bias for various standard methodologies as the dependent variable. The experiments used the same friable acrylic powder studied in the field work plus two size populations of ground quartz as a nonfriable control. Despite some ill conditioning of the independent variables due to experimental difficulties, statistical analysis has shown aerosol charge (at levels comparable to those measured in workroom air) is capable of having a significant biasing effect. Physical models consistent with the sampling data indicate that the level and bipolarity of the aerosol charge are determining factors in the extent and direction of the bias.

  3. Electrostatics in Biomolecular Interactions: a Surface Charge Method

    Science.gov (United States)

    Yu, Yi-Kuo

    2005-03-01

    Biomolecular interactions determine how transcription factors recognize their DNA binding sites, how proteins interact with each other, and consequently how a biological system functions. Since both proteins and DNAs are significantly charged, electrostatic interactions are among the most important when studying biomolecular interactions. Although the fundamental equations for electrostatics are known, the solution in low symmetry situations with a high dielectric constant solvent (e.g. water) can be difficult to obtain in an appropriate form and with an acceptable degree of accuracy and amount of computation. In order to compute the electrostatic force, each atom is usually modeled as a dielectric sphere with a point charge at its center. Even the case of two spheres is non-trivial. The energetic calculations of such a system are still very crude and lack systematic control of accuracy. To establish a scheme where accuracy of the computation can be controlled systematically, we have established a new formulation where the surface charge distribution is used as a new variable. The surface charge has the advantage of reducing the number of degrees of freedom (from 3D to 2D), can accommodate the presence of ions, and is applicable to arbitrary geometrical shapes. The Poisson-Boltzmann equation is currently the most popular approach in dealing with ionic effects. This approach, unfortunately, suffers from several drawbacks. In this talk, I will describe these drawbacks in slightly more detail, and describe possible methods to circumvent these problems. The solution for general geometrical shapes can be obtained numerically by choosing a tiling of the surface and solving a corresponding set of linear algebraic equations (the finite-element method). These equations can be efficiently solved numerically for use in molecular dynamics simulations.

  4. Electrostatics-Driven Hierarchical Buckling of Charged Flexible Ribbons.

    Science.gov (United States)

    Yao, Zhenwei; Olvera de la Cruz, Monica

    2016-04-08

    We investigate the rich morphologies of an electrically charged flexible ribbon, which is a prototype for many beltlike structures in biology and nanomaterials. Long-range electrostatic repulsion is found to govern the hierarchical buckling of the ribbon from its initially flat shape to its undulated and out-of-plane twisted conformations. In this process, the screening length is the key controlling parameter, suggesting that a convenient way to manipulate the ribbon morphology is simply to change the salt concentration. We find that these shapes originate from the geometric effect of the electrostatic interaction, which fundamentally changes the metric over the ribbon surface. We also identify the basic modes by which the ribbon reshapes itself in order to lower the energy. The geometric effect of the physical interaction revealed in this Letter has implications for the shape design of extensive ribbonlike materials in nano- and biomaterials.

  5. Electrostatic Charging of Polymers by Particle Impact at Low Pressures

    Science.gov (United States)

    Calle, Carlos I.; Mantovani, J. G.; Buhler, C. R.; Hogue, M. D.; Nowicki, A. W.; Groop, E. E.; Thompson, Karen (Technical Monitor)

    2001-01-01

    Studies of the electrostatic interaction between micrometer-sized particles and polymer surfaces are of great interest to NASA's planetary exploration program. The unmanned landing missions to Mars planned for this decade as well as the possible manned missions that might take place during the second decade of this century require a better understanding of the electrostatic response of the materials used in landing crafts and equipment when exposed to wind-blown dust or to surface dust and sand particles. We report on preliminary experiments designed to measure the electrostatic charge developed on five polymer surfaces as they are impacted simultaneously by Mars simulant particles less than 5 micrometers in diameter moving at 20 m/s. Experiments were performed in a CO2 atmosphere at 10 mbars of pressure using a particle delivery method that propels the particles with contact. Experiments were also performed in dry air at atmospheric pressures using a pressurized particle delivery system. The five polymer surfaces, commonly used in space applications, were chosen so that they span the triboelectric series.

  6. Measurement of the electrostatic charge in airborne particles: I - development of the equipment and preliminary results

    Directory of Open Access Journals (Sweden)

    Marra Jr. W.D.

    2000-01-01

    Full Text Available The design and construction of a equipment capable of measuring the electrostatic charges in aerosols, named the electrostatic charge classifier, were carried out. They were based on the concept of particle electromobility and the charge classifier was intended to classify the nature and the distribution of electrostatic charges as a function of particle size. The resulting piece of equipment is easy to dismount, which facilitates its cleaning and transport, and easy to operate. Early results indicate that the values of electrostatic charge measured on test particles are inside the range reported in the literature, indicating the adequacy of the technique utilized.

  7. Tailoring Membrane Surface Charges: A Novel Study on Electrostatic Interactions during Membrane Fouling

    Directory of Open Access Journals (Sweden)

    Daniel Breite

    2015-10-01

    Full Text Available In this work we aim to show that the overall surface potential is a key factor to understand and predict anti-fouling characteristics of a polymer membrane. Therefore, polyvinylidene fluoride membranes were modified by electron beam-induced grafting reactions forming neutral, acidic, alkaline or zwitterionic structures on the membrane surface. The differently charged membranes were investigated regarding their surface properties using diverse analytical methods: zeta potential, static and dynamic water contact angle, scanning electron microscopy (SEM and X-ray photoelectron spectroscopy (XPS. Porosimetry measurements proved that there is no pore blocking due to the modifications. Monodisperse suspensions of differently charged polystyrene beads were synthesized by a radical emulsion polymerization reaction and were used as a model fouling reagent, preventing comparability problems known from current literature. To simulate membrane fouling, different bead suspensions were filtered through the membranes. The fouling characteristics were investigated regarding permeation flux decline and concentration of model fouling reagent in filtrate as well as by SEM. By considering electrostatic interactions equal to hydrophobic interactions we developed a novel fouling test system, which enables the prediction of a membrane’s fouling tendency. Electrostatic forces are dominating, especially when charged fouling reagents are present, and can help to explain fouling characteristics that cannot be explained considering the surface wettability.

  8. Electrostatic free energy of weakly charged macromolecules in solution and intermacromolecular complexes consisting of oppositely charged polymers

    NARCIS (Netherlands)

    Biesheuvel, P.M.; Cohen Stuart, M.A.

    2004-01-01

    When oppositely charged polyelectrolytes are mixed in water, attraction between oppositely charged groups may lead to the formation of polyelectrolyte complexes (associative phase separation, complex coacervation, interpolymer complexes). Theory is presented to describe the electrostatic free energy

  9. Electrostatics and charge regulation in polyelectrolyte multilayered assembly.

    Science.gov (United States)

    Cherstvy, Andrey G

    2014-05-01

    We examine the implications of electrostatic interactions on formation of polyelectrolyte multilayers, in application to field-effect based biosensors for label-free detection of charged macromolecules. We present a quantitative model to describe the experimental potentiometric observations and discuss its possibilities and limitations for detection of polyelectrolyte adsorption. We examine the influence of the ionic strength and pH on the sensor response upon polyelectrolyte layer-by-layer formation. The magnitude of potential oscillations on the sensor-electrolyte interface predicted upon repetitive adsorption charge-alternating polymers agrees satisfactorily with experimental results. The model accounts for different screening by mobile ions in electrolyte and inside tightly interdigitated multilayered structure. In particular, we show that sensors' potential oscillations are larger and more persistent at lower salt conditions, while they decay faster with the number of layers at higher salt conditions, in agreement with experiments. The effects of polyelectrolyte layer thickness, substrate potential, and charge regulation on the sensor surface triggered by layer-by-layer deposition are also analyzed.

  10. Electrostatics in the Surroundings of a Topologically Charged Black Hole in the Brane

    Directory of Open Access Journals (Sweden)

    Alexis Larrañaga

    2014-01-01

    Full Text Available We determine the expression for the electrostatic potential generated by a point charge held stationary in the topologically charged black hole spacetime arising from the Randall-Sundrum II braneworld model. We treat the static electric point charge as a linear perturbation on the black hole background and an expression for the electrostatic multipole solution is given: PACS: 04.70.-s, 04.50.Gh, 11.25.-w, 41.20.-q, 41.90.+e.

  11. Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics

    Science.gov (United States)

    Unke, Oliver T.; Devereux, Mike; Meuwly, Markus

    2017-10-01

    Most empirical force fields use atom-centered point charges (PCs) to represent the electrostatic potential (ESP) around molecules. While such PC models are computationally efficient, they are unable to capture anisotropic electronic features, such as σ holes or lone pairs. These features are better described using atomic multipole (MTP) moments, which significantly improve the quality of the resulting ESP. However, the improvement comes at the expense of a considerably increased computational complexity and cost for calculating the interaction energies and forces. In the present work, a novel minimal distributed charge model (MDCM) based on off-centered point charges is presented and the quality of the resulting ESP is compared to the performance of MTPs and atom-centered PC models for several test molecules. All three models are fitted using the same algorithm based on differential evolution, which is available as a Fortran90 program from the authors upon request. We show that the MDCM is capable of approximating the reference ab initio ESP with an accuracy as good as, or better than, MTPs without the need for computationally expensive higher order multipoles. Further it is demonstrated that the MDCM is numerically stable in molecular dynamics simulations and is able to reproduce electrostatic interaction energies and thermodynamic quantities with the same accuracy as MTPs at reduced computational cost.

  12. Electrostatics in ionic solution : work and energy, charge regulation, and inhomogeneous surfaces

    NARCIS (Netherlands)

    Boon, N.J.H.

    2012-01-01

    This thesis concerns the electrostatic properties of charged objects that are immersed into an ionic solvent, for example water with dissolved salt. Typically, the ions inside such a solvent form layers of countercharge close to the charged objects, causing `screening' of the charges. By employing

  13. In situ measurement of electrostatic charge and charge distribution on flyash particles in power station exhaust stream

    Energy Technology Data Exchange (ETDEWEB)

    Guang, D.

    1992-01-01

    The electrostatic charges and charge distributions on individual flyash particles were experimentally measured in situ at four power stations in New South Wales and in the laboratory with an Electrostatic Charge Classifier. The global charge of these flyashes was also measured. The electrostatic charge on flyash particles of four power stations was found to be globally native. The median charge on the flyash particles varies linearly with particle diameter for all four flyashes. The electrostatic charge on the Tallawarra flyash particles was found to increase after passage through the air heater having huge metal surface areas, suggesting that triboelectrification was the primary charging mechanism for flyash particles. Distinctly different characteristics of the electrostatic charge, particle size and particle shape were found between the Eraring and the Tallawarra flyashes. The spherical Eraring ash has the highest proportion of lines and positively charged particles, but the lowest global charge level among the four flyashes. In contrast, the Tallawarra flyash has just the opposite. It is the distinct characteristics of the flyashes from Eraring and Tallawarra power stations that are responsible for the significant differences in their baghouse performance. The napping feature on the surface of the filter bags used in the Eraring and Tallawarra power stations provides an upstream surface of low fibre density above the fabric bulk. This feature presents and advantage to highly charged particles, like the Tallawarra flyash particles. Highly charged particles tend to deposit on such an upstream surface resulting in a porous dust cake with much less contact areas with the fabric medium than would otherwise be formed. This cake is easy to remove and provides less resistance to the gas flow. After singeing the naps on the filter bag surface at the Eraring power station, the problems of high pressure drop and retention of dust cake on the bas surface have been resolved.

  14. Mechanisms controlling retention during ultrafiltration of charged saccharides: Molecular conformation and electrostatic forces

    DEFF Research Database (Denmark)

    Pinelo, Manuel; Møller, Victor; Prado-Rubio, Oscar A.

    2013-01-01

    Separation of different biomass components in solution, including charged saccharides, is one of the key challenges in biorefining of plant biomass. Ultrafiltration is one of the potential processes that could cope with such separation. Electrostatic interactions between solute molecules and betw......Separation of different biomass components in solution, including charged saccharides, is one of the key challenges in biorefining of plant biomass. Ultrafiltration is one of the potential processes that could cope with such separation. Electrostatic interactions between solute molecules...

  15. Effect of electrostatic charge on the contamination of plastic food containers by airborne bacterial spores.

    Science.gov (United States)

    Baribo, L E; Avens, J S; O'neill, R D

    1966-11-01

    Electrostatic charge of approximately -10 kv was produced by friction on polystyrene food container samples. This charge quickly decayed to a lower, more stable, level. Exposure of samples to positively charged red and negatively charged green fluorescent particles resulted in a particle-distribution pattern on the plastic surface. The dynamic attraction of fluorescent particles was illustrated by time-lapse photography. Similar distribution patterns of airborne bacterial spores were shown to develop. In controlled bacterial aerosol exposure tests, an increase in surface contamination of the plastic samples was found to be quantitatively related to an increase in negative electrostatic charge on the plastic. Static charge was found to accumulate on plastic food containers during their manufacture, and to remain indefinitely on many of the finished products. This charge was of the intensity and polarity to attract positively charged bacterial cells if such particles were present in the air.

  16. Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties

    Science.gov (United States)

    Sokalski, W. A.; Shibata, M.; Ornstein, R. L.; Rein, R.

    1992-01-01

    The quality of several atomic charge models based on different definitions has been analyzed using cumulative atomic multipole moments (CAMM). This formalism can generate higher atomic moments starting from any atomic charges, while preserving the corresponding molecular moments. The atomic charge contribution to the higher molecular moments, as well as to the electrostatic potentials, has been examined for CO and HCN molecules at several different levels of theory. The results clearly show that the electrostatic potential obtained from CAMM expansion is convergent up to R-5 term for all atomic charge models used. This illustrates that higher atomic moments can be used to supplement any atomic charge model to obtain more accurate description of electrostatic properties.

  17. Charge-state dynamics in electrostatic force spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Ondráček, Martin; Hapala, Prokop; Jelínek, Pavel

    2016-01-01

    Roč. 27, č. 27 (2016), 1-13, č. článku 274005. ISSN 0957-4484 R&D Projects: GA ČR(CZ) GA14-02079S Institutional support: RVO:68378271 Keywords : atomic force microscopy * electron tunneling * redox nanoswitches * electrostatic force spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.440, year: 2016

  18. Electrostatic interactions between immunoglobulin (IgG) molecules and a charged sorbent

    NARCIS (Netherlands)

    Bremer, M.G.E.G.; Duval, J.; Norde, Willem; Lyklema, J.

    2004-01-01

    The influence of electrostatic interactions on the adsorption of IgG is examined both theoretically and experimentally. The long-range interaction between IgG and the charged sorbent surface is treated in terms of the DLVO theory taking into account the possibility of charge- and potential

  19. Electrostatic Deformation of Liquid Surfaces by a Charged Rod and a Van De Graaff Generator

    Science.gov (United States)

    Slisko, Josip; García-Molina, Rafael; Abril, Isabel

    2014-01-01

    Authors of physics textbooks frequently use the deflection of a thin, vertically falling water jet by a charged balloon, comb, or rod as a visually appealing and conceptually relevant example of electrostatic attraction. Nevertheless, no attempts are made to explore whether these charged bodies could cause visible deformation of a horizontal water…

  20. Electrostatic potential of a charged ring: Applications to elliptic integral identities

    Science.gov (United States)

    Noh, Heung-Ryoul

    2017-07-01

    We present a proof of a transformation identity of a complete elliptic integral of the first kind, presented in a recent publication [O. Ciftja et al., Eur. J. Phys. 30, 623 (2009)], where it was derived from an analytical solution of the electrostatic potential due to a uniformly charged ring. In addition, by calculating the electrostatic potential due to a charged ring with a sinusoidal charge distribution, we obtain a new mathematical identity for the complete elliptic integral of the second kind. We show that these two identities can be derived from the existing mathematical identities of elliptic integrals, proving them in a direct manner.

  1. Electrostatic Charge Effects on Pharmaceutical Aerosol Deposition in Human Nasal–Laryngeal Airways

    Directory of Open Access Journals (Sweden)

    Jinxiang Xi

    2014-01-01

    Full Text Available Electrostatic charging occurs in most aerosol generation processes and can significantly influence subsequent particle deposition rates and patterns in the respiratory tract through the image and space forces. The behavior of inhaled aerosols with charge is expected to be most affected in the upper airways, where particles come in close proximity to the narrow turbinate surface, and before charge dissipation occurs as a result of high humidity. The objective of this study was to quantitatively evaluate the deposition of charged aerosols in an MRI-based nasal–laryngeal airway model. Particle sizes of 5 nm–30 µm and charge levels ranging from neutralized to ten times the saturation limit were considered. A well-validated low Reynolds number (LRN k–ω turbulence model and a discrete Lagrangian tracking approach that accounted for electrostatic image force were employed to simulate the nasal airflow and aerosol dynamics. For ultrafine aerosols, electrostatic charge was observed to exert a discernible but insignificant effect. In contrast, remarkably enhanced depositions were observed for micrometer particles with charge, which could be one order of magnitude larger than no-charge depositions. The deposition hot spots shifted towards the anterior part of the upper airway as the charge level increased. Results of this study have important implications for evaluating nasal drug delivery devices and for assessing doses received from pollutants, which often carry a certain level of electric charges.

  2. Calculation of the electrostatic potentials at the nuclei in the point-charge approximation

    Energy Technology Data Exchange (ETDEWEB)

    Maksic, Z.B.; Rupnik, K.

    1983-03-01

    It is shown that the concept of atomic charge in molecules is a useful tool in studying electrostatic potentials at the nuclei which in turn are closely related to a number of molecular properties. Calculations executed on a selected set of widely different compounds provide extensive evidence that the semiempirical SCC-MO (self-consistent charge) atomic charges are equally successful in this respect as the ab initio DZ ones.

  3. Optimization of binding electrostatics: Charge complementarity in the barnase-barstar protein complex

    OpenAIRE

    lee, Lee-Peng; Tidor, Bruce

    2001-01-01

    Theoretical and experimental studies have shown that the large desolvation penalty required for polar and charged groups frequently precludes their involvement in electrostatic interactions that contribute strongly to net stability in the folding or binding of proteins in aqueous solution near room temperature. We have previously developed a theoretical framework for computing optimized electrostatic interactions and illustrated use of the algorithm with simplified geometries. Given a recepto...

  4. Lightning-induced extensive charge sheets provide long range electrostatic thunderstorm detection.

    Science.gov (United States)

    Bennett, A J; Harrison, R G

    2013-07-26

    By combining electrostatic measurements of lightning-induced electrostatic field changes with radio frequency lightning location, some field changes from exceptionally distant lightning events are apparent which are inconsistent with the usual inverse cube of distance. Furthermore, by using two measurement sites, a transition zone can be identified beyond which the electric field response reverses polarity. For these severe lightning events, we infer a horizontally extensive charge sheet above a thunderstorm, consistent with a mesospheric halo of several hundred kilometers' extent.

  5. ELECTROSTATIC FORCES IN WIND-POLLINATION: PART 1: MEASUREMENT OF THE ELECTROSTATIC CHARGE ON POLLEN

    Science.gov (United States)

    Under fair weather conditions, a weak electric field exists between negative charge induced on the surface of plants and positive charge in the air. This field is magnified around points (e.g. stigmas) and can reach values up to 3x106 V m-1. If wind-disperse...

  6. Electrostatics and aggregation: How charge can turn a crystal into a gel

    Science.gov (United States)

    Schmit, Jeremy D.; Whitelam, Stephen; Dill, Ken

    2011-01-01

    The crystallization of proteins or colloids is often hindered by the appearance of aggregates of low fractal dimension called gels. Here we study the effect of electrostatics upon crystal and gel formation using an analytic model of hard spheres bearing point charges and short range attractive interactions. We find that the chief electrostatic free energy cost of forming assemblies comes from the entropic loss of counterions that render assemblies charge-neutral. Because there exists more accessible volume for these counterions around an open gel than a dense crystal, there exists an electrostatic entropic driving force favoring the gel over the crystal. This driving force increases with increasing sphere charge, but can be counteracted by increasing counterion concentration. We show that these effects cannot be fully captured by pairwise-additive macroion interactions of the kind often used in simulations, and we show where on the phase diagram to go in order to suppress gel formation. PMID:21895221

  7. Electrostatic double-layer interaction between stacked charged bilayers

    Science.gov (United States)

    Hishida, Mafumi; Nomura, Yoko; Akiyama, Ryo; Yamamura, Yasuhisa; Saito, Kazuya

    2017-10-01

    The inapplicability of the DLVO theory to multilayered anionic bilayers is found in terms of the co-ion-valence dependence of the lamellar repeat distance. Most of the added salt is expelled from the interlamellar space to the bulk due to the Gibbs-Donnan effect on multiple bilayers with the bulk. The electrostatic double-layer interaction is well expressed by the formula recently proposed by Trefalt. The osmotic pressure due to the expelled ions, rather than the van der Waals interaction, is the main origin of the attractive force between the bilayers.

  8. Electrostatic repulsion of charged pith balls hanging from strings

    Energy Technology Data Exchange (ETDEWEB)

    Mungan, Carl E, E-mail: mungan@usna.ed [Physics Department, US Naval Academy, Annapolis, MD 21402-1363 (United States)

    2011-01-15

    Two positively charged pith balls hang from a nail at the end of equal-length strings in Earth's surface gravitational field. The problem consists in finding each of the hanging angles when the balls do not necessarily have the same mass or charge. The solution is an excellent exercise in developing two skills: wisely choosing the coordinate axes in a free-body diagram, and correctly interpreting the roots and limits of a numerical solution. The treatment is accessible to undergraduate physics majors in their first or second year of physics courses.

  9. Electrostatic repulsion of charged pith balls hanging from strings

    Science.gov (United States)

    Mungan, Carl E.

    2011-01-01

    Two positively charged pith balls hang from a nail at the end of equal-length strings in Earth's surface gravitational field. The problem consists in finding each of the hanging angles when the balls do not necessarily have the same mass or charge. The solution is an excellent exercise in developing two skills: wisely choosing the coordinate axes in a free-body diagram, and correctly interpreting the roots and limits of a numerical solution. The treatment is accessible to undergraduate physics majors in their first or second year of physics courses.

  10. An electrostatic charge sensor based on micro resonator with sensing scheme of effective stiffness perturbation

    Science.gov (United States)

    Chen, Dongyang; Zhao, Jiuxuan; Wang, Yinshen; Xie, Jin

    2017-06-01

    A resonant electrostatic charge sensor with high sensitivity based on micro electromechanical systems (MEMS) technology is proposed to measure electric charge. Input charge produces lateral electrostatic force to change effective stiffness of double-ended tuning forks resonator, and leads to a resonant frequency shift. The sensitivity of the charge sensor is 4.4  ×  10-4 Hz fC-2. The proposed sensing scheme of effective stiffness perturbation has higher sensitivity than the traditional axial strain sensing methods. Experimental results show that the frequency modulation has better resolution and stability than the amplitude modulation. The proposed sensing scheme also creates additional energy transmission paths inside the device to improve quality factor and stabilize frequency fluctuation. The instability of resonant frequency induced by mechanical nonlinearity are investigated.

  11. Electrostatic Charge on Flying Hummingbirds and Its Potential Role in Pollination.

    Directory of Open Access Journals (Sweden)

    Marc Badger

    Full Text Available Electrostatic phenomena are known to enhance both wind- and insect-mediated pollination, but have not yet been described for nectar-feeding vertebrates. Here we demonstrate that wild Anna's Hummingbirds (Calypte anna can carry positive charges up to 800 pC while in flight (mean ± s.d.: 66 ± 129 pC. Triboelectric charging obtained by rubbing an isolated hummingbird wing against various plant structures generated charges up to 700 pC. A metal hummingbird model charged to 400 pC induced bending of floral stamens in four plants (Nicotiana, Hemerocallis, Penstemon, and Aloe spp., and also attracted falling Lycopodium spores at distances of < 2 mm. Electrostatic forces may therefore influence pollen transfer onto nectar-feeding birds.

  12. Electric Double Layer electrostatics of spherical polyelectrolyte brushes with pH-dependent charge density

    Science.gov (United States)

    Li, Hao; Chen, Guang; Sinha, Shayandev; Das, Siddhartha; Soft Matter, Interfaces,; Energy Laboratory (Smiel) Team

    Understanding the electric double layer (EDL) electrostatics of spherical polyelectrolyte (PE) brushes, which are spherical particles grafted with PE layers, is essential for appropriate use of PE-grfated micro-nanoparticles for targeted drug delivery, oil recovery, water harvesting, emulsion stabilization, emulsion breaking, etc. Here we elucidate the EDL electrostatics of spherical PE brushes for the case where the PE exhibits pH-dependent charge density. This pH-dependence necessitates the consideration of explicit hydrogen ion concentration, which in turn dictates the distribution of monomers along the length of the grafted PE. This monomer distribution is shown to be a function of the nature of the sphere (metallic or a charged or uncharged dielectric or a liquid-filled sphere). All the calculations are performed for the case where the PE electrostatics can be decoupled from the PE elastic and excluded volume effects. Initial predictions are also provided for the case where such decoupling is not possible.

  13. Thermodynamic Bounds on Nonlinear Electrostatic Perturbations in Intense Charged Particle Beams

    Energy Technology Data Exchange (ETDEWEB)

    Nikolas C. Logan and Ronald C. Davidson

    2012-07-18

    This paper places a lowest upper bound on the field energy in electrostatic perturbations in single-species charged particle beams with initial temperature anisotropy (TllT⊥ < 1). The result applies to all electrostatic perturbations driven by the natural anisotropies that develop in accelerated particle beams, including Harris-type electrostatic instabilities, known to limit the luminosity and minimum spot size attainable in experiments. The thermodynamic bound on the field perturbation energy of the instabilities is obtained from the nonlinear Vlasov-Poisson equations for an arbitrary initial distribution function, including the effects of intense self-fields, finite geometry and nonlinear processes. This paper also includes analytical estimates of the nonlinear bounds for space-charge-dominated and emittance-dominated anisotropic bi-Maxwellian distributions.

  14. Electrostatic charges in v x B fields and the phenomenon of induction

    CERN Document Server

    Bringuier, E

    2003-01-01

    The appearance of electrostatic charges in a moving conductor subjected to a static magnetic field is reviewed, and the ensuing electric field is shown to obey Faraday's law of induction. The charge density and the electric field are determined analytically in detail in the case of a circular loop rotating in a uniform magnetic field. The case of a non-conductor moving in a magnetic field is also dealt with. Non-relativistic reasoning and calculations are used throughout.

  15. Electrostatic interactions and aqueous two-phase separation modes of aqueous mixed oppositely charged surfactants system.

    Science.gov (United States)

    Hao, Li-Sheng; Gui, Yuan-Xiang; Chen, Yan-Mei; He, Shao-Qing; Nan, Yan-Qing; You, Yi-Lan

    2012-08-30

    Electrostatic interactions play an important role in setting the aqueous two-phase separation behaviors of mixtures of oppositely charged surfactants. The aqueous mixture of cetyltrimethylammonium bromide (CTAB) and sodium dodecylsulfonate (AS) is actually a five-component system, comprised of CTAB, AS, complex salt (cetyltrimethylammonium dodecylsulfonate, abbreviated as CTA(+)AS(-)), NaBr, and water. In the three-dimensional pyramid phase diagram, the aqueous two-phase region with excess AS or with excess CTAB extends successively from the region very near to the NaBr-H2O line through the CTAB-AS-H2O conventional mixing plane to the CTA(+)AS(-)-AS-H2O side plane or to the CTA(+)AS(-)-CTAB-H2O side plane, respectively. Large or small molar ratios between the counterions and their corresponding surfactant ions for oppositely charged surfactants located in the NaBr side or the CTA(+)AS(-) side of the pyramid imply strong or weak electrostatic screening. Electrostatic screening of counterions alters the electrostatic attractions between the oppositely charged head groups or the electrostatic repulsions between the like-charged head groups in excess, and the electrostatic free energy of aggregation thus affects the aqueous two-phase separation modes. Composition analysis, rheological property investigation, and TEM images suggest that there are two kinds of aqueous two-phase systems (ATPSs). On the basis of these experimental results and Kaler's cell model, two kinds of phase separation modes were proposed. Experimental results also indicate that all of the top phases are surfactant-rich, and all of the bottom phases are surfactant-poor; the density difference between the top phase and the bottom phase in one ATPS is very small; the interfacial tension (σ) of the ATPS is ultralow.

  16. Confusing Aspects in the Calculation of the Electrostatic Potential of an Infinite Line of Charge

    Science.gov (United States)

    Jimenez, J. L.; Campos, I.; Roa-Neri, J. A. E.

    2012-01-01

    In this work we discuss the trick of eliminating infinite potential of reference arguing that it corresponds to a constant of integration, in the problem of determining the electrostatic potential of an infinite line of charge with uniform density, and show how the problem must be tackled properly. The usual procedure is confusing for most…

  17. Electrostatic charging of spacecraft in response to electron beam injection

    Science.gov (United States)

    Singh, Nagendra; Hwang, K. S.

    1989-01-01

    Electron beam injections from spacecraft now constitute a major activity in space research. Here, the charging level of a conducting surface when an electron beam is injected from it is investigated. Injections into both vacuum and an ambient plasma are considered. When a Maxwellian beam is injected into vacuum, the surface changes to a potential much greater than the average beam energy. The dependence of this excess is examined by considering beams with water-bag types of velocity distribution functions in which no electron has a velocity V(max) above a certain value. The electric field distribution in the electron sheath near the surface is determined by the pressure distribution. Thus, the surface potential is determined not only by V(max) but by all the beam parameters. The ambient plasma reduces the charging level and causes an oscillation in the surface potential. The oscillation frequency is the electron-plasma frequency associated with the ambient plasma.

  18. Numerical Investigation of Two-Phase Flows With Charged Droplets in Electrostatic Field

    Science.gov (United States)

    Kim, Sang-Wook

    1996-01-01

    A numerical method to solve two-phase turbulent flows with charged droplets in an electrostatic field is presented. The ensemble-averaged Navier-Stokes equations and the electrostatic potential equation are solved using a finite volume method. The transitional turbulence field is described using multiple-time-scale turbulence equations. The equations of motion of droplets are solved using a Lagrangian particle tracking scheme, and the inter-phase momentum exchange is described by the Particle-In-Cell scheme. The electrostatic force caused by an applied electrical potential is calculated using the electrostatic field obtained by solving a Laplacian equation and the force exerted by charged droplets is calculated using the Coulombic force equation. The method is applied to solve electro-hydrodynamic sprays. The calculated droplet velocity distributions for droplet dispersions occurring in a stagnant surrounding are in good agreement with the measured data. For droplet dispersions occurring in a two-phase flow, the droplet trajectories are influenced by aerodynamic forces, the Coulombic force, and the applied electrostatic potential field.

  19. Synthesis of electrostatic fields for transportation of charged particle beams

    Directory of Open Access Journals (Sweden)

    Vladimir V. Pavlov

    2016-06-01

    Full Text Available In this paper, an approach to creating corpuscular-optical devices for transportation and transformation of charged particle beams has been elucidated. These devices are able to optimize and create the most convenient configuration of ionic or electron paths. The approach relies upon the inverse dynamics problem formulated on the basis of the Hamilton-Jacobi equation. The motion in the symmetry plane of a three-dimensional (3D field was considered. The problem was solved by analytical methods. An algorithm for constructing electric fields providing the particle motion on the desired trajectories was described. А key to this algorithm lies with a concept of conformal transformation from the theory of complex-valued function. This procedure was illustrated by examples. Quadratic potential was chosen as a basis. Three functions of conformal transformation were considered, providing the rotation of the focused charged particle beam at a fixed angle, the transformation of divergent flow to parallel one. The calculated two-dimensional potentials were extended into 3D-space by power series expansion on transverse coordinate. Device embodiments were suggested on the basis of the calculated field structures.

  20. The impact and persistence of electrostatic charge on the passivation of silicon strip sensors

    Energy Technology Data Exchange (ETDEWEB)

    König, A., E-mail: axel.koenig@oeaw.ac.at; Bergauer, T.; Schmidt, P.

    2016-12-01

    Silicon strip sensors as used for tracking detectors in high-energy physics experiments are bare large-area silicon devices without any packaging. To protect them from environmental influences like humidity and mechanical damage, a passivation is deposited as the uppermost layer. The passivation can consist of different materials like silicon oxide, silicon nitride, polyimides or doped glasses. In this study we first demonstrate the impact of static surface charge on the sensor characteristics. This is followed by investigations on how sensitive different passivation layers of silicon strip sensors are against charge-up and how these charges retain. For such purpose, a corona charge-up device has been built and used to charge up the detectors. The surface potential distribution caused by the charge was mapped using an electrostatic voltmeter. The self-discharge of sensors with different passivation layers was investigated by long-term studies.

  1. Charged particle dynamics in the presence of non-Gaussian L\\'evy electrostatic fluctuations

    CERN Document Server

    Moradi, Sara; Anderson, Johan

    2016-01-01

    Full orbit dynamics of charged particles in a $3$-dimensional helical magnetic field in the presence of $\\alpha$-stable L\\'evy electrostatic fluctuations and linear friction modeling collisional Coulomb drag is studied via Monte Carlo numerical simulations. The L\\'evy fluctuations are introduced to model the effect of non-local transport due to fractional diffusion in velocity space resulting from intermittent electrostatic turbulence. The probability distribution functions of energy, particle displacements, and Larmor radii are computed and showed to exhibit a transition from exponential decay, in the case of Gaussian fluctuations, to power law decay in the case of L\\'evy fluctuations. The absolute value of the power law decay exponents are linearly proportional to the L\\'evy index $\\alpha$. The observed anomalous non-Gaussian statistics of the particles' Larmor radii (resulting from outlier transport events) indicate that, when electrostatic turbulent fluctuations exhibit non-Gaussian L\\'evy statistics, gyr...

  2. Chargeability measurements of selected pharmaceutical dry powders to assess their electrostatic charge control capabilities.

    Science.gov (United States)

    Ramirez-Dorronsoro, Juan-Carlos; Jacko, Robert B; Kildsig, Dane O

    2006-01-01

    The purpose of this study was to develop an instrument (the Purdue instrument) and the corresponding methodologies to measure the electrostatic charge development (chargeability) of dry powders when they are in dynamic contact with stainless steel surfaces. The system used an inductive noncontact sensor located inside an aluminum Faraday cage and was optimized to measure the charging capabilities of a fixed volume of powder (0.5 cc). The chargeability of 5,5-diphenyl-hydantoin, calcium sulfate dihydrate, cimetidine, 3 grades of colloidal silicon dioxide, magnesium stearate, 4 grades of microcrystalline cellulose, salicylic acid, sodium carbonate, sodium salicylate, spray-dried lactose, and sulfinpyrazone were tested at 4 linear velocities, and the particle size distribution effect was assessed for 3 different grades of colloidal silicon dioxide and 4 different grades of microcrystalline cellulose. The chargeability values exhibited a linear relationship for the range of velocities studied, with colloidal silicon dioxide exhibiting the maximum negative chargeability and with spray-dried lactose being the only compound to exhibit positive chargeability. The instrument sensitivity was improved by a factor of 2 over the first generation version, and the electrostatic charge measurements were reproducible with relative standard deviations ranging from nondetectable to 33.7% (minimum of 3 replicates). These results demonstrate the feasibility of using the Purdue instrument to measure the electrostatic charge control capabilities of pharmaceutical dry powders with a reasonable level of precision.

  3. Charge separation energetics at organic heterojunctions: on the role of structural and electrostatic disorder.

    Science.gov (United States)

    Castet, Frédéric; D'Avino, Gabriele; Muccioli, Luca; Cornil, Jérôme; Beljonne, David

    2014-10-14

    Improving the performance of organic photovoltaic cells requires the individuation of the specific factors limiting their efficiency, by rationalizing the relationship between the chemical nature of the materials, their morphology, and the electronic processes taking place at their interface. In this contribution, we present recent theoretical advances regarding the determination of the energetics and dynamics of charge carriers at organic-organic interfaces, highlighting the role of structural and electrostatic disorder in the separation of electron-hole pairs. The influence of interfacial electrostatic interactions on charge carrier energetics is first illustrated in model aggregates. Then, we review some of our recent theoretical studies in which we combined molecular dynamics, quantum-chemical and classical micro-electrostatic methods to evaluate the energy landscape explored by the mobile charges in the vicinity of donor-acceptor interfaces with realistic morphologies. Finally, we describe the theoretical challenges that still need to be overcome in order to gain a complete overview of the charge separation processes at the molecular level.

  4. Charged patchy particle models in explicit salt: Ion distributions, electrostatic potentials, and effective interactions.

    Science.gov (United States)

    Yigit, Cemil; Heyda, Jan; Dzubiella, Joachim

    2015-08-14

    We introduce a set of charged patchy particle models (CPPMs) in order to systematically study the influence of electrostatic charge patchiness and multipolarity on macromolecular interactions by means of implicit-solvent, explicit-ion Langevin dynamics simulations employing the Gromacs software. We consider well-defined zero-, one-, and two-patched spherical globules each of the same net charge and (nanometer) size which are composed of discrete atoms. The studied mono- and multipole moments of the CPPMs are comparable to those of globular proteins with similar size. We first characterize ion distributions and electrostatic potentials around a single CPPM. Although angle-resolved radial distribution functions reveal the expected local accumulation and depletion of counter- and co-ions around the patches, respectively, the orientation-averaged electrostatic potential shows only a small variation among the various CPPMs due to space charge cancellations. Furthermore, we study the orientation-averaged potential of mean force (PMF), the number of accumulated ions on the patches, as well as the CPPM orientations along the center-to-center distance of a pair of CPPMs. We compare the PMFs to the classical Derjaguin-Verwey-Landau-Overbeek theory and previously introduced orientation-averaged Debye-Hückel pair potentials including dipolar interactions. Our simulations confirm the adequacy of the theories in their respective regimes of validity, while low salt concentrations and large multipolar interactions remain a challenge for tractable theoretical descriptions.

  5. Charged patchy particle models in explicit salt: Ion distributions, electrostatic potentials, and effective interactions

    Energy Technology Data Exchange (ETDEWEB)

    Yigit, Cemil; Dzubiella, Joachim, E-mail: joachim.dzubiella@helmholtz-berlin.de [Soft Matter and Functional Materials, Helmholtz-Zentrum Berlin, 14109 Berlin (Germany); Helmholtz Virtual Institute “Multifunctional Biomaterials for Medicine,” 14513 Teltow (Germany); Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Heyda, Jan [Department of Physical Chemistry, University of Chemistry and Technology, Prague, 166 28 Praha 6 (Czech Republic)

    2015-08-14

    We introduce a set of charged patchy particle models (CPPMs) in order to systematically study the influence of electrostatic charge patchiness and multipolarity on macromolecular interactions by means of implicit-solvent, explicit-ion Langevin dynamics simulations employing the Gromacs software. We consider well-defined zero-, one-, and two-patched spherical globules each of the same net charge and (nanometer) size which are composed of discrete atoms. The studied mono- and multipole moments of the CPPMs are comparable to those of globular proteins with similar size. We first characterize ion distributions and electrostatic potentials around a single CPPM. Although angle-resolved radial distribution functions reveal the expected local accumulation and depletion of counter- and co-ions around the patches, respectively, the orientation-averaged electrostatic potential shows only a small variation among the various CPPMs due to space charge cancellations. Furthermore, we study the orientation-averaged potential of mean force (PMF), the number of accumulated ions on the patches, as well as the CPPM orientations along the center-to-center distance of a pair of CPPMs. We compare the PMFs to the classical Derjaguin-Verwey-Landau-Overbeek theory and previously introduced orientation-averaged Debye-Hückel pair potentials including dipolar interactions. Our simulations confirm the adequacy of the theories in their respective regimes of validity, while low salt concentrations and large multipolar interactions remain a challenge for tractable theoretical descriptions.

  6. Effective Electrostatic Interactions Between Two Overall Neutral Surfaces with Quenched Charge Heterogeneity Over Atomic Length Scale

    Science.gov (United States)

    Zhou, S.

    2017-12-01

    Using Monte Carlo results as a reference, a classical density functional theory ( CDFT) is shown to reliably predict the forces between two heterogeneously charged surfaces immersed in an electrolyte solution, whereas the Poisson-Boltzmann ( PB) theory is demonstrated to deteriorate obviously for the same system even if the system parameters considered fall within the validity range of the PB theory in the homogeneously charged surfaces. By applying the tested CDFT, we study the effective electrostatic potential of mean force ( EPMF) between two face-face planar and hard surfaces of zero net charge on which positive and negative charges are separated and considered to present as discontinuous spots on the inside edges of the two surfaces. Main conclusions are summarized as follows: (i) strength of the EPMF in the surface charge separation case is very sensitively and positively correlated with the surface charge separation level and valency of the salt ion. Particularly, the charge separation level and the salt ion valency have a synergistic effect, which makes high limit of the EPMF strength in the surface charge separation case significantly go beyond that of the ideal homogeneously charged surface counterpart at average surface charge density similar to the average surface positive or negative charge density in the charge separation case. (ii) The surface charge distribution patterns mainly influence sign of the EPMF: symmetrical and asymmetrical patterns induce repulsive and attractive (at small distances) EPMF, respectively; but with low valency salt ions and low charge separation level the opposite may be the case. With simultaneous presence of both higher valency cation and anion, the EPMF can be repulsive at intermediate distances for asymmetrical patterns. (iii) Salt ion size has a significant impact, which makes the EPMF tend to become more and more repulsive with the ion diameter regardless of the surface charge distribution patterns and the valency of

  7. Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioning

    Energy Technology Data Exchange (ETDEWEB)

    Ivanov, Maxim V.; Talipov, Marat R.; Timerghazin, Qadir K., E-mail: qadir.timerghazin@marquette.edu [Department of Chemistry, Marquette University, Milwaukee, Wisconsin 53201-1881 (United States)

    2015-10-07

    Atom-centered point charge (PC) model of the molecular electrostatics—a major workhorse of the atomistic biomolecular simulations—is usually parameterized by least-squares (LS) fitting of the point charge values to a reference electrostatic potential, a procedure that suffers from numerical instabilities due to the ill-conditioned nature of the LS problem. To reveal the origins of this ill-conditioning, we start with a general treatment of the point charge fitting problem as an inverse problem and construct an analytical model with the point charges spherically arranged according to Lebedev quadrature which is naturally suited for the inverse electrostatic problem. This analytical model is contrasted to the atom-centered point-charge model that can be viewed as an irregular quadrature poorly suited for the problem. This analysis shows that the numerical problems of the point charge fitting are due to the decay of the curvatures corresponding to the eigenvectors of LS sum Hessian matrix. In part, this ill-conditioning is intrinsic to the problem and is related to decreasing electrostatic contribution of the higher multipole moments, that are, in the case of Lebedev grid model, directly associated with the Hessian eigenvectors. For the atom-centered model, this association breaks down beyond the first few eigenvectors related to the high-curvature monopole and dipole terms; this leads to even wider spread-out of the Hessian curvature values. Using these insights, it is possible to alleviate the ill-conditioning of the LS point-charge fitting without introducing external restraints and/or constraints. Also, as the analytical Lebedev grid PC model proposed here can reproduce multipole moments up to a given rank, it may provide a promising alternative to including explicit multipole terms in a force field.

  8. Tribo-charging properties of waste plastic granules in process of tribo-electrostatic separation.

    Science.gov (United States)

    Li, Jia; Wu, Guiqing; Xu, Zhenming

    2015-01-01

    Plastic products can be found everywhere in people's daily life. With the consistent growth of plastic consumption, more and more plastic waste is generated. Considering the stable chemical and physics characteristics of plastic, regular waste management methods are not suitable for recycling economic strategy of each government, which has become a serious environmental problem. Recycling plastic waste is considered to be the best way to treat it, because it cannot only deduce the waste but also save the energy to produce new virgin plastic. Tribo-electrostatic separation is strongly recommended for plastic separation as it can preserve the original properties of plastic and has little additional pollution. In this study, plastic granules are generated by crushing plastic waste in waste electric and electronic equipment. The tribo-charging properties of plastic waste were studied by vibrating tribo-charging and cyclone tribo-charging. The triboelectric series obtained by vibrating was: (-)-PE-PS-PC-PVC-ABS-PP-(+), while the triboelectric series obtained by cyclone was (-)-PE-PS-PC-PVC-ABS-PP-(+). Further, the cyclone charging was more effective and stable than vibrating charging. The impact factors experiments showed that small particle size was better changed than large ones and were more suitable recycled by tribo-electrostatic separation. High relative humidity was identified as impede charging effect. The results of this study will help defining the operating parameters of subsequent separator. Copyright © 2014 Elsevier Ltd. All rights reserved.

  9. Experimental Exploration of Electrostatic Charge on Particle Pair Relative Velocity in Homogeneous and Isotropic Turbulence

    Science.gov (United States)

    Hammond, Adam; Dou, Zhongwang; Tripathi, Anjan; Liang, Zach; Meng, Hui

    2015-11-01

    Study of droplet collision and cloud formation should consider the effects of both turbulence and electrostatic charge on particle dynamics. We present the first experimental observation of radial relative velocity (RV) of charged particles in homogeneous and isotropic turbulence (HIT). Charges on particles were generated through triboelectric effect between the inner wall of the chamber and the particles. To measure charge distribution, a particle-laden head-on impinging flow mimicking our HIT chamber conditions was built and holographic particle tracking was applied to quantify particle charges by measuring their displacements in an electric field. Particles were observed to have opposite charges. Next, in our HIT chamber, we measured particle RV by a novel 4-frame particle tracking velocimetry technique with and without charges on particles, wherein charges were neutralized by coating the interior of the HIT chamber with conductive carbon paint. We compared RV under the same turbulence conditions between charged particles and neutral particles and observed that when particles were oppositely charged, their mean inward RV increased at small separation distances. This result is consistent with recent theory and simulations (Lu and Shaw, Physics of Fluids, 2015). This work was supported by the National Science Foundation through a Collaborative Research Grant CBET-0967407.

  10. Generation of electron vortex beams using line charges via the electrostatic Aharonov-Bohm effect.

    Science.gov (United States)

    Pozzi, Giulio; Lu, Peng-Han; Tavabi, Amir H; Duchamp, Martial; Dunin-Borkowski, Rafal E

    2017-10-01

    It has recently been shown that an electron vortex beam can be generated by the magnetic field surrounding the tip of a dipole-like magnet. This approach can be described using the magnetic Aharonov-Bohm effect and is associated with the fact that the end of a long magnetic rod can be treated approximately as a magnetic monopole. However, it is difficult to vary the magnetisation of the rod in such a setup and the electron beam vorticity is fixed for a given tip shape. Here, we show how a similar behaviour, which has the advantage of easy tuneability, can be achieved by making use of the electrostatic Aharonov-Bohm effect associated with an electrostatic dipole line. We highlight the analogies between the magnetic and electrostatic cases and use simulations of in-focus, Fresnel and Fraunhofer images to show that a device based on two parallel, oppositely charged lines that each have a constant charge density can be used to generate a tuneable electron vortex beam. We assess the effect of using a dipole line that has a finite length and show that if the charge densities on the two lines are different then an additional biprism-like effect is superimposed on the electron-optical phase. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

  11. Electrostatic charging and motion of dust near the surface of an asteroid

    Science.gov (United States)

    Borisov, N. D.; Zakharov, A. V.

    2014-01-01

    The electrostatic charging and motion of dust near the surface of an asteroid is analyzed. It is shown that, despite the weak gravity, strong electric fields are needed to lift charged dust particles from the surface. The mechanism of generation of such fields, and the results of calculations of the motion of particles with various diameters in the electric fields near the dark side of the asteroid surface, is discussed. It is noted that the dust particle motion should be the most pronounced, as happens in the case of the Moon, in a certain neighborhood of the terminator.

  12. On contribution of known atomic partial charges of protein backbone in electrostatic potential density maps.

    Science.gov (United States)

    Wang, Jimin

    2017-06-01

    Partial charges of atoms in a molecule and electrostatic potential (ESP) density for that molecule are known to bear a strong correlation. In order to generate a set of point-field force field parameters for molecular dynamics, Kollman and coworkers have extracted atomic partial charges for each of all 20 amino acids using restrained partial charge-fitting procedures from theoretical ESP density obtained from condensed-state quantum mechanics. The magnitude of atomic partial charges for neutral peptide backbone they have obtained is similar to that of partial atomic charges for ionized carboxylate side chain atoms. In this study, the effect of these known atomic partial charges on ESP is examined using computer simulations and compared with the experimental ESP density recently obtained for proteins using electron microscopy. It is found that the observed ESP density maps are most consistent with the simulations that include atomic partial charges of protein backbone. Therefore, atomic partial charges are integral part of atomic properties in protein molecules and should be included in model refinement. © 2017 The Protein Society.

  13. Effect of relative humidity on the electrostatic charge properties of dry powder inhaler aerosols.

    Science.gov (United States)

    Kwok, Philip Chi Lip; Chan, Hak-Kim

    2008-02-01

    At present, there is no published data examining the effect of relative humidity on the electrostatic charges of dry powder inhaler aerosols. The charging behaviour of two commercial products, Pulmicort and Bricanyl Turbuhalers, were investigated using an electrical low pressure impactor (ELPI). ELPI was successfully modified to disperse the aerosols at 60 l/min. Four doses from each new inhaler were sampled at 15, 40, 65, and 90% RH. Particles deposited on the impactor stages according to their aerodynamic diameters and their charges were measured simultaneously by the electrometers. The drug in each size fraction was quantified using HPLC. Both products generated bipolar charges. The charging behaviour of the two types of inhaler showed different humidity dependence although the mass output was not significantly affected. The absolute specific charge of budesonide fine particles from Pulmicort was the lowest at 40% RH but increased at lower and higher RHs. In contrast, the terbutaline sulfate fine particles from Bricanyl followed the expected trend of charge reduction with increasing RH. The distinct trends of charging of aerosols from Pulmicort and Bricanyl Turbuhalers was explained by differences in hygroscopicity and other physicochemical factors between the two drugs.

  14. Effect of electrostatic charge in plastic spacers on the lung delivery of HFA-salbutamol in children

    DEFF Research Database (Denmark)

    Anhøj, J; Bisgaard, H; Lipworth, B J

    1999-01-01

    AIMS: The effect of the electrostatic charge in plastic spacers in vivo on drug delivery to the lung of hydrofluoroalkane (HFA) salbutamol spray was studied in children. METHODS: Five children, aged 7-12 years, were included in a 3-way crossover randomised single-blind trial. Salbutamol HFA spray...... delivered a significantly (Pcharge in plastic spacers reduces lung dose in children by more than two-fold. This is clinically significant and the use of potentially electrostatically charged...

  15. Effect of electrostatic charge in plastic spacers on the lung delivery of HFA-salbutamol in children

    DEFF Research Database (Denmark)

    Anhøj, J; Bisgaard, H; Lipworth, B J

    1999-01-01

    AIMS: The effect of the electrostatic charge in plastic spacers in vivo on drug delivery to the lung of hydrofluoroalkane (HFA) salbutamol spray was studied in children. METHODS: Five children, aged 7-12 years, were included in a 3-way crossover randomised single-blind trial. Salbutamol HFA spray...... delivered a significantly (Pchildren by more than two-fold. This is clinically significant and the use of potentially electrostatically charged...

  16. Polarizable charge equilibration model for predicting accurate electrostatic interactions in molecules and solids

    Science.gov (United States)

    Naserifar, Saber; Brooks, Daniel J.; Goddard, William A.; Cvicek, Vaclav

    2017-03-01

    Electrostatic interactions play a critical role in determining the properties, structures, and dynamics of chemical, biochemical, and material systems. These interactions are described well at the level of quantum mechanics (QM) but not so well for the various models used in force field simulations of these systems. We propose and validate a new general methodology, denoted PQEq, to predict rapidly and dynamically the atomic charges and polarization underlying the electrostatic interactions. Here the polarization is described using an atomic sized Gaussian shaped electron density that can polarize away from the core in response to internal and external electric fields, while at the same time adjusting the charge on each core (described as a Gaussian function) so as to achieve a constant chemical potential across all atoms of the system. The parameters for PQEq are derived from experimental atomic properties of all elements up to Nobelium (atomic no. = 102). We validate PQEq by comparing to QM interaction energy as probe dipoles are brought along various directions up to 30 molecules containing H, C, N, O, F, Si, P, S, and Cl atoms. We find that PQEq predicts interaction energies in excellent agreement with QM, much better than other common charge models such as obtained from QM using Mulliken or ESP charges and those from standard force fields (OPLS and AMBER). Since PQEq increases the accuracy of electrostatic interactions and the response to external electric fields, we expect that PQEq will be useful for a large range of applications including ligand docking to proteins, catalytic reactions, electrocatalysis, ferroelectrics, and growth of ceramics and films, where it could be incorporated into standard force fields as OPLS, AMBER, CHARMM, Dreiding, ReaxFF, and UFF.

  17. Effect of the size of charged spherical macroparticles on their electrostatic interaction in an equilibrium plasma

    Energy Technology Data Exchange (ETDEWEB)

    Filippov, A. V., E-mail: fav@triniti.ru; Derbenev, I. N. [State Research Center of the Russian Federation, Troitsk Institute for Innovation and Fusion Research (Russian Federation)

    2016-12-15

    The effect of the size of two charged spherical macroparticles on their electrostatic interaction in an equilibrium plasma is analyzed within the linearized Poisson–Botzmann model. It is established that, under the interaction of two charged dielectric macroparticles in an equilibrium plasma, the forces acting on each particle turn out to be generally unequal. The forces become equal only in the case of conducting macroparticles or in the case of dielectric macroparticles of the same size and charge. They also turn out to be equal when the surface potentials of the macroparticles remain constant under the variation of interparticle distances. Formulas are proposed that allow one to calculate the interaction force with a high degree of accuracy under the condition that the radii of macroparticles are much less than the screening length, which is usually satisfied in experiments with dusty plasmas.

  18. Electrostatic Potential-Based Method of Balancing Charge Transfer Across ONIOM QM:QM Boundaries.

    Science.gov (United States)

    Jovan Jose, K V; Raghavachari, Krishnan

    2014-10-14

    The inability to describe charge redistribution effects between different regions in a large molecule can be a source of error in an ONIOM hybrid calculation. We propose a new and an inexpensive method for describing such charge-transfer effects and for improving reaction energies obtained with the ONIOM method. Our method is based on matching the electrostatic potential (ESP) between the model system and the real system. The ESP difference arising due to charge redistribution is overcome by placing an optimum one electron potential at a defined buffer region. In our current implementation, the link atom nuclear charge is optimized iteratively to produce a model low ESP distribution equal to that in the real low calculation. These optimum charges are relatively small in magnitude and corroborate physical intuition. This new ESP-ONIOM-CT method is independent of any arbitrary definition of charges, is defined on the basis of a physical observable, and is less basis set dependent than previous approaches. The method is easily extended for studying reactions involving multiple link atoms. We present a thorough benchmark of this method on test sets consisting of one- and two-link atom reactions. Using reaction energies of four different test sets each with four different combinations of high:low levels of theory, the accuracy of ESP-ONIOM-CT improved by 40-60% over the ONIOM method.

  19. Strong coupling electrostatics for randomly charged surfaces: antifragility and effective interactions.

    Science.gov (United States)

    Ghodrat, Malihe; Naji, Ali; Komaie-Moghaddam, Haniyeh; Podgornik, Rudolf

    2015-05-07

    We study the effective interaction mediated by strongly coupled Coulomb fluids between dielectric surfaces carrying quenched, random monopolar charges with equal mean and variance, both when the Coulomb fluid consists only of mobile multivalent counterions and when it consists of an asymmetric ionic mixture containing multivalent and monovalent (salt) ions in equilibrium with an aqueous bulk reservoir. We analyze the consequences that follow from the interplay between surface charge disorder, dielectric and salt image effects, and the strong electrostatic coupling that results from multivalent counterions on the distribution of these ions and the effective interaction pressure they mediate between the surfaces. In a dielectrically homogeneous system, we show that the multivalent counterions are attracted towards the surfaces with a singular, disorder-induced potential that diverges logarithmically on approach to the surfaces, creating a singular but integrable counterion density profile that exhibits an algebraic divergence at the surfaces with an exponent that depends on the surface charge (disorder) variance. This effect drives the system towards a state of lower thermal 'disorder', one that can be described by a renormalized temperature, exhibiting thus a remarkable antifragility. In the presence of an interfacial dielectric discontinuity, the singular behavior of counterion density at the surfaces is removed but multivalent counterions are still accumulated much more strongly close to randomly charged surfaces as compared with uniformly charged ones. The interaction pressure acting on the surfaces displays in general a highly non-monotonic behavior as a function of the inter-surface separation with a prominent regime of attraction at small to intermediate separations. This attraction is caused directly by the combined effects from charge disorder and strong coupling electrostatics of multivalent counterions, which dominate the surface-surface repulsion due to

  20. Electrostatic Screening and Charge Correlation Effects in Micellization of Ionic Surfactants

    KAUST Repository

    Jusufi, Arben

    2009-05-07

    We have used atomistic simulations to study the role of electrostatic screening and charge correlation effects in self-assembly processes of ionic surfactants into micelles. Specifically, we employed grand canonical Monte Carlo simulations to investigate the critical micelle concentration (cmc), aggregation number, and micellar shape in the presence of explicit sodium chloride (NaCl). The two systems investigated are cationic dodecyltrimethylammonium chloride (DTAC) and anionic sodium dodecyl sulfate (SDS) surfactants. Our explicit-salt results, obtained from a previously developed potential model with no further adjustment of its parameters, are in good agreement with experimental data for structural and thermodynamic micellar properties. We illustrate the importance of ion correlation effects by comparing these results with a Yukawa-type surfactant model that incorporates electrostatic screening implicitly. While the effect of salt on the cmc is well-reproduced even with the implicit Yukawa model, the aggregate size predictions deviate significantly from experimental observations at low salt concentrations. We attribute this discrepancy to the neglect of ion correlations in the implicit-salt model. At higher salt concentrations, we find reasonable agreement of the Yukawa model with experimental data. The crossover from low to high salt concentrations is reached when the electrostatic screening length becomes comparable to the headgroup size. © 2009 American Chemical Society.

  1. Electronic coupling calculations with transition charges, dipoles, and quadrupoles derived from electrostatic potential fitting

    Energy Technology Data Exchange (ETDEWEB)

    Fujimoto, Kazuhiro J., E-mail: fujimoto@ruby.kobe-u.ac.jp [Department of Computational Science, Graduate School of System Informatics, Kobe University, 1-1, Rokkodai, Nada, Kobe 657-8501 (Japan)

    2014-12-07

    A transition charge, dipole, and quadrupole from electrostatic potential (TrESP-CDQ) method for electronic coupling calculations is proposed. The TrESP method is based on the classical description of electronic Coulomb interaction between transition densities for individual molecules. In the original TrESP method, only the transition charge interactions were considered as the electronic coupling. In the present study, the TrESP method is extended to include the contributions from the transition dipoles and quadrupoles as well as the transition charges. Hence, the self-consistent transition density is employed in the ESP fitting procedure. To check the accuracy of the present approach, several test calculations are performed to a helium dimer, a methane dimer, and an ethylene dimer. As a result, the TrESP-CDQ method gives a much improved description of the electronic coupling, compared with the original TrESP method. The calculated results also show that the self-consistent treatment to the transition densities contributes significantly to the accuracy of the electronic coupling calculations. Based on the successful description of the electronic coupling, the contributions to the electronic coupling are also analyzed. This analysis clearly shows a negligible contribution of the transition charge interaction to the electronic coupling. Hence, the distribution of the transition density is found to strongly influence the magnitudes of the transition charges, dipoles, and quadrupoles. The present approach is useful for analyzing and understanding the mechanism of excitation-energy transfer.

  2. Electrostatically Embedded Many-Body Expansion for Neutral and Charged Metalloenzyme Model Systems.

    Science.gov (United States)

    Kurbanov, Elbek K; Leverentz, Hannah R; Truhlar, Donald G; Amin, Elizabeth A

    2012-01-10

    The electrostatically embedded many-body (EE-MB) method has proven accurate for calculating cohesive and conformational energies in clusters, and it has recently been extended to obtain bond dissociation energies for metal-ligand bonds in positively charged inorganic coordination complexes. In the present paper, we present four key guidelines that maximize the accuracy and efficiency of EE-MB calculations for metal centers. Then, following these guidelines, we show that the EE-MB method can also perform well for bond dissociation energies in a variety of neutral and negatively charged inorganic coordination systems representing metalloenzyme active sites, including a model of the catalytic site of the zinc-bearing anthrax toxin lethal factor, a popular target for drug development. In particular, we find that the electrostatically embedded three-body (EE-3B) method is able to reproduce conventionally calculated bond-breaking energies in a series of pentacoordinate and hexacoordinate zinc-containing systems with an average absolute error (averaged over 25 cases) of only 0.98 kcal/mol.

  3. Electrostatic protein immobilization using charged polyacrylamide gels and cationic detergent microfluidic Western blotting.

    Science.gov (United States)

    Kim, Dohyun; Karns, Kelly; Tia, Samuel Q; He, Mei; Herr, Amy E

    2012-03-06

    We report a novel protein immobilization matrix for fully integrated microfluidic Western blotting (WB). The electrostatic immobilization gel (EIG) enables immobilization of all proteins sized using cetyl trimethylammonium bromide polyacrylamide gel electrophoresis (CTAB-PAGE), for subsequent electrophoretic probing with detection affinity reagents (e.g., labeled antibodies). The "pan-analyte" capture strategy introduced here uses polyacrylamide gel grafted with concentrated point charges (zwitterionic macromolecules), in contrast to existing microfluidic WB strategies that rely on a sandwich immunoassay format for analyte immobilization and detection. Sandwich approaches limit analyte immobilization to capture of only a priori known targets. A charge interaction mechanism study supports the hypothesis that electrostatic interaction plays a major role in analyte immobilization on the EIG. We note that protein capture efficiency depends on both the concentration of copolymerized charges and ionic strength of the gel buffer. We demonstrate pan-analyte immobilization of sized CTAB-laden model proteins (protein G, ovalbumin, bovine serum albumin, β-galactosidase, lactoferrin) on the EIG with initial capture efficiencies ranging from 21 to 100%. Target proteins fixed on the EIG (protein G, lactoferrin) are detected using antibody probes with signal-to-noise ratios of 34 to 275. The approach advances protein immunoblotting performance through 200× reduction on sample consumption, 12× reduction in assay duration, and automated assay operation, compared to slab-gel WB. Using the microfluidic WB assay, assessment of lactoferrin in human tear fluid is demonstrated with a goal of advancing toward nonbiopsy-based diagnosis of Sjögren's Syndrome, an autoimmune disease.

  4. Topography, Wettability, and Electrostatic Charge Consist Major Surface Properties of Intraocular Lenses.

    Science.gov (United States)

    Yang, Na; Zhang, Dong-Dong; Li, Xue-Dong; Lu, Yuan-Yuan; Qiu, Xiao-Hui; Zhang, Jin-Song; Kong, Jun

    2017-02-01

    To quantify potential relevant factors that affect the biocompatibility and functionality of intraocular lenses (IOLs) by analyzing the surface properties of various IOL materials. Eleven IOL models with the same dioptric power made by different manufacturers were studied. The IOLs were made of poly-methyl methacrylate (PMMA), hydrophobic acrylate, hydrophilic acrylate, and silicone. The IOL surface topography was evaluated using atomic force microscopy (AFM). Surface potential was measured by electric force microscopy (EFM). Surface wettability was assessed with the water contact angle using the sessile drop method. The PMMA IOLs had statistically significant surface irregularities with the highest surface roughness values while the silicone and hydrophilic acrylic IOLs had the lowest values. Surface potentials on IOLs revealed that all IOL models made of PMMA had positive charge. The hydrophobic acrylic IOL had a significantly higher positive charge (6.2v ± 0.1v), while the hydrophobic acrylic with blue blocker exhibited negative charge. Negative charge was also observed on hydrophilic acrylic IOLs (-72mv ± 5mv) and silicone IOLs (-5.06v ± 0.02v). Contact angle values of PMMA IOLs ranged from 49° to 64°. Heparin modification resulted in significant reduction of the contact angle value. IOL models made of hydrophobic acrylate had contact angle values between 78° and 89°. The silicone IOL appeared to be significantly hydrophobic with the highest mean value of 107°. The variance of the parameters of surface roughness, contact angle, and electrostatic charge on the surfaces of PMMA, hydrophobic acrylic, hydrophilic acrylic, and silicone IOLs is useful to the interpretation of the differences in clinical behaviors of these materials. The negative surface charge of silicone and hydrophilic IOLs might account for the occurrence of IOL calcification.

  5. Impact of electrostatics on the chemodynamics of highly charged metal-polymer nanoparticle complexes.

    Science.gov (United States)

    Duval, Jérôme F L; Farinha, José Paulo S; Pinheiro, José P

    2013-11-12

    In this work, the impact of electrostatics on the stability constant, the rate of association/dissociation, and the lability of complexes formed between Cd(II), Pb(II), and carboxyl-modified polymer nanoparticles (also known as latex particles) of radius ∼ 50 nm is systematically investigated via electroanalytical measurements over a wide range of pHs and NaNO3 electrolyte concentrations. The corresponding interfacial structure and key electrostatic properties of the particles are independently derived from their electrokinetic response, successfully interpreted using soft particle electrohydrodynamic formalism, and complemented by Förster resonance energy transfer (FRET) analysis. The results underpin the presence of an ∼0.7-1 nm thick permeable and highly charged shell layer at the surface of the polymer nanoparticles. Their electrophoretic mobility further exhibits a minimum versus NaNO3 concentration due to strong polarization of the electric double layer. Integrating these structural and electrostatic particle features with recent theory on chemodynamics of particulate metal complexes yields a remarkable recovery of the measured increase in complex stability with increasing pH and/or decreasing solution salinity. In the case of the strongly binding Pb(II), the discrepancy at pH > 5.5 is unambiguously assigned to the formation of multidendate complexes with carboxylate groups located in the particle shell. With increasing pH and/or decreasing electrolyte concentration, the theory further predicts a kinetically controlled formation of metal complexes and a dramatic loss of their lability (especially for lead) on the time-scale of diffusion toward a macroscopic reactive electrode surface. These theoretical findings are again shown to be in agreement with experimental evidence.

  6. Kinetics of charged particles in a high-voltage gas discharge in a nonuniform electrostatic field

    Energy Technology Data Exchange (ETDEWEB)

    Kolpakov, V. A., E-mail: kolpakov683@gmail.com; Krichevskii, S. V.; Markushin, M. A. [Korolev Samara National Research University (Russian Federation)

    2017-01-15

    A high-voltage gas discharge is of interest as a possible means of generating directed flows of low-temperature plasma in the off-electrode space distinguished by its original features [1–4]. We propose a model for calculating the trajectories of charges particles in a high-voltage gas discharge in nitrogen at a pressure of 0.15 Torr existing in a nonuniform electrostatic field and the strength of this field. Based on the results of our calculations, we supplement and refine the extensive experimental data concerning the investigation of such a discharge published in [1, 2, 5–8]; good agreement between the theory and experiment has been achieved. The discharge burning is initiated and maintained through bulk electron-impact ionization and ion–electron emission. We have determined the sizes of the cathode surface regions responsible for these processes, including the sizes of the axial zone involved in the discharge generation. The main effect determining the kinetics of charged particles consists in a sharp decrease in the strength of the field under consideration outside the interelectrode space, which allows a free motion of charges with specific energies and trajectories to be generated in it. The simulation results confirm that complex electrode systems that allow directed plasma flows to be generated at a discharge current of hundreds or thousands of milliamperes and a voltage on the electrodes of 0.3–1 kV can be implemented in practice [3, 9, 10].

  7. Electrostatic Vibration Energy Harvester Pre-charged Wirelessly at 2.45 GHz

    Science.gov (United States)

    Saddi, Z.; Takhedmit, H.; Karami, A.; Basset, P.; Cirio, L.

    2016-11-01

    This paper reports the design, fabrication and experiments of an electrostatic vibration harvester (e-VEH), pre-charged wirelessly for the first time by using an electromagnetic waves harvester at 2.4 GHz. The rectenna uses the Cockcroft-Walton voltage doubler rectifier. It is designed and optimized to operate at low power densities and provides high voltage levels: 0.5 V at 0.5 μW/cm2 and 0.8 V at 1 μW/cm2 The e-VEH uses the Bennet doubler as conditioning circuit. Experiments show 23 V voltage across the transducer terminal when the harvester is excited at 25 Hz by 1.5 g of external acceleration. An accumulated energy of 275 μJ and a maximum power of 0.4 μW are available for the load.

  8. Simulation study of the photoemission effects in an electrostatic plasma sheath containing charged nanoparticles

    Science.gov (United States)

    Jalilpour, P.; Foroutan, G.

    2017-06-01

    Numerical simulations of the multi-fluid equations are utilized to investigate the effects of a directed photon flux on the structure of an electrostatic plasma sheath in the presence of nano-sized dust grains. The results revealed that the sheath width decreases with an increase in the photon flux as well as the photoelectric efficiency, and that the effect is prominent at high plasma number densities. With the increase in the incident flux, the absolute dust charge decreases immediately until it changes sign and becomes positive at moderate fluxes and then increases quite slowly. The ion drag is also reduced by the photoemission, while the electric force is enhanced. The net effect is an enhancement of the total force on the dust grains towards the sheath edge, leading to a significantly reduced dust speed and consequently an increased dust number density throughout the sheath.

  9. Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature?

    Science.gov (United States)

    Wang, Changwei; Fu, Yuzhuang; Zhang, Lina; Danovich, David; Shaik, Sason; Mo, Yirong

    2018-04-05

    Recent theoretical studies suggested that hydrogen bonds between ions of like charges are of a covalent nature due to the dominating n D →σ* H-A charge-transfer (CT) interaction. In this work, energy profiles of typical hydrogen (H) and halogen (X) bonding systems formed from ions of like charges are explored using the block-localized wavefunction (BLW) method, which can derive optimal geometries and wave functions with the CT interaction "turned off." The results demonstrate that the kinetic stability, albeit reduced, is maintained for most investigated systems even after the intermolecular CT interaction is quenched. Further energy decomposition analyses based on the BLW method reveal that, despite a net repulsive Coulomb repulsion, a stabilizing component exists due to the polarization effect that plays significant role in the kinetic stability of all systems. Moreover, the fingerprints of the augmented electrostatic interaction due to polarization are apparent in the variation patterns of the electron density. All in all, much like in standard H- and X-bonds, the stability of such bonds between ions of like charges is governed by the competition between the stabilizing electrostatic and charge transfer interactions and the destabilizing deformation energy and Pauli exchange repulsion. While in most cases of "anti-electrostatic" bonds the CT interaction is of a secondary importance, we also find cases where CT is decisive. As such, this work validates the existence of anti-electrostatic H- and X-bonds. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  10. Effect of electrostatic charge in plastic spacers on the lung delivery of HFA-salbutamol in children

    DEFF Research Database (Denmark)

    Anhøj, J; Bisgaard, H; Lipworth, B J

    1999-01-01

    AIMS: The effect of the electrostatic charge in plastic spacers in vivo on drug delivery to the lung of hydrofluoroalkane (HFA) salbutamol spray was studied in children. METHODS: Five children, aged 7-12 years, were included in a 3-way crossover randomised single-blind trial. Salbutamol HFA spray...... salbutamol was measured before and 5, 10, 15 and 20 min after inhalation of four single puffs of 100 microg salbutamol. Cmax and Cav (5-20min) were calculated as a reflection of lung dose. RESULTS: For Cmax: (A) Non-electrostatic Babyhaler 4.3 ng ml(-1) (B) New Babyhaler 1.9 ng ml(-1) (C) New AeroChamber 1...... delivered a significantly (Pchildren by more than two-fold. This is clinically significant and the use of potentially electrostatically charged...

  11. Electrostatically Driven Assembly of Charged Amphiphiles Forming Crystallized Membranes, Vesicles and Nanofiber Arrays

    Science.gov (United States)

    Leung, Cheuk Yui Curtis

    Charged amphiphilic molecules can self-assemble into a large variety of objects including membranes, vesicles and fibers. These micro to nano-scale structures have been drawing increasing attention due to their broad applications, especially in biotechnology and biomedicine. In this dissertation, three self-assembled systems were investigated: +3/-1 self-assembled catanionic membranes, +2/-1 self-assembled catanionic membranes and +1 self-assembled nanofibers. Transmission electron microscopy (TEM) combined with synchrotron small and wide angle x-ray scattering (SAXS and WAXS) were used to characterize the coassembled structures from the mesoscopic to nanometer scale. We designed a system of +3 and -1 ionic amphiphiles that coassemble into crystalline ionic bilayer vesicles with large variety of geometries that resemble polyhedral cellular crystalline shells and archaea wall envelopes. The degree of ionization of the amphiphiles and their intermolecular electrostatic interactions can be controlled by varying pH. The molecular packing of these membranes showed a hexagonal to rectangular-C to hexagonal phase transition with increasing pH, resulting in significant changes to the membrane morphology. A similar mixture of +2 and -1 ionic amphiphiles was also investigated. In addition to varying pH, which controls the headgroup attractions, we also adjust the tail length of the amphiphiles to control the van der Waals interactions between the tails. A 2D phase diagram was developed to show how pH and tail length can be used to control the intermolecular packing within the membranes. Another system of self-assembled nanofiber network formed by positively charged amphiphiles was also studied. These highly charged fibers repel each other and are packed in hexagonal lattice with lattice constant at least eight times of the fiber diameter. The d-spacing and the crystal structure can be controlled by varying the solution concentration and temperature.

  12. An electrostatic nanogenerator based on ZnO/ZnS core/shell electrets with stabilized quasi-permanent charge

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chao; Cai, Liang; Feng, Yajuan; Chen, Lin; Yan, Wensheng, E-mail: ywsh2000@ustc.edu.cn, E-mail: zhsun@ustc.edu.cn; Liu, Qinghua; Yao, Tao; Hu, Fengchun; Pan, Zhiyun; Sun, Zhihu, E-mail: ywsh2000@ustc.edu.cn, E-mail: zhsun@ustc.edu.cn; Wei, Shiqiang [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029 (China)

    2014-06-16

    ZnO-based nanogenerators with excellent performance and convenient functionalization are particularly desirable for self-powered technology, which is however difficult to achieve simultaneously in traditional piezoelectric ZnO nanogenerators. Here, we report a design of electrostatic ZnO nanogenerator by virtue of a type-II ZnO/ZnS core/shell nanostructure electrets, which can turn acoustic waves into electric power with an energy conversion efficiency of 2.2%. The ZnO/ZnS core/shell electrets are charged by ultraviolet irradiation with a long-term stability of the electrostatic charges under ambient condition. The electronic and atomic structure evolution in the charged ZnO/ZnS core/shell electrets are also discussed by detailed experimental and theoretical investigations. This design opens up an alternative path for fabricating robust ZnO-based nanogenerator for future nanotechnology application.

  13. Transparent and Electrically Conductive Carbon Nanotube-Polymer Nanocomposite Materials for Electrostatic Charge Dissipation

    Science.gov (United States)

    Dervishi, E.; Biris, A. S.; Biris, A. R.; Lupu, D.; Trigwell, S.; Miller, D. W.; Schmitt, T.; Buzatu, D. A.; Wilkes, J. G.

    2006-01-01

    In recent years, nanocomposite materials have been extensively studied because of their superior electrical, magnetic, and optical properties and large number of possible applications that range from nano-electronics, specialty coatings, electromagnetic shielding, and drug delivery. The aim of the present work is to study the electrical and optical properties of carbon nanotube(CNT)-polymer nanocomposite materials for electrostatic charge dissipation. Single and multi-wall carbon nanotubes were grown by catalytic chemical vapor deposition (CCVD) on metal/metal oxide catalytic systems using acetylene or other hydrocarbon feedstocks. After the purification process, in which amorphous carbon and non-carbon impurities were removed, the nanotubes were functionalized with carboxylic acid groups in order to achieve a good dispersion in water and various other solvents. The carbon nanostructures were analyzed, both before and after functionalization by several analytical techniques, including microscopy, Raman spectroscopy, and X-Ray photoelectron spectroscopy. Solvent dispersed nanotubes were mixed (1 to 7 wt %) into acrylic polymers by sonication and allowed to dry into 25 micron thick films. The electrical and optical properties of the films were analyzed as a function of the nanotubes' concentration. A reduction in electrical resistivity, up to six orders of magnitude, was measured as the nanotubes' concentration in the polymeric films increased, while optical transparency remained 85 % or higher relative to acrylic films without nanotubes.

  14. Mass transfer within electrostatic precipitators: in-flight adsorption of mercury by charged suspended particulates.

    Science.gov (United States)

    Clack, Herek L

    2006-06-01

    Electrostatic precipitation is the dominant method of particulate control used for coal combustion, and varying degrees of mercury capture and transformation have been reported across ESPs. Nevertheless, the fate of gas-phase mercury within an ESP remains poorly understood. The present analysis focuses on the gas-particle mass transfer that occurs within a charged aerosol in an ESP. As a necessary step in gas-phase mercury adsorption or transformation, gas-particle mass transfer-particularly in configurations other than fixed beds-has received far less attention than studies of adsorption kinetics. Our previous analysis showed that only a small fraction of gas-phase mercury entering an ESP is likelyto be adsorbed by collected particulate matter on the plate electrodes. The present simplified analysis provides insight into gas-particle mass transfer within an ESP under two limiting conditions: laminar and turbulent fluid flows. The analysis reveals that during the process of particulate collection, gas-particle mass transfer can be quite high, easily exceeding the mass transfer to ESP plate electrodes in most cases. Decreasing particle size, increasing particle mass loading, and increasing temperature all result in increased gas-particle mass transfer. The analysis predicts significantly greater gas-particle mass transfer in the laminar limitthan in the turbulent limit; however, the differences become negligible under conditions where other factors, such as total mass of suspended particulates, are the controlling mass transfer parameters. Results are compared to selected pilot- and full-scale sorbent injection data.

  15. The Robin Hood method A novel numerical method for electrostatic problems based on a non-local charge transfer

    Science.gov (United States)

    Lazić, Predrag; Štefančić, Hrvoje; Abraham, Hrvoje

    2006-03-01

    We introduce a novel numerical method, named the Robin Hood method, of solving electrostatic problems. The approach of the method is closest to the boundary element methods, although significant conceptual differences exist with respect to this class of methods. The method achieves equipotentiality of conducting surfaces by iterative non-local charge transfer. For each of the conducting surfaces, non-local charge transfers are performed between surface elements, which differ the most from the targeted equipotentiality of the surface. The method is tested against analytical solutions and its wide range of application is demonstrated. The method has appealing technical characteristics. For the problem with N surface elements, the computational complexity of the method essentially scales with Nα, where α Robin Hood method could prove useful in other classical or even quantum problems. Some future development ideas for possible applications outside electrostatics are addressed.

  16. Partial Charges in Periodic Systems: Improving Electrostatic Potential (ESP) Fitting via Total Dipole Fluctuations and Multiframe Approaches.

    Science.gov (United States)

    Gabrieli, Andrea; Sant, Marco; Demontis, Pierfranco; Suffritti, Giuseppe B

    2015-08-11

    Two major improvements to the state-of-the-art Repeating Electrostatic Potential Extracted Atomic (REPEAT) method, for generating accurate partial charges for molecular simulations of periodic structures, are here developed. The first, D-REPEAT, consists in the simultaneous fit of the electrostatic potential (ESP), together with the total dipole fluctuations (TDF) of the framework. The second, M-REPEAT, allows the fit of multiple ESP configurations at once. When both techniques are fused into one, DM-REPEAT method, the resulting charges become remarkably stable over a large set of fitting regions, giving a robust and physically sound solution to the buried atoms problem. The method capabilities are extensively studied in ZIF-8 framework, and subsequently applied to IRMOF-1 and ITQ-29 crystal structures. To our knowledge, this is the first time that this approach is proposed in the context of periodic systems.

  17. Effects of system net charge and electrostatic truncation on all-atom constant pH molecular dynamics.

    Science.gov (United States)

    Chen, Wei; Shen, Jana K

    2014-10-15

    Constant pH molecular dynamics offers a means to rigorously study the effects of solution pH on dynamical processes. Here, we address two critical questions arising from the most recent developments of the all-atom continuous constant pH molecular dynamics (CpHMD) method: (1) What is the effect of spatial electrostatic truncation on the sampling of protonation states? (2) Is the enforcement of electrical neutrality necessary for constant pH simulations? We first examined how the generalized reaction field and force-shifting schemes modify the electrostatic forces on the titration coordinates. Free energy simulations of model compounds were then carried out to delineate the errors in the deprotonation free energy and salt-bridge stability due to electrostatic truncation and system net charge. Finally, CpHMD titration of a mini-protein HP36 was used to understand the manifestation of the two types of errors in the calculated pK(a) values. The major finding is that enforcing charge neutrality under all pH conditions and at all time via cotitrating ions significantly improves the accuracy of protonation-state sampling. We suggest that such finding is also relevant for simulations with particle mesh Ewald, considering the known artifacts due to charge-compensating background plasma. Copyright © 2014 Wiley Periodicals, Inc.

  18. Effects of system net charge and electrostatic truncation on all-atom constant pH molecular dynamics †

    Science.gov (United States)

    Chen, Wei; Shen, Jana K.

    2014-01-01

    Constant pH molecular dynamics offers a means to rigorously study the effects of solution pH on dynamical processes. Here we address two critical questions arising from the most recent developments of the all-atom continuous constant pH molecular dynamics (CpHMD) method: 1) What is the effect of spatial electrostatic truncation on the sampling of protonation states? 2) Is the enforcement of electrical neutrality necessary for constant pH simulations? We first examined how the generalized reaction field and force shifting schemes modify the electrostatic forces on the titration coordinates. Free energy simulations of model compounds were then carried out to delineate the errors in the deprotonation free energy and salt-bridge stability due to electrostatic truncation and system net charge. Finally, CpHMD titration of a mini-protein HP36 was used to understand the manifestation of the two types of errors in the calculated pK a values. The major finding is that enforcing charge neutrality under all pH conditions and at all time via co-titrating ions significantly improves the accuracy of protonation-state sampling. We suggest that such finding is also relevant for simulations with particle-mesh Ewald, considering the known artifacts due to charge-compensating background plasma. PMID:25142416

  19. Effect of a cylindrical thin-shell of matter on the electrostatic self-force on a charge

    Energy Technology Data Exchange (ETDEWEB)

    Rubin de Celis, Emilio [Universidad de Buenos Aires y IFIBA, Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Buenos Aires (Argentina)

    2016-02-15

    The electrostatic self-force on a point charge in cylindrical thin-shell space-times is interpreted as the sum of a bulk field and a shell field. The bulk part corresponds to a field sourced by the test charge placed in a space-time without the shell. The shell field accounts for the discontinuity of the extrinsic curvature κ{sup p}{sub q}. An equivalent electric problem is stated, in which the effect of the shell of matter on the field is reconstructed with the electric potential produced by a non-gravitating charge distribution of total image charge Q, to interpret the shell field in both the interior and exterior regions of the space-time. The self-force on a point charge q in a locally flat geometry with a cylindrical thin-shell of matter is calculated. The charge is repelled from the shell if κ{sup p}{sub q} = κ < 0 (ordinarymatter) and attracted toward the shell if κ > 0 (exotic matter). The total image charge is zero for exterior problems, while for interior problems Q/q = κr{sub e}, with re the external radius of the shell. The procedure is general and can be applied to interpret self-forces in other space-times with shells, e.g., for locally flat wormholes we found Q{sub -+}{sup wh}/q = -1/(κ{sub wh}r{sub ±}). (orig.)

  20. Development and characterisation of semi-crystalline composite granules: The effect of particle chemistry and the electrostatic charging

    Science.gov (United States)

    Haque, Syed N.; Hussain, Tariq; Chowdhry, Babur Z.; Douroumis, Dennis; Scoutaris, Nikolaos; Nokhodchi, Ali; Maniruzzaman, Mohammed

    2017-12-01

    This study investigated the surface of semi-crystalline composite granules produced via a novel mechano-chemical process and assessed the effect of electrostatic charging. Ibuprofen (IBU), a model drug with low solubility and known associated processing challenges was loaded in composite granules to improve its processibility and dissolution rates. Synthetic amorphous mesoporous magnesium alumina metasilicate (MAS) was co-processed with hydrophilic HPMC polymer in the presence of polyethylene glycol 2000 (PEG) and deionised water. The solid state analyses conducted by scanning electron microscopy (SEM), X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) revealed the existence of semi-crystalline IBU in the complex composite structures. Dynamic vapour sorption (DVS) study showed the water sorption and desorption profiles of the manufactured composite granules as well as the effect of water on the solid-state stability of IBU in various formulations. Advanced surface analysis conducted via energy dispersive X-ray (EDS) revealed homogenous distribution of the drug/excipients on the surface of the granules while atomic force microscopy (AFM) complemented the findings. The electrostatic charge analysis showed variable charge property which is affected by the size of the particles/granules. As expected, the in vitro dissolution study showed about 5 fold increase in the release rates of IBU compared to that of the bulk drug. The mechanochemical processing has been demonstrated as an efficient technique to develop semi-crystalline composite granules with enhanced dissolution rates of water insoluble drugs.

  1. Reducing airborne pathogens, dust and Salmonella transmission in experimental hatching cabinets using an electrostatic space charge system.

    Science.gov (United States)

    Mitchell, B W; Buhr, R J; Berrang, M E; Bailey, J S; Cox, N A

    2002-01-01

    Electrostatic charging of particles in enclosed spaces has been shown to be an effective means of reducing airborne dust. Dust generated during the hatching process has been strongly implicated in Salmonella transmission, which complicates the cleaning and disinfecting processes for hatchers. Following two preliminary trials in which dust reduction was measured, four trials were conducted to evaluate the effectiveness of an electrostatic space charge system (ESCS) on the levels of total aerobic bacteria (TPC), enterobacteriaceae (ENT), and Salmonella within an experimental hatching cabinet. The ESCS was placed in a hatching cabinet that was approximately 50% full of 18-d-old broiler hatching eggs. The ESCS operated continuously to generate a strong negative electrostatic charge throughout the cabinet through hatching, and dust was collected in grounded trays containing water and a degreaser. An adjacent hatching cabinet served as an untreated control. Air samples from hatchers were collected daily, and sample chicks from each hatcher were grown out to 7 d of age for cecal analysis in three of the trials. The ESCS significantly (P < 0.05) reduced TPC and ENT by 85 to 93%. Dust concentration was significantly reduced (P < 0.0001) during the preliminary trials with an average reduction of 93.6%. The number of Salmonella per gram of cecal contents in birds grown to 7 d of age was significantly (P < 0.001) reduced by an average log10 3.4 cfu/g. This ionization technology is relatively inexpensive and could be used to reduce airborne bacteria and dust within the hatching cabinet.

  2. Thermodynamics, electrostatics, and ionic current in nanochannels grafted with pH-responsive end-charged polyelectrolyte brushes.

    Science.gov (United States)

    Chen, Guang; Das, Siddhartha

    2017-03-01

    In this paper, we study the thermodynamics, electrostatics, and an external electric field driven ionic current in a pH-responsive, end-charged polyelectrolyte (PE) brush grafted nanochannel. By employing a mean field theory, we unravel a highly nonintuitive interplay of pH and electrolyte salt concentration in dictating the height of the end-charged PE brush. Larger pH or weak hydrogen ion concentration leads to maximum ionization of the charge-producing group-as a consequence, the resulting the electric double layer (EDL) energy get maximized causing a maximum deviation of the brush height from the value (d0 ) of the uncharged brush. This deviation may result in enhancement or lowering of the brush height as compared to d0 depending on whether the PE end locates lower or higher than h/2 (h is the nanochannel half height) and the salt concentration. Subsequently, we use this combined PE-brush-configuration-EDL-electrostatics framework to compute the ionic current in the nanochannel. We witness that the ionic current for smaller pH is much larger despite the corresponding magnitude of the EDL electrostatic potential being much smaller-this stems from the presence of a much larger concentration of H+ ions at small pH and the fact that H+ ions have very large mobilities. In fact, this ionic current shows a steep variation with pH that can be useful in exploring new designs for applications involving quantification and characterization of ionic current in PE-brush-grafted nanochannels. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Positively charged base surrogate for highly stable "base pairing" through electrostatic and stacking interactions.

    Science.gov (United States)

    Kashida, Hiromu; Ito, Hidehiro; Fujii, Taiga; Hayashi, Takamitsu; Asanuma, Hiroyuki

    2009-07-29

    "Base pairs" of cationic dyes (p-methylstilbazole) were incorporated into oligodeoxyribonucleotides (ODNs). This "base pair" greatly stabilized the duplex through electrostatic and stacking interactions. The melting temperature of modified ODN was higher than those of neutral dyes and native base pairs. Further stabilization of the duplex was observed when the number of cationic dyes increased.

  4. Electrostatics of a Point Charge between Intersecting Planes: Exact Solutions and Method of Images

    Science.gov (United States)

    Mei, W. N.; Holloway, A.

    2005-01-01

    In this work, the authors present a commonly used example in electrostatics that could be solved exactly in a conventional manner, yet expressed in a compact form, and simultaneously work out special cases using the method of images. Then, by plotting the potentials and electric fields obtained from these two methods, the authors demonstrate that…

  5. Evidences of Changes in Surface Electrostatic Charge Distribution during Stabilization of HPV16 Virus-Like Particles.

    Science.gov (United States)

    Vega, Juan F; Vicente-Alique, Ernesto; Núñez-Ramírez, Rafael; Wang, Yang; Martínez-Salazar, Javier

    2016-01-01

    The stabilization of human papillomavirus type 16 virus-like particles has been examined by means of different techniques including dynamic and static light scattering, transmission electron microscopy and electrophoretic mobility. All these techniques provide different and often complementary perspectives about the aggregation process and generation of stabilized virus-like particles after a period of time of 48 hours at a temperature of 298 K. Interestingly, static light scattering results point towards a clear colloidal instability in the initial systems, as suggested by a negative value of the second virial coefficient. This is likely related to small repulsive electrostatic interactions among the particles, and in agreement with relatively small absolute values of the electrophoretic mobility and, hence, of the net surface charges. At this initial stage the small repulsive interactions are not able to compensate binding interactions, which tend to aggregate the particles. As time proceeds, an increase of the size of the particles is accompanied by strong increases, in absolute values, of the electrophoretic mobility and net surface charge, suggesting enhanced repulsive electrostatic interactions and, consequently, a stabilized colloidal system. These results show that electrophoretic mobility is a useful methodology that can be applied to screen the stabilization factors for virus-like particles during vaccine development.

  6. Electrostatic Solvation Energy for Two Oppositely Charged Ions in a Solvated Protein System: Salt Bridges Can Stabilize Proteins

    Science.gov (United States)

    Gong, Haipeng; Freed, Karl F.

    2010-01-01

    Abstract Born-type electrostatic continuum methods have been an indispensable ingredient in a variety of implicit-solvent methods that reduce computational effort by orders of magnitude compared to explicit-solvent MD simulations and thus enable treatment using larger systems and/or longer times. An analysis of the limitations and failures of the Born approaches serves as a guide for fundamental improvements without diminishing the importance of prior works. One of the major limitations of the Born theory is the lack of a liquidlike description of the response of solvent dipoles to the electrostatic field of the solute and the changes therein, a feature contained in the continuum Langevin-Debye (LD) model applied here to investigate how Coulombic interactions depend on the location of charges relative to the protein/water boundary. This physically more realistic LD model is applied to study the stability of salt bridges. When compared head to head using the same (independently measurable) physical parameters (radii, dielectric constants, etc.), the LD model is in good agreement with observations, whereas the Born model is grossly in error. Our calculations also suggest that a salt bridge on the protein's surface can be stabilizing when the charge separation is ≤4 Å. PMID:20141761

  7. Evidences of Changes in Surface Electrostatic Charge Distribution during Stabilization of HPV16 Virus-Like Particles.

    Directory of Open Access Journals (Sweden)

    Juan F Vega

    Full Text Available The stabilization of human papillomavirus type 16 virus-like particles has been examined by means of different techniques including dynamic and static light scattering, transmission electron microscopy and electrophoretic mobility. All these techniques provide different and often complementary perspectives about the aggregation process and generation of stabilized virus-like particles after a period of time of 48 hours at a temperature of 298 K. Interestingly, static light scattering results point towards a clear colloidal instability in the initial systems, as suggested by a negative value of the second virial coefficient. This is likely related to small repulsive electrostatic interactions among the particles, and in agreement with relatively small absolute values of the electrophoretic mobility and, hence, of the net surface charges. At this initial stage the small repulsive interactions are not able to compensate binding interactions, which tend to aggregate the particles. As time proceeds, an increase of the size of the particles is accompanied by strong increases, in absolute values, of the electrophoretic mobility and net surface charge, suggesting enhanced repulsive electrostatic interactions and, consequently, a stabilized colloidal system. These results show that electrophoretic mobility is a useful methodology that can be applied to screen the stabilization factors for virus-like particles during vaccine development.

  8. Influence of grain charge gradients on the dynamics of macroparticles in an electrostatic trap

    Energy Technology Data Exchange (ETDEWEB)

    Vaulina, O. S., E-mail: olga.vaulina@bk.ru [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

    2017-03-15

    An analytical model of anomalous heating of charged dust grains (macroparticles) caused by their stochastic motion in a bounded plasma volume is proposed. Analytical expressions allowing one to describe the pumping (heating) of interacting grains with additional stochastic energy due to grain charge gradients are derived. The analytical results are verified by numerical simulation of the problem. It is shown that spatial variations in the charges of dust grains can lead to their anomalous heating in laboratory plasma.

  9. Impact of interface charge on the electrostatics of field-plate assisted RESURF devices

    NARCIS (Netherlands)

    Boksteen, B.K.; Ferrara, A.; Heringa, A.; Steeneken, P.G.; Hueting, Raymond Josephus Engelbart

    2014-01-01

    A systematic study on the effects of arbitrary parasitic charge profiles, such as trapped or fixed charge, on the 2-D potential distribution in the drain extension of reverse-biased field-plate-assisted reduced surface field (RESURF) devices is presented. Using TCAD device simulations and analytical

  10. Electrostatic Charging of Lunar Dust by UV Photoelectric Emissions and Solar Wind Electrons

    Science.gov (United States)

    Abbas, Mian M.; Tankosic, Dragana; Spann, James f.; LeClair, Andre C.; Dube, Michael J.

    2008-01-01

    The ubiquitous presence of dust in the lunar environment with its high adhesive characteristics has been recognized to be a major safety issue that must be addressed in view of its hazardous effects on robotic and human exploration of the Moon. The reported observations of a horizon glow and streamers at the lunar terminator during the Apollo missions are attributed to the sunlight scattered by the levitated lunar dust. The lunar surface and the dust grains are predominantly charged positively by the incident UV solar radiation on the dayside and negatively by the solar wind electrons on the night-side. The charged dust grains are levitated and transported over long distances by the established electric fields. A quantitative understanding of the lunar dust phenomena requires development of global dust distribution models, based on an accurate knowledge of lunar dust charging properties. Currently available data of lunar dust charging is based on bulk materials, although it is well recognized that measurements on individual dust grains are expected to be substantially different from the bulk measurements. In this paper we present laboratory measurements of charging properties of Apollo 11 & 17 dust grains by UV photoelectric emissions and by electron impact. These measurements indicate substantial differences of both qualitative and quantitative nature between dust charging properties of individual micron/submicron sized dust grains and of bulk materials. In addition, there are no viable theoretical models available as yet for calculation of dust charging properties of individual dust grains for both photoelectric emissions and electron impact. It is thus of paramount importance to conduct comprehensive measurements for charging properties of individual dust grains in order to develop realistic models of dust processes in the lunar atmosphere, and address the hazardous issues of dust on lunar robotic and human missions.

  11. A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.

    Science.gov (United States)

    Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J Andrew

    2015-12-28

    Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson-Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum-Chandler-Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods.

  12. A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson–Boltzmann electrostatics

    Science.gov (United States)

    Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J. Andrew

    2015-01-01

    Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson–Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum–Chandler–Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods. PMID:26723595

  13. Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

    Science.gov (United States)

    Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.; Mundy, Chistopher J.

    2017-10-01

    Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for models of electrolyte solution. Here, we provide definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.

  14. Electrostatic shock waves in a nonthermal dusty plasma with oppositely charged dust

    Science.gov (United States)

    Hossen, M. Mobarak; Nahar, L.; Alam, M. S.; Sultana, S.; Mamun, A. A.

    2017-09-01

    Theoretical and numerical investigations of dust acoustic shock waves (DASHWs) have been carried out in electron-depleted magnetized dusty plasmas (consisting of mobile positively charged as well as negatively charged dust particles, and nonextensive q-distributed ions). The both positively and negatively charged dust kinematic viscosities are taken into account to derive the Burgers equation. It is observed that the viscous force (acting on both polarity charged dust particles) is the dissipitive source and responsible for the formation of DASHWs. It is seen that the electron-depleted magnetized plasma supports both (positive and negative) polarity shock structures. It is also seen that the basic features (i.e., amplitude, width, polarity, phase speed, etc.) of DASHWs are modified by the effects of ion nonextensivity, coefficient of viscosity, oblique angle, negative-to-positive dust mass ratio, ratio of the number of electrons on a negatively charged dust-to-the number of protons on a positively charged dust, and the ratio of the ion number density-to-the negative dust number density. The results of our present investigation may be useful to study the various space and laboratory plasmas, where dissipation due to kinematic viscosity can not be neglected.

  15. Low cost electrostatic vibration energy harvesters based on negatively-charged polypropylene cellular films with a folded structure

    Science.gov (United States)

    Ma, Xingchen; Zhang, Xiaoqing

    2017-08-01

    Low cost electrostatic vibration energy harvesters based on negatively-charged polypropylene cellular films with a folded structure were designed in this study. Strips of such energy harvesters were excited by applying mechanical stress in length direction. A current in a terminating resistor was generated due to the capacitance variation of the samples. For a typical double-periodic folded-structure electrostatic vibration energy harvester sample whose effective length and width were 30 mm and 10 mm, respectively, the generated power across a matching resistor at a resonance frequency of 36 Hz amounts to 641 μW for a seismic mass of 4 g and an acceleration of 1 g (g is the gravity of the Earth). Similar structures which were designed and fabricated in this study were also tested for energy harvesting and high output power in the order of a few hundred microwatt was gained. Following the presentation of a theoretical model allowing for the calculation of the power generated in a load resistance at the resonance frequency of the harvesters, experimental results are shown and compared to theoretical prediction. It turns out that the experiment results accord well with the theoretical predictions.

  16. Hydrogen-Bond Strength of CC and GG Pairs Determined by Steric Repulsion: Electrostatics and Charge Transfer Overruled.

    Science.gov (United States)

    van der Lubbe, Stephanie C C; Fonseca Guerra, Célia

    2017-08-01

    Theoretical and experimental studies have elucidated the bonding mechanism in hydrogen bonds as an electrostatic interaction, which also exhibits considerable stabilization by charge transfer, polarization, and dispersion interactions. Therefore, these components have been used to rationalize the differences in strength of hydrogen-bonded systems. A completely new viewpoint is presented, in which the Pauli (steric) repulsion controls the mechanism of hydrogen bonding. Quantum chemical computations on the mismatched DNA base pairs CC and GG (C=cytosine, G=guanine) show that the enhanced stabilization and shorter distance of GG is determined entirely by the difference in the Pauli repulsion, which is significantly less repulsive for GG than for CC. This is the first time that evidence is presented for the Pauli repulsion as decisive factor in relative hydrogen-bond strengths and lengths. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Visualization of the evolution of charged droplet formation and jet transition in electrostatic atomization

    Energy Technology Data Exchange (ETDEWEB)

    Huo, Yuanping, E-mail: huoyuanping@gmail.com; Wang, Junfeng, E-mail: wangjunfeng@ujs.edu.cn; Zuo, Ziwen; Fan, Yajun [School of Energy and Power Engineering, Jiangsu University, 212013 Zhenjiang (China)

    2015-11-15

    A detailed experimental study on the evolution of charged droplet formation and jet transition from a capillary is reported. By means of high-speed microscopy, special attention has been paid to the dynamics of the liquid thread and satellite droplets in the dripping mode, and a method for calculating the surface charge on the satellite droplet is proposed. Jet transition behavior based on the electric Bond number has been visualized, droplet sizes and velocities are measured to obtain the ejection characteristic of the spray plume, and the charge and hydrodynamic relaxation are linked to give explanations for ejection dynamics with different properties. The results show that the relative length is very sensitive to the hydrodynamic relaxation time. The magnitude of the electric field strength dominates the behavior of coalescence and noncoalescence, with the charge relationship between the satellite droplet and the main droplet being clear for every noncoalescence movement. Ejection mode transitions mainly depend on the magnitude of the electric Bond number, and the meniscus dynamics is determined by the ratio of the charge relaxation time to the hydrodynamic relaxation time.

  18. Modeling Electrostatic Fields Generated by Internal Charging of Materials in Space Radiation Environments

    Science.gov (United States)

    Minow, Joseph I.

    2011-01-01

    Internal charging is a risk to spacecraft in energetic electron environments. DICTAT, NU MIT computational codes are the most widely used engineering tools for evaluating internal charging of insulator materials exposed to these environments. Engineering tools are designed for rapid evaluation of ESD threats, but there is a need for more physics based models for investigating the science of materials interactions with energetic electron environments. Current tools are limited by the physics included in the models and ease of user implementation .... additional development work is needed to improve models.

  19. Real Experiments versus Phet Simulations for Better High-School Students' Understanding of Electrostatic Charging

    Science.gov (United States)

    Ajredini, Fadil; Izairi, Neset; Zajkov, Oliver

    2014-01-01

    This research investigates the influence of computer simulations (virtual experiments) on one hand and real experiments on the other hand on the conceptual understanding of electrical charging. The investigated sample consists of students in the second year (10th grade) of three gymnasiums in Macedonia. There were two experimental groups and one…

  20. Multipolar electrostatics.

    Science.gov (United States)

    Cardamone, Salvatore; Hughes, Timothy J; Popelier, Paul L A

    2014-06-14

    Atomistic simulation of chemical systems is currently limited by the elementary description of electrostatics that atomic point-charges offer. Unfortunately, a model of one point-charge for each atom fails to capture the anisotropic nature of electronic features such as lone pairs or π-systems. Higher order electrostatic terms, such as those offered by a multipole moment expansion, naturally recover these important electronic features. The question remains as to why such a description has not yet been widely adopted by popular molecular mechanics force fields. There are two widely-held misconceptions about the more rigorous formalism of multipolar electrostatics: (1) Accuracy: the implementation of multipole moments, compared to point-charges, offers little to no advantage in terms of an accurate representation of a system's energetics, structure and dynamics. (2) Efficiency: atomistic simulation using multipole moments is computationally prohibitive compared to simulation using point-charges. Whilst the second of these may have found some basis when computational power was a limiting factor, the first has no theoretical grounding. In the current work, we disprove the two statements above and systematically demonstrate that multipole moments are not discredited by either. We hope that this perspective will help in catalysing the transition to more realistic electrostatic modelling, to be adopted by popular molecular simulation software.

  1. Using Atmospheric Pressure Tendency to Optimise Battery Charging in Off-Grid Hybrid Wind-Diesel Systems for Telecoms

    Directory of Open Access Journals (Sweden)

    Stephen Daniels

    2013-06-01

    Full Text Available Off grid telecom base stations in developing nations are powered by diesel generators. They are typically oversized and run at a fraction of their rated load for most of their operating lifetime. Running generators at partial load is inefficient and, over time, physically damages the engine. A hybrid configuration uses a battery bank, which powers the telecoms’ load for a portion of the time. The generator only operates when the battery bank needs to be charged. Adding a wind turbine further reduces the generator run hours and saves fuel. The generator is oblivious to the current wind conditions, which leads to simultaneous generator-wind power production. As the batteries become charged by the generator, the wind turbine controller is forced to dump surplus power as heat through a resistive load. This paper details how the relationship between barometric pressure and wind speed can be used to add intelligence to the battery charger. A Simulink model of the system is developed to test the different battery charging configurations. This paper demonstrates that if the battery charger is aware of upcoming wind conditions, it will provide modest fuel savings and reduce generator run hours in small-scale hybrid energy systems.

  2. Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

    Energy Technology Data Exchange (ETDEWEB)

    Duignan, Timothy T. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Baer, Marcel D. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Schenter, Gregory K. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Mundy, Chistopher J. [Department of Chemical Engineering, University of Washington, Seattle, Washington 98185, USA

    2017-10-28

    Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for coarse grained models of electrolyte solution. Here, we provide rigorous definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation (DFT-MD) and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to highly unphysical values for the solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry (CHA) for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation. We would like to thank Thomas Beck, Shawn Kathmann, Richard Remsing and John Weeks for helpful discussions. Computing resources were generously allocated by PNNL's Institutional Computing program. This research also used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. TTD, GKS, and CJM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MS3 (Materials Synthesis and Simulation Across

  3. Brownian dynamics simulations of electrostatic adsorption and ordering of charged colloidal nanoparticles

    Science.gov (United States)

    Luna-Singh, Jennifer; Barrera, Enrique; Varshney, Vikas; Kelley, John; Vaia, Richard

    2014-03-01

    Self-limiting assembly of nanoparticle (NP) and biomacromolecular arrays promises to revolutionize compliant device fabrication by enabling print-on-demand. Presently, quantitative understanding of the relationship between the array order, nanoparticle size, surface characteristics, and process conditions remain elusive. Previous simulations have shown that tuning particle and surface potentials, screening lengths, and particle concentrations can lead to ordering. However, identifying the experimental conditions to observe these in-plane order-disorder and order-order transitions for NPs remains a challenge. Here in, the absorption of electrostatically stabilized NPs with increasing ratio of particle-particle repulsion to particle-surface attraction via Brownian dynamics simulations is discussed. The orientation correlation function follows the KTHNY theory of phase transition as particle and surface potentials are tuned. Detailed Voronoi analysis reveals movement and defect annihilation during the final stages of adsorption. Identifying the transition between liquid, hexatic, and crystalline NP arrays will provide experimental conditions necessary to create high resolution patterns and smaller devices.

  4. Complex coacervation in charge complementary biopolymers: Electrostatic versus surface patch binding.

    Science.gov (United States)

    Pathak, Jyotsana; Priyadarshini, Eepsita; Rawat, Kamla; Bohidar, H B

    2017-12-01

    In this review, a number of systems are described to demonstrate the effect of polyelectrolyte chain stiffness (persistence length) on the coacervation phenomena, after we briefly review the field. We consider two specific types of complexation/coacervation: in the first type, DNA is used as a fixed substrate binding to flexible polyions such as gelatin A, bovine serum albumin and chitosan (large persistence length polyelectrolyte binding to low persistence length biopolymer), and in the second case, different substrates such as gelatin A, bovine serum albumin, and chitosan were made to bind to a polyion gelatin B (low persistence length substrate binding to comparable persistence length polyion). Polyelectrolyte chain flexibility was found to have remarkable effect on the polyelectrolyte-protein complex coacervation. The competitive interplay of electrostatic versus surface patch binding (SPB) leading to associative interaction followed by complex coacervation between these biopolymers is elucidated. We modelled the SPB interaction in terms of linear combination of attractive and repulsive Coulombic forces with respect to the solution ionic strength. The aforesaid interactions were established via a universal phase diagram, considering the persistence length of polyion as the sole independent variable. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Charge Compensation and Electrostatic Transferability in Three Entropy Stabilized Oxides: Results from Density Functional Theory Calculations

    Science.gov (United States)

    2016-09-06

    an indi - cator of a high crystal quality thin film with a smooth, abrupt hetero-epitaxial interface. A comparison between film and substrate of the...also similar to those used to incorporate lattice strain effects into the prediction of non-oxide MHEA compositions.1,3 The latter two criteria for the...Plotted in Figure 1 are effective cation radii for þ1, þ2, and þ3 for- mal charges as a function of atomic number for the species in the J14 composition

  6. Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH.

    Science.gov (United States)

    Wallace, Jason A; Shen, Jana K

    2012-11-14

    Recent development of constant pH molecular dynamics (CpHMD) methods has offered promise for adding pH-stat in molecular dynamics simulations. However, until now the working pH molecular dynamics (pHMD) implementations are dependent in part or whole on implicit-solvent models. Here we show that proper treatment of long-range electrostatics and maintaining charge neutrality of the system are critical for extending the continuous pHMD framework to the all-atom representation. The former is achieved here by adding forces to titration coordinates due to long-range electrostatics based on the generalized reaction field method, while the latter is made possible by a charge-leveling technique that couples proton titration with simultaneous ionization or neutralization of a co-ion in solution. We test the new method using the pH-replica-exchange CpHMD simulations of a series of aliphatic dicarboxylic acids with varying carbon chain length. The average absolute deviation from the experimental pK(a) values is merely 0.18 units. The results show that accounting for the forces due to extended electrostatics removes the large random noise in propagating titration coordinates, while maintaining charge neutrality of the system improves the accuracy in the calculated electrostatic interaction between ionizable sites. Thus, we believe that the way is paved for realizing pH-controlled all-atom molecular dynamics in the near future.

  7. Nanotribology-based novel characterization techniques for the dielectric charging failure mechanism in electrostatically actuated NEMS/MEMS devices using force-distance curve measurements.

    Science.gov (United States)

    Zaghloul, Usama; Bhushan, Bharat; Papaioannou, George; Coccetti, Fabio; Pons, Patrick; Plana, Robert

    2012-01-01

    The work presents a comprehensive package of novel nanoscale characterization techniques to study dielectric charging in electrostatic nano- and microelectromechanical systems (NEMS and MEMS). The proposed assessment methodologies are based on the force-distance curve (FDC) measurements performed using an atomic force microscope (AFM) to measure, for the first time, the induced surface potential and adhesive force over charged dielectric films. They were employed to study plasma enhanced chemical vapor deposition (PECVD) silicon nitride films for application in electrostatic capacitive RF MEMS switches. Three different techniques were introduced including the application of FDC measurements to study charging in bare SiN(x) films, metal-insulator-metal (MIM) capacitors, and MEMS switches. The results from the three methods were correlated and compared with the published data from other characterization techniques, mainly charge/discharge current transient (C/DCT) and Kelvin probe force microscopy (KPFM). The unique advantages of the proposed FDC-based characterization techniques are twofold. First, they can measure the multiphysics coupling between the dielectric charging phenomenon and tribological issues at the interface between the switch bridge and the dielectric surface. Second, the FDC-based techniques can measure larger levels of induced surface potential over charged dielectric films which results from the high electric field normally used to actuate MEMS switches. Based on the proposed FDC techniques, the influence of several parameters on dielectric charging/discharging processes was investigated: the dielectric film thickness, deposition conditions, substrate, and electrical stress conditions. Copyright © 2011 Elsevier Inc. All rights reserved.

  8. Development of a Cantilever-Type Electrostatic Energy Harvester and Its Charging Characteristics on a Highway Viaduct

    Directory of Open Access Journals (Sweden)

    Hideaki Koga

    2017-09-01

    Full Text Available We have developed a micro-electro-mechanical systems (MEMS electrostatic vibratory power generator with over 100 μ W RMS of (root-mean-square output electric power under 0.03 G RMS (G: the acceleration of gravity accelerations. The device is made of a silicon-on-insulator (SOI wafer and is fabricated by silicon micromachining technology. An electret built-in potential is given to the device by electrothermal polarization in silicon oxide using potassium ions. The force factor, which is defined by a proportional coefficient of the output current with respect to the vibration velocity, is 2.34 × 10 − 4 C/m; this large value allows the developed vibration power generator to have a very high power efficiency of 80.7%. We have also demonstrated a charging experiment by using an environmental acceleration waveform with an average amplitude of about 0.03 G RMS taken at a viaduct of a highway, and we obtained 4.8 mJ of electric energy stored in a 44 μ F capacitor in 90 min.

  9. Interplay of electrostatics and lipid packing determines the binding of charged polymer coated nanoparticles to model membranes.

    Science.gov (United States)

    Biswas, Nupur; Bhattacharya, Rupak; Saha, Arindam; Jana, Nikhil R; Basu, Jaydeep K

    2015-10-07

    Understanding of nanoparticle-membrane interactions is useful for various applications of nanoparticles like drug delivery and imaging. Here we report on the studies of interaction between hydrophilic charged polymer coated semiconductor quantum dot nanoparticles with model lipid membranes. Atomic force microscopy and X-ray reflectivity measurements suggest that cationic nanoparticles bind and penetrate bilayers of zwitterionic lipids. Penetration and binding depend on the extent of lipid packing and result in the disruption of the lipid bilayer accompanied by enhanced lipid diffusion. On the other hand, anionic nanoparticles show minimal membrane binding although, curiously, their interaction leads to reduction in lipid diffusivity. It is suggested that the enhanced binding of cationic QDs at higher lipid packing can be understood in terms of the effective surface potential of the bilayers which is tunable through membrane lipid packing. Our results bring forth the subtle interplay of membrane lipid packing and electrostatics which determine nanoparticle binding and penetration of model membranes with further implications for real cell membranes.

  10. Flexible diphosphine ligands with overall charges of 0, +1, and +2: critical role of the electrostatics in favoring trans over cis coordination.

    Science.gov (United States)

    Canac, Yves; Debono, Nathalie; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi

    2011-11-07

    The influence of the formal electrostatic interaction on the cis/trans coordination mode at a PdCl(2) center is investigated in a family of isostructural flexible diphosphine ligands Ph(2)P-X-C(6)H(4)-Y-PPh(2), where X and Y stand for neutral or cationic N,C-imidazolylene linkers. While the neutral and monocationic diphosphine spontaneously behave as classical cis-chelating ligands, only the dicationic diphosphine, where the electrostatic repulsion between the formal positive charges specifically takes place, is observed to behave as a trans-chelating ligand. The crucial role of electrostatics is analyzed on the basis of (31)P NMR data in solution and X-ray diffraction data in the crystal state. Comparative theoretical studies of the cis- and trans-chelated complexes, including EDA, static (31)P NMR, MESP, and AIM analyses, have been undertaken on the basis of DFT calculations in the gas phase or in the acetonitrile continuum. Whereas the cis-coordination mode is shown to be thermodynamically favored for the neutral ligand, the trans-coordination mode is found to be preferred for the dicationic homologue. The stereochemical preference is thus shown to be parallel to the expected effect of the formal electrostatic interaction. The results open perspectives for control of the cis- and trans-chelating behavior of flexible bidentate ligands by more or less reversible charge transfer at the periphery of the coordination sphere of a metallic center. © 2011 American Chemical Society

  11. On the influence of environment gases, relative humidity and gas purification on dielectric charging/discharging processes in electrostatically driven MEMS/NEMS devices.

    Science.gov (United States)

    Zaghloul, U; Bhushan, B; Pons, P; Papaioannou, G J; Coccetti, F; Plana, R

    2011-01-21

    In this paper, we investigate the impact of environment gases and relative humidity on dielectric charging phenomenon in electrostatically actuated micro- and nano-electromechanical systems (MEMS and NEMS). The research is based on surface potential measurements using Kelvin probe force microscopy (KPFM). Plasma-enhanced chemical vapor deposition (PECVD) silicon nitride films were investigated in view of applications in electrostatic capacitive RF MEMS switches. Charges were injected through the atomic force microscope (AFM) tip, and the induced surface potential was measured using KPFM. Experiments have been performed in air and in nitrogen environments, both under different relative humidity levels ranging from 0.02% to 40%. The impact of oxygen gas and hydrocarbon contaminants has been studied for the first time by using different gas purifiers in both air and nitrogen lines. Voltage pulses with different bias amplitudes have been applied during the charge injection step under all investigated environmental conditions in order to investigate the effect of bias amplitude. The investigation reveals a deeper understanding of charging and discharging processes and could further lead to improved operating environment conditions in order to minimize the dielectric charging. Finally, the nanoscale KPFM results obtained in this study show a good correlation with the device level measurements for capacitive MEMS switches reported in the literature.

  12. The role of positively charged amino acids and electrostatic interactions in the complex of U1A protein and U1 hairpin II RNA.

    Science.gov (United States)

    Law, Michael J; Linde, Michael E; Chambers, Eric J; Oubridge, Chris; Katsamba, Phinikoula S; Nilsson, Lennart; Haworth, Ian S; Laird-Offringa, Ite A

    2006-01-01

    Previous kinetic investigations of the N-terminal RNA recognition motif (RRM) domain of spliceosomal protein U1A, interacting with its RNA target U1 hairpin II, provided experimental evidence for a 'lure and lock' model of binding in which electrostatic interactions first guide the RNA to the protein, and close range interactions then lock the two molecules together. To further investigate the 'lure' step, here we examined the electrostatic roles of two sets of positively charged amino acids in U1A that do not make hydrogen bonds to the RNA: Lys20, Lys22 and Lys23 close to the RNA-binding site, and Arg7, Lys60 and Arg70, located on 'top' of the RRM domain, away from the RNA. Surface plasmon resonance-based kinetic studies, supplemented with salt dependence experiments and molecular dynamics simulation, indicate that Lys20 predominantly plays a role in association, while nearby residues Lys22 and Lys23 appear to be at least as important for complex stability. In contrast, kinetic analyses of residues away from the RNA indicate that they have a minimal effect on association and stability. Thus, well-positioned positively charged residues can be important for both initial complex formation and complex maintenance, illustrating the multiple roles of electrostatic interactions in protein-RNA complexes.

  13. Electrostatic contribution of surface charge residues to the stability of a thermophilic protein: benchmarking experimental and predicted pKa values.

    Directory of Open Access Journals (Sweden)

    Chi-Ho Chan

    Full Text Available Optimization of the surface charges is a promising strategy for increasing thermostability of proteins. Electrostatic contribution of ionizable groups to the protein stability can be estimated from the differences between the pKa values in the folded and unfolded states of a protein. Using this pKa-shift approach, we experimentally measured the electrostatic contribution of all aspartate and glutamate residues to the stability of a thermophilic ribosomal protein L30e from Thermococcus celer. The pKa values in the unfolded state were found to be similar to model compound pKas. The pKa values in both the folded and unfolded states obtained at 298 and 333 K were similar, suggesting that electrostatic contribution of ionizable groups to the protein stability were insensitive to temperature changes. The experimental pKa values for the L30e protein in the folded state were used as a benchmark to test the robustness of pKa prediction by various computational methods such as H++, MCCE, MEAD, pKD, PropKa, and UHBD. Although the predicted pKa values were affected by crystal contacts that may alter the side-chain conformation of surface charged residues, most computational methods performed well, with correlation coefficients between experimental and calculated pKa values ranging from 0.49 to 0.91 (p<0.01. The changes in protein stability derived from the experimental pKa-shift approach correlate well (r = 0.81 with those obtained from stability measurements of charge-to-alanine substituted variants of the L30e protein. Our results demonstrate that the knowledge of the pKa values in the folded state provides sufficient rationale for the redesign of protein surface charges leading to improved protein stability.

  14. The impact of electrostatic interactions on ultrafast charge transfer at Ag 29 nanoclusters–fullerene and CdTe quantum dots–fullerene interfaces

    KAUST Repository

    Ahmed, Ghada H.

    2015-11-09

    A profound understanding of charge transfer (CT) at semiconductor quantum dots (QDs) and nanoclusters (NCs) interfaces is extremely important to optimize the energy conversion efficiency in QDs and NCs-based solar cell devices. Here, we report on the ground- and excited-state interactions at the interface of two different bimolecular non-covalent donor-acceptor (D-A) systems using steady-state and femtosecond transient absorption (fs-TA) spectroscopy with broadband capabilities. We systematically investigate the electrostatic interactions between the positively charged fullerene derivative C60-(N,N dimethylpyrrolidinium iodide) (CF) employed as an efficient molecular acceptor and two different donor molecules: Ag29 nanoclusters (NCs) and CdTe quantum dots (QDs). For comparison purposes, we also monitor the interaction of each donor molecule with the neutral fullerene derivative C60-(malonic acid)n, which has minimal electrostatic interactions. Our steady-state and time-resolved data demonstrate that both QDs and NCs have strong interfacial electrostatic interactions and dramatic fluorescence quenching when the CF derivative is present. In other words, our results reveal that only CF can be in close molecular proximity with the QDs and NCs, allowing ultrafast photoinduced CT to occur. It turned out that the intermolecular distances, electronic coupling and subsequently CT from the excited QDs or NCs to fullerene derivatives can be controlled by the interfacial electrostatic interactions. Our findings highlight some of the key variable components for optimizing CT at QDs and NCs interfaces, which can also be applied to other D-A systems that rely on interfacial CT. © The Royal Society of Chemistry 2016.

  15. Investigation on Electrostatical Breakup of Bio-Oil Droplets

    Directory of Open Access Journals (Sweden)

    John Z. Wen

    2012-10-01

    Full Text Available In electrostatic atomization, the input electrical energy causes breaking up of the droplet surface by utilizing a mutual repulsion of net charges accumulating on that surface. In this work a number of key parameters controlling the bio-oil droplet breakup process are identified and these correlations among the droplet size distribution, specific charges of droplets and externally applied electrical voltages are quantified. Theoretical considerations of the bag or strip breakup mechanism of biodiesel droplets experiencing electrostatic potential are compared to experimental outcomes. The theoretical analysis suggests the droplet breakup process is governed by the Rayleigh instability condition, which reveals the effects of droplets size, specific charge, surface tension force, and droplet velocities. Experiments confirm that the average droplet diameters decrease with increasing specific charges and this decreasing tendency is non-monotonic due to the motion of satellite drops in the non-uniform electrical field. The measured specific charges are found to be smaller than the theoretical values. And the energy transformation from the electrical energy to surface energy, in addition to the energy loss, Taylor instability breakup, non-excess polarization and some system errors, accounts for this discrepancy. The electrostatic force is the dominant factor controlling the mechanism of biodiesel breakup in electrostatic atomization.

  16. Electrostatic assembly of CdTe quantum dots with different charged ligands into TiO{sub 2} porous film for solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Sai, Liman; Kong, Xiang Yang [Shanghai Jiao Tong University, Institute of Materials for Mobile Energy, School of Materials Science and Engineering, Shanghai (China)

    2014-03-15

    We have demonstrated an approach for the electrostatic assembly of CdTe quantum dots (QDs) with different charged ligands as sensitizers, achieving high coverage and good dispersion in TiO{sub 2} porous films. The CdTe QD-sensitized TiO{sub 2} porous films were subjected to thermal annealing in a high vacuum chamber to remove the ligand linker, resulting in the formation of direct heterojunctions between the bare CdTe QDs and TiO{sub 2} for a favorable charge transfer. The as-received CdTe QD-sensitized TiO{sub 2} porous films were employed as photoanodes for quantum dot-sensitized solar cells (QSSCs), and the photocurrent density reached as high as 4.69 mA/cm{sup 2} under a standard illumination condition of simulated AM 1.5G (100 mW/cm{sup 2}). (orig.)

  17. Optimization and limits of electrostatic sorting by bi-polar charge of mineral mixtures in the fine grain size range. Final report. Optimierung und Grenzen der elektrostatischen Sortierung durch bipolare Aufladung von Mineralgemischen im Feinkornbereich. Schlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    1988-01-01

    In this work, the charge distribution in mineral mixtures and the electrostatic sorting according to tribo-charging is examined on R-10 fractions in the particle size range of 50-200 {mu}m. The purpose of the investigations was combinations of pairs from quartz, calcite, heavy spar, river spar and the pairing anthracite/quartz. Separation experiments were also carried out for the quartz/calcite pair in the particle size range of 20-50 {mu}m. After a survey of the literature and the electrical processes in the contact of two materials, some theoretical considerations procede the investigations, which are concerned with the maximum surface charge density on particles, the electrostatic agglomeration and the calculation of particle track curves in an homogeneous electrical field. It is shown that in principle, electrostatic agglomerates can always be separated in an electrical field. (orig.).

  18. An asymmetry in electrostatics

    Science.gov (United States)

    Ganci, Salvatore

    2013-11-01

    This paper outlines a misuse of the electrostatic induction concept. A non-symmetrical behaviour was observed in a charge by the induction of an insulated hollow metallic conductor (the Faraday ice pail experiment). The major consequence of this experiment is a quick demonstration that the Earth must have a net negative charge.

  19. Model for screened, charge-regulated electrostatics of an eye lens protein: Bovine gammaB-crystallin

    Science.gov (United States)

    Wahle, Christopher W.; Martini, K. Michael; Hollenbeck, Dawn M.; Langner, Andreas; Ross, David S.; Hamilton, John F.; Thurston, George M.

    2017-09-01

    We model screened, site-specific charge regulation of the eye lens protein bovine gammaB-crystallin (γ B ) and study the probability distributions of its proton occupancy patterns. Using a simplified dielectric model, we solve the linearized Poisson-Boltzmann equation to calculate a 54 ×54 work-of-charging matrix, each entry being the modeled voltage at a given titratable site, due to an elementary charge at another site. The matrix quantifies interactions within patches of sites, including γ B charge pairs. We model intrinsic p K values that would occur hypothetically in the absence of other charges, with use of experimental data on the dependence of p K values on aqueous solution conditions, the dielectric model, and literature values. We use Monte Carlo simulations to calculate a model grand-canonical partition function that incorporates both the work-of-charging and the intrinsic p K values for isolated γ B molecules and we calculate the probabilities of leading proton occupancy configurations, for 4

    charge sign as well as in surface voltage profile. We illustrate how charge pattern probabilities deviate from the multinomial distribution that would result from use of effective p K values alone and estimate the extents to which γ B charge pattern distributions broaden at lower p H and narrow as ionic strength is lowered. These results suggest that for accurate modeling of orientation-dependent γ B -γ B interactions, consideration of numerous pairs of proton occupancy patterns will be needed.

  20. Analyses of Non-bonding Length, Partial Atomics Charge and Electrostatic Energy from Molecular Dynamics Simulation of Phospholipase A2 – Substrate

    Directory of Open Access Journals (Sweden)

    Nirwan Syarif

    2016-11-01

    Full Text Available This paper reports molecular dynamics simulation of phospholipase A2 (PLA2– substrate that has been done. Non-bonding length, partial atomic charge and electrostatic energy were used to evaluation the interaction between PLA2 and substrate. The research was subjected for three types of PLA2 of different sources, i.e, homo sapien, bovinus and porcinus, by using computer files of their molecular structures. The files with code 3elo, 1bp2, dan 1y6o were downloaded from protein data bank. Substrate structure can be found in 1y60 and was separated from its enzyme structure and docked into two other PLA2 structures for simulation purpose. Molecular dynamics simulations were done for 30000 steps with constant in number of molecules, volume and temperature (NVT. The results showed the existing of flip-flop mechanism as basic feature of PLA2 – substrate reactions. Interaction length analysis results indicated the presence of water molecules on the structures of 1bp2 and 3elo at the time of the simulation was completed. The existence of aspagine at the reaction site confirmed the theory that this amino acid is responsible for the survival of the reaction. the electrostatic energy increased substantially in the interaction after homo sapien PLA2 (3elo and Bovinus (1bp2 with the substrate. Inverse effect took place in the PLA porcinus (1y6o.

  1. Electrostatic Spray Deposition-Based Manganese Oxide Films—From Pseudocapacitive Charge Storage Materials to Three-Dimensional Microelectrode Integrands

    Directory of Open Access Journals (Sweden)

    Richa Agrawal

    2017-07-01

    Full Text Available In this study, porous manganese oxide (MnOx thin films were synthesized via electrostatic spray deposition (ESD and evaluated as pseudocapacitive electrode materials in neutral aqueous media. Very interestingly, the gravimetric specific capacitance of the ESD-based electrodes underwent a marked enhancement upon electrochemical cycling, from 72 F∙g−1 to 225 F∙g−1, with a concomitant improvement in kinetics and conductivity. The change in capacitance and resistivity is attributed to a partial electrochemical phase transformation from the spinel-type hausmannite Mn3O4 to the conducting layered birnessite MnO2. Furthermore, the films were able to retain 88.4% of the maximal capacitance after 1000 cycles. Upon verifying the viability of the manganese oxide films for pseudocapacitive applications, the thin films were integrated onto carbon micro-pillars created via carbon microelectromechanical systems (C-MEMS for examining their application as potential microelectrode candidates. In a symmetric two-electrode cell setup, the MnOx/C-MEMS microelectrodes were able to deliver specific capacitances as high as 0.055 F∙cm−2 and stack capacitances as high as 7.4 F·cm−3, with maximal stack energy and power densities of 0.51 mWh·cm−3 and 28.3 mW·cm−3, respectively. The excellent areal capacitance of the MnOx-MEs is attributed to the pseudocapacitive MnOx as well as the three-dimensional architectural framework provided by the carbon micro-pillars.

  2. Molecular Dynamics Studies on the Structural Stability of Wild-Type Rabbit Prion Protein: Surface Electrostatic Charge Distributions

    CERN Document Server

    Zhang, Jiapu

    2011-01-01

    Prion diseases cover a large range of neurodegenerative diseases in humans and animals, which are invariably fatal and highly infectious. By now there have not been some effective therapeutic approaches or medications to treat all prion diseases. Fortunately, numerous experimental experiences have showed that rabbits are resistant to infection from prion diseases isolated from other species, and recently the molecular structures of rabbit prion protein and its mutants were released into protein data bank. Prion diseases are "protein structural conformational" diseases. Thus, in order to reveal some secrets of prion diseases, it is amenable to study rabbits by techniques of the molecular structure and its dynamics. Wen et al. (PLoS One 5(10) e13273 (2010), Journal of Biological Chemistry 285(41) 31682-31693 (2010)) reported the surface of NMR RaPrPC(124-228) molecular snapshot has a large land of continuous positive charge distribution, which contributes to the structural stability of rabbit prion protein. Thi...

  3. Conductive Bands Diminish Electrostatic Discharges

    Science.gov (United States)

    Leung, Philip L.; Whittlesey, Albert

    1992-01-01

    Electrostatic discharges on surfaces covered with electrically insulating paints reduced by connecting edges of painted surfaces to electrical grounds with band of conductive material. Prevents charge build up on paint which eventually arcs to conductive surface, damaging structures and equipment.

  4. Experimental Test Of Whether Electrostatically Charged Micro-organisms And Their Spores Contribute To The Onset Of Arcs Across Vacuum Gaps

    Energy Technology Data Exchange (ETDEWEB)

    none,; Grisham, Larry R.

    2014-02-24

    Recently it was proposed [L.R. Grisham, A. vonHalle, A.F. Carpe, Guy Rossi, K.R. Gilton, E.D. McBride, E.P. Gilson, A. Stepanov, T.N. Stevenson, Physics of Plasma 19 023107 (2012)] that one of the initiators of vacuum voltage breakdown between condu cting electrodes might be micro-organisms and their spores, previously deposited during exposure to air, which tnen become electrostatically charged when an electric potential is applied across the vacuum gap. The note describes a simple experiment to compare the number of voltage-conditioning pulses required to reach the nominal maxium operating voltage across a gap between two metallic conductors in a vacuum, comparing cases in which biological cleaning was done just prior to pump-down with cases where this was not done, with each preceded by exposure to ambient air for three days. Based upon these results, it does not appear that air-deposited microbes and their spores constitute a major pathway for arc initiation, at least for exposure periods of a few days, and for vacuum gaps of a few millimeters, in the regime where voltage holding is usually observed to vary linearly with gap distance

  5. Electrostatic fluctuations in soap films.

    Science.gov (United States)

    Dean, D S; Horgan, R R

    2002-06-01

    A field theory to describe electrostatic interactions in soap films, described by electric multilayers with a generalized thermodynamic surface-charging mechanism, is studied. In the limit where the electrostatic interactions are weak, this theory is exactly soluble. The theory incorporates in a consistent way, the surface-charging mechanism and the fluctuations in the electrostatic field that correspond to the zero-frequency component of the van der Waals force. It is shown that these terms lead to a Casimir-like attraction that can be sufficiently large to explain the transition between the common black film to a Newton black film.

  6. Electrostatic thin film chemical and biological sensor

    Science.gov (United States)

    Prelas, Mark A.; Ghosh, Tushar K.; Tompson, Jr., Robert V.; Viswanath, Dabir; Loyalka, Sudarshan K.

    2010-01-19

    A chemical and biological agent sensor includes an electrostatic thin film supported by a substrate. The film includes an electrostatic charged surface to attract predetermined biological and chemical agents of interest. A charge collector associated with said electrostatic thin film collects charge associated with surface defects in the electrostatic film induced by the predetermined biological and chemical agents of interest. A preferred sensing system includes a charge based deep level transient spectroscopy system to read out charges from the film and match responses to data sets regarding the agents of interest. A method for sensing biological and chemical agents includes providing a thin sensing film having a predetermined electrostatic charge. The film is exposed to an environment suspected of containing the biological and chemical agents. Quantum surface effects on the film are measured. Biological and/or chemical agents can be detected, identified and quantified based on the measured quantum surface effects.

  7. Electrostatics in pharmaceutical aerosols for inhalation.

    Science.gov (United States)

    Wong, Jennifer; Chan, Hak-Kim; Kwok, Philip Chi Lip

    2013-08-01

    Electrostatics continues to play an important role in pharmaceutical aerosols for inhalation. Despite its ubiquitous nature, the charging process is complex and not well understood. Nonetheless, significant advances in the past few years continue to improve understanding and lead to better control of electrostatics. The purpose of this critical review is to present an overview of the literature, with an emphasis on how electrostatic charge can be useful in improving pulmonary drug delivery.

  8. Electrostatic containerless processing system

    Science.gov (United States)

    Rulison, Aaron J.; Watkins, John L.; Zambrano, Brian

    1997-07-01

    We introduce a materials science tool for investigating refractory solids and melts: the electrostatic containerless processing system (ESCAPES). ESCAPES maintains refractory specimens of materials in a pristine state by levitating and heating them in a vacuum chamber, thereby avoiding the contaminating influences of container walls and ambient gases. ESCAPES is designed for the investigation of thermophysical properties, phase equilibria, metastable phase formation, undercooling and nucleation, time-temperature-transformation diagrams, and other aspects of materials processing. ESCAPES incorporates several design improvements over prior electrostatic levitation technology. It has an informative and responsive computer control system. It has separate light sources for heating and charging, which prevents runaway discharging. Both the heating and charging light sources are narrow band, which allows the use of optical pyrometry and other diagnostics at all times throughout processing. Heat is provided to the levitated specimens by a 50 W Nd:YAG laser operating at 1.064 μm. A deuterium arc lamp charges the specimen through photoelectric emission. ESCAPES can heat metals, ceramics, and semiconductors to temperatures exceeding 2300 K; specimens range in size from 1 to 3 mm diam. This article describes the design, capabilities, and applications of ESCAPES, focusing on improvements over prior electrostatic levitation technology.

  9. Electrostatic accelerators

    CERN Document Server

    Hinterberger, F

    2006-01-01

    The principle of electrostatic accelerators is presented. We consider Cockcroft– Walton, Van de Graaff and Tandem Van de Graaff accelerators. We resume high voltage generators such as cascade generators, Van de Graaff band generators, Pelletron generators, Laddertron generators and Dynamitron generators. The speci c features of accelerating tubes, ion optics and methods of voltage stabilization are described. We discuss the characteristic beam properties and the variety of possible beams. We sketch possible applications and the progress in the development of electrostatic accelerators.

  10. Limiting assumptions in molecular modeling: electrostatics.

    Science.gov (United States)

    Marshall, Garland R

    2013-02-01

    Molecular mechanics attempts to represent intermolecular interactions in terms of classical physics. Initial efforts assumed a point charge located at the atom center and coulombic interactions. It is been recognized over multiple decades that simply representing electrostatics with a charge on each atom failed to reproduce the electrostatic potential surrounding a molecule as estimated by quantum mechanics. Molecular orbitals are not spherically symmetrical, an implicit assumption of monopole electrostatics. This perspective reviews recent evidence that requires use of multipole electrostatics and polarizability in molecular modeling.

  11. Electrostatic hazards

    CERN Document Server

    Luttgens, Günter; Luttgens, Gnter; Luttgens, G Nter

    1997-01-01

    In the US, UK and Europe there is in excess of one notifiable dust or electrostatic explosion every day of the year. This clearly makes the hazards associated with the handling of materials subject to either cause or react to electrostatic discharge of vital importance to anyone associated with their handling or industrial bulk use. This book provides a comprehensive guide to the dangers of static electricity and how to avoid them. It will prove invaluable to safety managers and professionals, as well as all personnel involved in the activities concerned, in the chemical, agricultural, pharmaceutical and petrochemical process industries. The book makes extended use of case studies to illustrate the principles being expounded, thereby making it far more open, accessible and attractive to the practitioner in industry than the highly theoretical texts which are also available. The authors have many years' experience in the area behind them, including the professional teaching of the content provided here. Günte...

  12. Electrostatic accelerators

    OpenAIRE

    Hinterberger, F.

    2006-01-01

    The principle of electrostatic accelerators is presented. We consider Cockcroft– Walton, Van de Graaff and Tandem Van de Graaff accelerators. We resume high voltage generators such as cascade generators, Van de Graaff band generators, Pelletron generators, Laddertron generators and Dynamitron generators. The speci c features of accelerating tubes, ion optics and methods of voltage stabilization are described. We discuss the characteristic beam properties and the variety of possible beams. We ...

  13. Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects

    Science.gov (United States)

    Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.; Hünenberger, Philippe H.

    2013-01-01

    The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges −5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol−1) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB

  14. A study of the non-electrostatic interaction micelle/charged ligand: A comparison of the results obtained by two different methods

    Science.gov (United States)

    Jiménez, R.; García-Fernández, E.; Grueso, E.; Fernández, I.; Marín, I.; Sanz, J. J.; Torrado, L. A.; Villegas, D.; González, L.; Stürekow, H. K.; Leon, M.; Lería, F.; Machuca, E. M.; Martinez, L. M.; Morales, J.; Villa-Bernaldez, I.; Prado-Gotor, R.

    2006-01-01

    A kinetic study of the reaction between [Fe(CN) 6] 4- (hexacyanoferrate (II)) and [Co(en) 2Cl 2] + ( trans-dichlorobis cobalt(III) bis(ethylenediammine)) has been carried out in sodium dodecyl sulphate (SDS) micellar solutions containing NaCl. The results are discussed by using an approach based on the pseudophase model. Trends in the observed reactivity are explained by a change in the degree of association of one of the reactants ([Co(en) 2Cl] + in the present Letter) to the micelles, which depends on the surface potential of the micelles. The electrostatic and non-electrostatic components of the free energy of binding are determined by two different methods and the results of these determinations are compared.

  15. Computational Methods for Biomolecular Electrostatics

    Science.gov (United States)

    Dong, Feng; Olsen, Brett; Baker, Nathan A.

    2008-01-01

    An understanding of intermolecular interactions is essential for insight into how cells develop, operate, communicate and control their activities. Such interactions include several components: contributions from linear, angular, and torsional forces in covalent bonds, van der Waals forces, as well as electrostatics. Among the various components of molecular interactions, electrostatics are of special importance because of their long range and their influence on polar or charged molecules, including water, aqueous ions, and amino or nucleic acids, which are some of the primary components of living systems. Electrostatics, therefore, play important roles in determining the structure, motion and function of a wide range of biological molecules. This chapter presents a brief overview of electrostatic interactions in cellular systems with a particular focus on how computational tools can be used to investigate these types of interactions. PMID:17964951

  16. Innovative Electrostatic Adhesion Technologies

    Science.gov (United States)

    Bryan, Tom; Macleod, Todd; Gagliano, Larry; Williams, Scott; McCoy, Brian

    2015-01-01

    Developing specialized Electro-Static grippers (commercially used in Semiconductor Manufacturing and in package handling) will allow gentle and secure Capture, Soft Docking, and Handling of a wide variety of materials and shapes (such as upper-stages, satellites, arrays, and possibly asteroids) without requiring physical features or cavities for a pincher or probe or using harpoons or nets. Combined with new rigid boom mechanisms or small agile chaser vehicles, flexible, high speed Electro-Static Grippers can enable compliant capture of spinning objects starting from a safe stand-off distance. Electroadhesion (EA) can enable lightweight, ultra-low-power, compliant attachment in space by using an electrostatic force to adhere similar and dissimilar surfaces. A typical EA enabled device is composed of compliant space-rated materials, such as copper-clad polyimide encapsulated by polymers. Attachment is induced by strong electrostatic forces between any substrate material, such as an exterior satellite panel and a compliant EA gripper pad surface. When alternate positive and negative charges are induced in adjacent planar electrodes in an EA surface, the electric fields set up opposite charges on the substrate and cause an electrostatic adhesion between the electrodes and the induced charges on the substrate. Since the electrodes and the polymer are compliant and can conform to uneven or rough surfaces, the electrodes can remain intimately close to the entire surface, enabling high clamping pressures. Clamping pressures of more than 3 N/cm2 in shear can be achieved on a variety of substrates with ultra-low holding power consumption (measured values are less than 20 microW/Newton weight held). A single EA surface geometry can be used to clamp both dielectric and conductive substrates, with slightly different physical mechanisms. Furthermore EA clamping requires no normal force be placed on the substrate, as conventional docking requires. Internally funded research and

  17. Electrostatic electrochemistry at insulators.

    Science.gov (United States)

    Liu, Chongyang; Bard, Allen J

    2008-06-01

    The identity of charges generated by contact electrification on dielectrics has remained unknown for centuries and the precise determination of the charge density is also a long-standing challenge. Here, electrostatic charges on Teflon (polytetrafluoroethylene) produced by rubbing with Lucite (polymethylmethacrylate) were directly identified as electrons rather than ions by electrochemical (redox) experiments with charged Teflon used as a single electrode in solution causing various chemical reactions: pH increases; hydrogen formation; metal deposition; Fe(CN)(6)(3-) reduction; and chemiluminescence in the system of Teflon(-)/Ru(bpy)(3)(2+)/S(2)O(8)(2-) (analogous to electrogenerated chemiluminescence). Moreover, copper deposition could be amplified by depositing Pd first in a predetermined pattern, followed by electroless deposition to produce Cu lines. This process could be potentially important for microelectronic and other applications because Teflon has desirable properties including a low dielectric constant and good thermal stability. Charge density was determined using Faraday's law and the significance of electron transfer processes on charged polymers and potentially other insulators have been demonstrated.

  18. Internal Charging

    Science.gov (United States)

    Minow, Joseph I.

    2014-01-01

    (1) High energy (>100keV) electrons penetrate spacecraft walls and accumulate in dielectrics or isolated conductors; (2) Threat environment is energetic electrons with sufficient flux to charge circuit boards, cable insulation, and ungrounded metal faster than charge can dissipate; (3) Accumulating charge density generates electric fields in excess of material breakdown strenght resulting in electrostatic discharge; and (4) System impact is material damage, discharge currents inside of spacecraft Faraday cage on or near critical circuitry, and RF noise.

  19. The Electrocardiogram as an Example of Electrostatics

    Science.gov (United States)

    Hobbie, Russell K.

    1973-01-01

    Develops a simplified electrostatic model of the heart with conduction within the torso neglected to relate electrocardiogram patterns to the charge distribution within the myocardium. Suggests its application to explanation of Coulomb's law in general physics. (CC)

  20. Electrostatic interactions play an essential role in the binding of oleic acid with α-lactalbumin in the HAMLET-like complex: a study using charge-specific chemical modifications.

    Science.gov (United States)

    Xie, Yongjing; Min, Soyoung; Harte, Níal P; Kirk, Hannah; O'Brien, John E; Voorheis, H Paul; Svanborg, Catharina; Hun Mok, K

    2013-01-01

    Human α-lactalbumin made lethal to tumor cells (HAMLET) and its analogs are partially unfolded protein-oleic acid (OA) complexes that exhibit selective tumoricidal activity normally absent in the native protein itself. To understand the nature of the interaction between protein and OA moieties, charge-specific chemical modifications of lysine side chains involving citraconylation, acetylation, and guanidination were employed and the biophysical and biological properties were probed. Upon converting the original positively-charged lysine residues to negatively-charged citraconyl or neutral acetyl groups, the binding of OA to protein was eliminated, as were any cytotoxic activities towards osteosarcoma cells. Retention of the positive charges by converting lysine residues to homoarginine groups (guanidination); however, yielded unchanged binding of OA to protein and identical tumoricidal activity to that displayed by the wild-type α-lactalbumin-oleic acid complex. With the addition of OA, the wild-type and guanidinated α-lactalbumin proteins underwent substantial conformational changes, such as partial unfolding, loss of tertiary structure, but retention of secondary structure. In contrast, no significant conformational changes were observed in the citraconylated and acetylated α-lactalbumins, most likely because of the absence of OA binding. These results suggest that electrostatic interactions between the positively-charged basic groups on α-lactalbumin and the negatively-charged carboxylate groups on OA molecules play an essential role in the binding of OA to α-lactalbumin and that these interactions appear to be as important as hydrophobic interactions. Copyright © 2012 Wiley Periodicals, Inc.

  1. COMPULSIVE BUYING TENDENCIES.

    Science.gov (United States)

    Spinella, Marcello; Lester, David; Yang, Bijou

    2015-12-01

    Compulsive buying behavior is typically viewed as pathological, but recent research has shown that compulsive buying tendencies are associated with attitudes toward money, personal financial behavior, and having materialistic values, suggesting that compulsive buyers are manifesting an extreme form of habits shown by people in general. In a study of 240 community residents, scores on the Compulsive Buying Scale were associated positively with scores on the Material Values Scale and the Canadian Problem Gambling Index, and negatively with scores on the Executive Personal Finance Scale and Ardelt's wisdom scale. These results suggest that, as is the case for many abnormal behaviors, tendencies toward compulsive buying may not be pathological, but are associated with attitudes toward money in general, financial management behavior, and materialistic values.

  2. Improved Electronic Control for Electrostatic Precipitators

    Science.gov (United States)

    Johnston, D. F.

    1986-01-01

    Electrostatic precipitators remove particulate matter from smoke created by burning refuse. Smoke exposed to electrostatic field, and particles become electrically charged and migrate to electrically charged collecting surfaces. New microprocessor-based electronic control maintains precipitator power at maximum particulate-collection level. Control automatically senses changes in smoke composition due to variations in fuel or combustion and adjusts precipitator voltage and current accordingly. Also, sensitive yet stable fault detection provided.

  3. Experimental Results of an Electrostatic Injector

    Science.gov (United States)

    2014-10-01

    injections in small engines to improve fuel-air mixing. Based on TDA Research and University of Colorado study of electrostatic injectors, this...qualitatively analyze the spray. The experiments in this project consist of baseline tests on an electrostatic in- jector designed by TDA Research Inc...Figure 2. In TDA Research’s initial study and this study, a downstream charge induction is utilized [1]. 3 Figure 2. Downstream charge induction

  4. Electrostatic Complexation between Membrane and Colloid

    Science.gov (United States)

    Wang, Jiafang; Muthukumar, M.

    2006-03-01

    As a primary model of endocytosis, the electrostatic complexation between membrane and colloid is studied. Using a simple approximation, the membrane shape can be determined easily without solving the nonlinear differential shape equation, which facilitates the consideration of electrostatic effects. The phase diagram for the electrostatic complexes can be constructed in terms of the rescaled stretching tension, adhesion strength, and the screening length. By referring to the phase diagram, the possible phase transitions due to the variations of the electrostatic factors (including the charge density, and the screening length) are discussed.

  5. Screened Electrostatic Interactions in Molecular Mechanics.

    Science.gov (United States)

    Wang, Bo; Truhlar, Donald G

    2014-10-14

    In a typical application of molecular mechanics (MM), the electrostatic interactions are calculated from parametrized partial atomic charges treated as point charges interacting by radial Coulomb potentials. This does not usually yield accurate electrostatic interactions at van der Waals distances, but this is compensated by additional parametrized terms, for example Lennard-Jones potentials. In the present work, we present a scheme involving radial screened Coulomb potentials that reproduces the accurate electrostatics much more accurately. The screening accounts for charge penetration of one subsystem's charge cloud into that of another subsystem, and it is incorporated into the interaction potential in a way similar to what we proposed in a previous article (J. Chem. Theory Comput. 2010, 6, 3330) for combined quantum mechanical and molecular mechanical (QM/MM) simulations, but the screening parameters are reoptimized for MM. The optimization is carried out with electrostatic-potential-fitted partial atomic charges, but the optimized parameters should be useful with any realistic charge model. In the model we employ, the charge density of an atom is approximated as the sum of a point charge representing the nucleus and inner electrons and a smeared charge representing the outermost electrons; in particular, for all atoms except hydrogens, the smeared charge represents the two outermost electrons in the present model. We find that the charge penetration effect can cause very significant deviations from the popular point-charge model, and by comparison to electrostatic interactions calculated by symmetry-adapted perturbation theory, we find that the present results are considerably more accurate than point-charge electrostatic interactions. The mean unsigned error in electrostatics for a large and diverse data set (192 interaction energies) decreases from 9.2 to 3.3 kcal/mol, and the error in the electrostatics for 10 water dimers decreases from 1.7 to 0.5 kcal

  6. Chromosome congression explained by nanoscale electrostatics.

    Science.gov (United States)

    Gagliardi, L John; Shain, Daniel H

    2014-02-24

    Nanoscale electrostatic microtubule disassembly forces between positively charged molecules in kinetochores and negative charges on plus ends of microtubules have been implicated in poleward chromosome motions and may also contribute to antipoleward chromosome movements. We propose that chromosome congression can be understood in terms of antipoleward nanoscale electrostatic microtubule assembly forces between negatively charged microtubule plus ends and like-charged chromosome arms, acting in conjunction with poleward microtubule disassembly forces. Several other aspects of post-attachment prometaphase chromosome motions, as well as metaphase oscillations, are consistently explained within this framework.

  7. Quantitative nanoscale electrostatics of viruses.

    Science.gov (United States)

    Hernando-Pérez, M; Cartagena-Rivera, A X; Lošdorfer Božič, A; Carrillo, P J P; San Martín, C; Mateu, M G; Raman, A; Podgornik, R; de Pablo, P J

    2015-11-07

    Electrostatics is one of the fundamental driving forces of the interaction between biomolecules in solution. In particular, the recognition events between viruses and host cells are dominated by both specific and non-specific interactions and the electric charge of viral particles determines the electrostatic force component of the latter. Here we probe the charge of individual viruses in liquid milieu by measuring the electrostatic force between a viral particle and the Atomic Force Microscope tip. The force spectroscopy data of co-adsorbed ϕ29 bacteriophage proheads and mature virions, adenovirus and minute virus of mice capsids is utilized for obtaining the corresponding density of charge for each virus. The systematic differences of the density of charge between the viral particles are consistent with the theoretical predictions obtained from X-ray structural data. Our results show that the density of charge is a distinguishing characteristic of each virus, depending crucially on the nature of the viral capsid and the presence/absence of the genetic material.

  8. Asteroid electrostatic instrumentation and modelling

    Science.gov (United States)

    Aplin, K. L.; Bowles, N. E.; Urbak, E.; Keane, D.; Sawyer, E. C.

    2011-06-01

    Asteroid surface material is expected to become photoelectrically charged, and is likely to be transported through electrostatic levitation. Understanding any movement of the surface material is relevant to proposed space missions to return samples to Earth for detailed isotopic analysis. Motivated by preparations for the Marco Polo sample return mission, we present electrostatic modelling for a real asteroid, Itokawa, for which detailed shape information is available, and verify that charging effects are likely to be significant at the terminator and at the edges of shadow regions for the Marco Polo baseline asteroid, 1999JU3. We also describe the Asteroid Charge Experiment electric field instrumentation intended for Marco Polo. Finally, we find that the differing asteroid and spacecraft potentials on landing could perturb sample collection for the short landing time of 20min that is currently planned.

  9. Asteroid electrostatic instrumentation and modelling

    Energy Technology Data Exchange (ETDEWEB)

    Aplin, K L; Bowles, N E; Urbak, E [Department of Physics, University of Oxford, Denys Wilkinson Building, Keble Road, Oxford OX1 3RH (United Kingdom); Keane, D; Sawyer, E C, E-mail: k.aplin1@physics.ox.ac.uk [RAL Space, R25, Harwell Oxford, Didcot OX11 0QX (United Kingdom)

    2011-06-23

    Asteroid surface material is expected to become photoelectrically charged, and is likely to be transported through electrostatic levitation. Understanding any movement of the surface material is relevant to proposed space missions to return samples to Earth for detailed isotopic analysis. Motivated by preparations for the Marco Polo sample return mission, we present electrostatic modelling for a real asteroid, Itokawa, for which detailed shape information is available, and verify that charging effects are likely to be significant at the terminator and at the edges of shadow regions for the Marco Polo baseline asteroid, 1999JU3. We also describe the Asteroid Charge Experiment electric field instrumentation intended for Marco Polo. Finally, we find that the differing asteroid and spacecraft potentials on landing could perturb sample collection for the short landing time of 20min that is currently planned.

  10. Echinoderms have bilateral tendencies.

    Science.gov (United States)

    Ji, Chengcheng; Wu, Liang; Zhao, Wenchan; Wang, Sishuo; Lv, Jianhao

    2012-01-01

    Echinoderms take many forms of symmetry. Pentameral symmetry is the major form and the other forms are derived from it. However, the ancestors of echinoderms, which originated from Cambrian period, were believed to be bilaterians. Echinoderm larvae are bilateral during their early development. During embryonic development of starfish and sea urchins, the position and the developmental sequence of each arm are fixed, implying an auxological anterior/posterior axis. Starfish also possess the Hox gene cluster, which controls symmetrical development. Overall, echinoderms are thought to have a bilateral developmental mechanism and process. In this article, we focused on adult starfish behaviors to corroborate its bilateral tendency. We weighed their central disk and each arm to measure the position of the center of gravity. We then studied their turning-over behavior, crawling behavior and fleeing behavior statistically to obtain the center of frequency of each behavior. By joining the center of gravity and each center of frequency, we obtained three behavioral symmetric planes. These behavioral bilateral tendencies might be related to the A/P axis during the embryonic development of the starfish. It is very likely that the adult starfish is, to some extent, bilaterian because it displays some bilateral propensity and has a definite behavioral symmetric plane. The remainder of bilateral symmetry may have benefited echinoderms during their evolution from the Cambrian period to the present.

  11. Echinoderms have bilateral tendencies.

    Directory of Open Access Journals (Sweden)

    Chengcheng Ji

    Full Text Available Echinoderms take many forms of symmetry. Pentameral symmetry is the major form and the other forms are derived from it. However, the ancestors of echinoderms, which originated from Cambrian period, were believed to be bilaterians. Echinoderm larvae are bilateral during their early development. During embryonic development of starfish and sea urchins, the position and the developmental sequence of each arm are fixed, implying an auxological anterior/posterior axis. Starfish also possess the Hox gene cluster, which controls symmetrical development. Overall, echinoderms are thought to have a bilateral developmental mechanism and process. In this article, we focused on adult starfish behaviors to corroborate its bilateral tendency. We weighed their central disk and each arm to measure the position of the center of gravity. We then studied their turning-over behavior, crawling behavior and fleeing behavior statistically to obtain the center of frequency of each behavior. By joining the center of gravity and each center of frequency, we obtained three behavioral symmetric planes. These behavioral bilateral tendencies might be related to the A/P axis during the embryonic development of the starfish. It is very likely that the adult starfish is, to some extent, bilaterian because it displays some bilateral propensity and has a definite behavioral symmetric plane. The remainder of bilateral symmetry may have benefited echinoderms during their evolution from the Cambrian period to the present.

  12. On the representation of the electric charge distribution in ethane for calculations of the molecular quadrupole moment and intermolecular electrostatic energy

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Alldredge, G. P.; Bruch, L. W.

    1985-01-01

    It is shown that a simple atom-site monopole model is inferior to one which includes higher-order local multipoles to represent the intramolecular charge distribution of ethane. Unlike the latter model, the local monopole representation predicts the wrong sign for the molecular quadrupole moment...

  13. RNA topology remolds electrostatic stabilization of viruses

    NARCIS (Netherlands)

    Erdemci-Tandogan, Gonca; Wagner, Jef; Van Der Schoot, Paul; Podgornik, Rudolf; Zandi, Roya

    2014-01-01

    Simple RNA viruses efficiently encapsulate their genome into a nano-sized protein shell: the capsid. Spontaneous coassembly of the genome and the capsid proteins is driven predominantly by electrostatic interactions between the negatively charged RNA and the positively charged inner capsid wall.

  14. Electrostatics of a Family of Conducting Toroids

    Science.gov (United States)

    Lekner, John

    2009-01-01

    An exact solution is found for the electrostatic potential of a family of conducting charged toroids. The toroids are characterized by two lengths "a" and "b", with "a" greater than or equal to "2b". They are closed, with no hole in the "doughnut". The results are obtained by considering the potential of two equal charges, displaced from the…

  15. The Contribution of Surface Potential to Diverse Problems in Electrostatics

    Science.gov (United States)

    Horenstein, M.

    2015-10-01

    Electrostatics spans many different subject areas. Some comprise “good electrostatics,” where charge is used for desirable purposes. Such areas include industrial manufacturing, electrophotography, surface modification, precipitators, aerosol control, and MEMS. Other areas comprise “bad electrostatics,” where charge is undesirable. Such areas include hazardous discharges, ESD, health effects, nuisance triboelectrification, particle contamination, and lightning. Conference proceedings such as this one inevitably include papers grouped around these topics. One common thread throughout is the surface potential developed when charge resides on an insulator surface. Often, the charged insulator will be in intimate contact with a ground plane. At other times, the charged insulator will be isolated. In either case, the resulting surface potential is important to such processes as propagating brush discharges, charge along a moving web, electrostatic biasing effects in MEMS, non-contacting voltmeters, field-effect transistor sensors, and the maximum possible charge on a woven fabric.

  16. Particle deposition in a realistic geometry of the human conducting airways: Effects of inlet velocity profile, inhalation flowrate and electrostatic charge

    DEFF Research Database (Denmark)

    Koullapis, P. G.; Kassinos, S. C.; Bivolarova, Mariya Petrova

    2016-01-01

    , we use Large Eddy Simulations (LES) to investigate the deposition of inhaled aerosol particles with diameters of dp=0.1,0.5,1,2.5,5dp=0.1,0.5,1,2.5,5 and 10μm (particle density of 1200 kg/m3). We use a reconstructed geometry of the human airways obtained via computed tomography and assess the effects......-regions of our reconstructed geometry. Although there was a relatively small impact of inhalation flowrate on the deposition of charged particles for sizes dp

  17. 3D electrostatic charge distribution on finitely thick busbars in micro-acoustic devices: combined regularization in the near- and far-field.

    Science.gov (United States)

    Baghai-Wadji, Alireza

    2015-06-01

    The original work for 3-D charge distributions in micro-acoustic devices has been manifestly extended to account for finitely thick busbars. The work has been initiated to create a platform for simulating the electric charge localization and field enhancement at the electrode/busbar gaps depending on the thickness of the metalization in submicrometer geometries. A recipe for the construction of relevant Green's functions has been provided. A universal function (UF) for setting up system matrices in the method-of-moments' implementations has been constructed. Universal functions (moments of Green's functions) are by construction highly smooth and easy to compute. This work also presents a comprehensive completion of earlier work. For the first time, the calculation of the UF for a 3-D problem has been presented in great detail, highlighting the underlying regularization techniques. It is shown that the singular Fourier-type integrals involved can be regularized simultaneously in the near- and far-field. The pinnacle of the work is the detailed demonstration of the property that Hadamard's finite part regularization naturally arises in the construction of UFs. Three lemmata facilitate the understanding of the underlying concepts.

  18. Electrostatics of Pharmaceutical Aerosols for Pulmonary Delivery.

    Science.gov (United States)

    Lip Kwok, Philip Chi

    2015-01-01

    This paper provides a review on key research findings in the rapidly developing area of pharmaceutical aerosol electrostatics. Solids and liquids can become charged without electric fields, the former by contact or friction and the latter by flowing or spraying. Therefore, charged particles and droplets carrying net charges are produced from pharmaceutical inhalers (e.g. dry powder inhalers, metered dose inhalers, and nebulisers) due to the mechanical processes involved in aerosolisation. The charging depends on many physicochemical factors, such as formulation composition, solid state properties, inhaler material and design, and relative humidity. In silico, in vitro, and limited in vivo studies have shown that electrostatic charges may potentially influence particle deposition in the airways. However, the evidence is not yet conclusive. Furthermore, there are currently no regulatory requirements on the characterisation and control of the electrostatic properties of inhaled formulations. Besides the need for further investigations on the relationship between physicochemical factors and charging characteristics of the aerosols, controlled and detailed in vivo studies are also required to confirm whether charges can affect particle deposition in the airways. Since pharmaceutical aerosol electrostatics is a relatively new research area, much remains to be explored. Thus there is certainly potential for development. New findings in the future may contribute to the advancement of pharmaceutical aerosol formulations and respiratory drug delivery.

  19. PREFACE: Electrostatics 2015

    Science.gov (United States)

    Matthews, James

    2015-10-01

    presentation related to their work. Chilworth Technology and Infolytica both took advantage of this opportunity. David Firth from Chilworth Technology delivered some case studies related to process safety and Chris Emson from Infolytica compared the different types of modelling software used in industry and academia. For two days of the conference, an exhibition was held for delegates to meet and discuss their work with interested companies. Sessions on Modelling and Simulation and on Measurement and Instrumentation were included. Recent successful IOP meetings on Electrospinning and Electrospray prove that this is an important topic, and were the subject of a session in the conference, including an invited talk by Dr Horst von Recum on Electrospun materials for affinity based drug delivery. The conference finished with a session on Environmental and Space Applications. The Southampton Yacht Club provided a fitting venue for the conference dinner on the Wednesday evening. Meal times, and conference dinners in particular, are always a great opportunity to meet with other workers in related fields, and there were many conversations started in question and answer sessions that continued over a plate of food. Within the conference dinner, prizes were awarded for the best student work. Ladislav Konopka's talk in the modelling and simulation session discussed how different particle sizes can be shown to transfer charge in a modelled system. Matthias Perez's poster presented early work on the use of a small-scale wind turbine to generate wind power. The discussions both within the lecture theatre and the ongoing discussions that occur over coffee and tea in between sessions are often a place where new ideas are shared. In fact, the presentation submitted by Dr Atsushi Ohsawa, Charge neutralisation from the side surface of an insulating plate, acknowledged an inspiration from a question raised at a previous Electrostatics conference in Budapest in 2013. In these proceedings the

  20. Electrostatic precipitator for air cleaning

    Energy Technology Data Exchange (ETDEWEB)

    Albertsson, P.; Eriksson, R.; Vlastos, A.

    1981-03-31

    An electrostatic precipitator is disclosed for air cleaning wherein the air passes through in two steps: first passing through a charging portion and next through a separation portion. The charging portion includes wires positioned parallel to and between parallel metal sheets, the wires having an electric potential other than that of the metal sheets. The separation portion includes plural parallel metal sheets, each of which has an electric potential other than that of adjacent metal sheets. The charging portion includes two or more wires between each pair of metal sheets, and the metal sheets of the charging portion extend through and constitute some of the metal sheets of the separation portion, between which are disposed addition metal sheets of an odd number.

  1. Electrostatic Stabilization Of Growing Protein Crystals

    Science.gov (United States)

    Shlichta, Paul J.

    1991-01-01

    Proposed technique produces large crystals in compact, economical apparatus. Report presents concept for supporting protein crystals during growth in microgravity. Yields crystals larger and more-nearly perfect than those grown on Earth. Combines best features of sandwich-drop and electrostatic-levitation methods of support. Drop of protein solution inserted between pair of glass or plastic plates, as in sandwich-drop-support method. Electrostatically charged ring confines drop laterally and shapes it, as in electrostatic technique. Apparatus also made to accommodate several drops simultaneously between same pair of supporting plates. Drops can be inserted and crystals removed through ducts in plates.

  2. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 7. Electrostatics in Chemistry - Molecular Electrostatic Potential: Visualization and Topography. Shridhar R Gadre Pravin K Bhadane. Series Article Volume 4 Issue 7 July 1999 pp 14-23 ...

  3. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    Electrostatics in Chemistry. 3. Molecular Electrostatic Potential: Visualization and Topography. Shridhar R Gadre and Pravin K Bhadane. 1 1. Basic Principles, Resona- nce, Vol.4, No.2, 11-19, 1999. 2. Electrostatic Potentials of. Atoms, Ions and Molecules,. Resonance, Vol.4, No.5, 40-51,. 1999. Topographical features of the ...

  4. The study of plate-type electrostatic precipitators electrical supplies

    OpenAIRE

    Gabriel N. Popa; Corina Cunţan; Ovidiu Tirian; Dorin Roiban

    2005-01-01

    Stricter environmental legislation in many countries is producing standards governing the emission of fine particles to the atmosphere from all sources. The industrial separating particles from process streams have numerous methods with different principles. In electrostatic precipitators is used electrical charge of dust particles.There are many aspects of pollution control in both solid and liquid phase using electrostatic precipitators.The operation of plate-type electrostatic precipitator...

  5. Response of an electrostatic probe for a right cylindrical spacer

    DEFF Research Database (Denmark)

    Rerup, T; Crichton, George C; McAllister, Iain Wilson

    1994-01-01

    During the last decade many experimental studies of surface charge phenomena have been undertaken employing right cylindrical spacers. Measurement of the surface charge was performed using small electrostatic field probes to scan across the dielectric surface. Charges are electrostatically induced...... on the sensor plate by the ambient surface charge, and hence as the probe is moved parallel to the surface the potential of the sensor plate changes. The probe sensor-plate potential is thus the parameter of interest as this parameter can be related in a quantitative manner to the surface charge density...

  6. RNA topology remolds electrostatic stabilization of viruses

    OpenAIRE

    Erdemci-Tandogan, G; Wagner, J.; Schoot, van der, PPAM Paul; Podgornik, R.; Zandi, R

    2013-01-01

    Simple RNA viruses efficiently encapsulate their genome into a nano-sized protein shell: the capsid. Spontaneous coassembly of the genome and the capsid proteins is driven predominantly by electrostatic interactions between the negatively charged RNA and the positively charged inner capsid wall. Using field theoretic formulation we show that the inherently branched RNA secondary structure allows viruses to maximize the amount of encapsulated genome and make assembly more efficient, allowing v...

  7. Art as Visual Research: The tendency in New Tendencies

    Directory of Open Access Journals (Sweden)

    Armin Medosch

    2015-12-01

    Full Text Available This article presents the international movement New Tendencies (1961-1978 as one of the first large scale international art movements that made artist-led research a core concern. New Tendencies adopted ideas and methods from Gestalt psychology, a holistic, experimental form of psychological research, and combined it with the idea of liberating the viewer from alienation. This paper will primarily focus on the first phase of New Tendencies, from 1961 to 1963, when the movement developed its new aesthetics and poetics. The viewer was made a participant in the work by creating a relational field between work and viewer, whereby visual research was meant to replace the notion of art. This happened in the social context of the time, characterised by rapid modernisation processes in industry summarised by the term “automation”, and by a cultural Cold War in which art was exploited by both East and West.

  8. Electrostatic MEMS devices with high reliability

    Science.gov (United States)

    Goldsmith, Charles L; Auciello, Orlando H; Sumant, Anirudha V; Mancini, Derrick C; Gudeman, Chris; Sampath, Suresh; Carlilse, John A; Carpick, Robert W; Hwang, James

    2015-02-24

    The present invention provides for an electrostatic microelectromechanical (MEMS) device comprising a dielectric layer separating a first conductor and a second conductor. The first conductor is moveable towards the second conductor, when a voltage is applied to the MEMS device. The dielectric layer recovers from dielectric charging failure almost immediately upon removal of the voltage from the MEMS device.

  9. Electrostatic model of semiconductor nanoparticles trapped in ...

    Indian Academy of Sciences (India)

    A simple electrostatic model is applied to study the solvation energy and localization energy to inorganic semiconductor nanocrystallites trapped in polymer and ion conducting ... In the single charge configuration, the dielectric constant of the medium has been identified as the selection criteria for hosting the nanoparticles.

  10. Electrostatic model of semiconductor nanoparticles trapped in ...

    Indian Academy of Sciences (India)

    Abstract. A simple electrostatic model is applied to study the solvation energy and localization energy to inorganic semiconductor nanocrystallites trapped in polymer and ion conducting polymer electrolytes. The effective mass approximation has been applied to the system. In the single charge configuration, the dielectric ...

  11. Stability of dispersions in polar organic media. I. Electrostatic stabilization

    NARCIS (Netherlands)

    Rooy, N. de; Bruyn, P.L. de; Overbeek, J.Th.G.

    Electrostatically stabilized sols of silver, silver iodide, α-goethite, and copper phthalocyanine in methanol, ethanol, isopropanol, and acetone have been prepared and characterized. Coagulation concentrations with electrolytes of various charge numbers have been determined in water, in organic

  12. Electrostatically controlled micromechanical gyroscope

    Science.gov (United States)

    Hawkey, Timothy (Inventor); Torti, Richard (Inventor); Johnson, Bruce (Inventor)

    1994-01-01

    An integrated electrostatically-controlled micromechanical gyroscope with a rotor encompassed within a rotor cavity and electrostatically spun within the cavity. The gyroscope includes a plurality of axial electrostatic rotor actuators above and below the rotor for controlling the axial and tilt position of the rotor within the cavity, and a plurality of radial electrostatic actuators spaced circumferentially around the rotor for controlling the radial and tilt position of the rotor within the cavity. The position of the rotor within the cavity is then resolved to determine the external forces acting on the rotor.

  13. Embedding beyond electrostatics

    DEFF Research Database (Denmark)

    Nåbo, Lina J.; Olsen, Jógvan Magnus Haugaard; Holmgaard List, Nanna

    2016-01-01

    We study excited states of cholesterol in solution and show that, in this specific case, solute wave-function confinement is the main effect of the solvent. This is rationalized on the basis of the polarizable density embedding scheme, which in addition to polarizable embedding includes non-electrostatic...... repulsion that effectively confines the solute wave function to its cavity. We illustrate how the inclusion of non-electrostatic repulsion results in a successful identification of the intense π → π∗ transition, which was not possible using an embedding method that only includes electrostatics....... This underlines the importance of non-electrostatic repulsion in quantum-mechanical embedding-based methods....

  14. Electrostatic Cycling of Hybridization Using Nonionic DNA Mimics.

    Science.gov (United States)

    Ruffin, Sade; Hung, Isabella A; Koniges, Ursula M; Levicky, Rastislav

    2017-07-28

    This study demonstrates efficient electrostatic control of surface hybridization through use of morpholinos, a charge-neutral DNA mimic, as the immobilized "probes". In addition to being compatible with low ionic strengths, use of uncharged probes renders the field interaction specific to the nucleic acid analyte. In contrast to DNA probes, morpholino probes enable facile cycling between hybridized and dehybridized states within minutes. Impact of ionic strength and temperature on the effectiveness of electrostatics to direct progress of hybridization is evaluated. Optimal electrostatic control is found when stability of probe-analyte duplexes is set so that electrostatics can efficiently switch between the forward (hybridization) and reverse (dehybridization) directions.

  15. Electrostatic effects on hyaluronic acid configuration

    Science.gov (United States)

    Berezney, John; Saleh, Omar

    2015-03-01

    In systems of polyelectrolytes, such as solutions of charged biopolymers, the electrostatic repulsion between charged monomers plays a dominant role in determining the molecular conformation. Altering the ionic strength of the solvent thus affects the structure of such a polymer. Capturing this electrostatically-driven structural dependence is important for understanding many biological systems. Here, we use single molecule manipulation experiments to collect force-extension behavior on hyaluronic acid (HA), a polyanion which is a major component of the extracellular matrix in all vertebrates. By measuring HA elasticity in a variety of salt conditions, we are able to directly assess the contribution of electrostatics to the chain's self-avoidance and local stiffness. Similar to recent results from our group on single-stranded nucleic acids, our data indicate that HA behaves as a swollen chain of electrostatic blobs, with blob size proportional to the solution Debye length. Our data indicate that the chain structure within the blob is not worm-like, likely due to long-range electrostatic interactions. We discuss potential models of this effect.

  16. Electrostatic Studies for the 2008 Hubble Service Repair Mission

    Science.gov (United States)

    Buhler, C. R.; Clements, J. S.; Calle, C. I.

    2012-01-01

    High vacuum triboelectric testing of space materials was required to identify possible Electrostatic Discharge (ESD) concerns for the astronauts in space during electronics board replacement on the Hubble Space Telescope. Testing under high vacuum conditions with common materials resulted in some interesting results. Many materials were able to charge to high levels which did not dissipate quickly even when grounded. Certain materials were able to charge up in contact with grounded metals while others were not. An interesting result was that like materials did not exchange electrostatic charge under high vacuum conditions. The most surprising experimental result is the lack of brush discharges from charged insulators under high vacuum conditions.

  17. Contrastive Analysis and Language Tendencies.

    Science.gov (United States)

    Ree, Joe J.

    The purpose of this paper is to show that: (1) language universals have much to offer to students of contrastive linguistics, and (2) in order to make contrastive analysis more meaningful, one ought to go beyond cataloguing mere contrastive structure statements and capture underlying structural tendencies. Some characteristics of word order in…

  18. Electrostatic Discharge Training Manual

    Science.gov (United States)

    1980-09-01

    NAVSEA SE 003-AA-TRN-OO LEYE V ELECTROSTATIC DISCHARGE TRAINING MANUAL s DTIC ,T OF I!ELECTE, ,4MA 0W\\R 9 981 E PUBLISHED BY DIRECTION OF COMMANDER...LABORATORY-TYPE DETECTORS SHOULD BE USED. IN SUMMARY, CHARACTERIS- TICS TO CONSIDER IN SELECTING AN ELECTROSTATIC DETECTOR ARE: o SENSITIVITY (MINIMUM

  19. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    For an excellent summary of the field of supramolecular chemistry, readers are referred to the article by J-M Lehn in Resonance, VaLl,. No.3, p.39, 1996. Electrostatics plays an important role in weak intermolecular interactions. The present series is aimed at understanding these electrostatic aspects. This article presents the.

  20. Edutainment Science: Electrostatics

    Science.gov (United States)

    Ahlers, Carl

    2009-01-01

    Electrostatics should find a special place in all primary school science curricula. It is a great learning area that reinforces the basics that underpin electricity and atomic structure. Furthermore, it has many well documented hands-on activities. Unfortunately, the "traditional" electrostatics equipment such as PVC rods, woollen cloths, rabbit…

  1. Electrostatic septum, SPS

    CERN Multimedia

    CERN PhotoLab

    1978-01-01

    To minimize losses during slow extraction towards N- and W-Area, electrostatic septa in long straight sections 2 and 6 precede the magnetic septa. This picture shows such an electrostatic septum in its tank. See 7501120X, 7501199 and 7501201 for more detailed pictures.

  2. Collisionless electrostatic shocks

    DEFF Research Database (Denmark)

    Andersen, H.K.; Andersen, S.A.; Jensen, Vagn Orla

    1970-01-01

    An attempt was made in the laboratory to observe the standing collisionless electrostatic shocks in connection with the bow shock of the earth......An attempt was made in the laboratory to observe the standing collisionless electrostatic shocks in connection with the bow shock of the earth...

  3. Electrostatic Separation Of Layers In Thermal Insulation

    Science.gov (United States)

    Bhandari, Pradeep

    1995-01-01

    Layers in multilayer insulation charged to keep them separated by electrostatic repulsion, eliminating need for spacer nets. Removal of spacer nets reduces conduction of heat between layers. Insulation in question type used to slow leakage of heat into Dewar flasks containing liquid helium. Proposal originally applied to insulation in cryogenic cooling subsystems of infrared-detector systems in outer space, also appears applicable to small panels of insulation for terrestrial cryogenic equipment, provided layers contained in evacuated spaces and weight of each layer small fraction of electrostatic force upon it.

  4. Histidine in Continuum Electrostatics Protonation State Calculations

    Science.gov (United States)

    Couch, Vernon; Stuchebruckhov, Alexei

    2014-01-01

    A modification to the standard continuum electrostatics approach to calculate protein pKas which allows for the decoupling of histidine tautomers within a two state model is presented. Histidine with four intrinsically coupled protonation states cannot be easily incorporated into a two state formalism because the interaction between the two protonatable sites of the imidazole ring is not purely electrostatic. The presented treatment, based on a single approximation of the interrelation between histidine’s charge states, allows for a natural separation of the two protonatable sites associated with the imidazole ring as well as the inclusion of all protonation states within the calculation. PMID:22072521

  5. Dissociative Tendencies and Traffic Incidents

    Directory of Open Access Journals (Sweden)

    Valle, Virginia

    2012-01-01

    Full Text Available This paper analyses the relationship between dissociative experiences and road traffic incidents (crashes and traffic tickets in drivers (n=295 from Mar del Plata (Argentina city. A self-report questionnaire was applied to assess traffic crash involvement and sociodemographic variables. Dissociative tendencies were assessed by a modified version of the DES scale. To examine differences in DES scores tests of the difference of means were applied. Drivers who reported to be previously involved in traffic incidents obtained higher puntuations in the dissociative experiences scale than drivers who did not report such events. This result is observed for the total scale and for the three sub-scales (absorption, amnesia and depersonalization. However, differences appeared mainly for minor damage collisions. Further studies are needed to evaluate the role of dissociative tendencies as a risk factor in road traffic safety.

  6. Limit on the electric charge of antihydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Capra, A., E-mail: acapra@triumf.ca; Amole, C. [York University, Department of Physics and Astronomy (Canada); Ashkezari, M. D. [Simon Fraser University, Department of Physics (Canada); Baquero-Ruiz, M. [University of California at Berkeley, Department of Physics (United States); Bertsche, W. [University of Manchester, School of Physics and Astronomy (United Kingdom); Butler, E. [Imperial College, Centre for Cold Matter (United Kingdom); Cesar, C. L. [Universidade Federal do Rio de Janeiro, Instituto de Física (Brazil); Charlton, M.; Eriksson, S. [Swansea University, Department of Physics, College of Science (United Kingdom); Fajans, J. [University of California at Berkeley, Department of Physics (United States); Friesen, T. [University of Calgary, Department of Physics and Astronomy (Canada); Fujiwara, M. C.; Gill, D. R. [TRIUMF (Canada); Gutierrez, A. [University of British Columbia, Department of Physics and Astronomy (Canada); Hangst, J. S. [CERN, Physics Department (Switzerland); Hardy, W. N. [University of British Columbia, Department of Physics and Astronomy (Canada); Hayden, M. E. [Simon Fraser University, Department of Physics (Canada); Isaac, C. A. [Swansea University, Department of Physics, College of Science (United Kingdom); Jonsell, S. [Stockholm University, Department of Physics (Sweden); Kurchaninov, L. [TRIUMF (Canada); and others

    2017-11-15

    The ALPHA collaboration has successfully demonstrated the production and the confinement of cold antihydrogen, H̅. An analysis of trapping data allowed a stringent limit to be placed on the electric charge of the simplest antiatom. Charge neutrality of matter is known to a very high precision, hence a neutrality limit of H̅ provides a test of CPT invariance. The experimental technique is based on the measurement of the deflection of putatively charged H̅ in an electric field. The tendency for trapped H̅ atoms to be displaced by electrostatic fields is measured and compared to the results of a detailed simulation of H̅ dynamics in the trap. An extensive survey of the systematic errors was performed, and this work focuses on those due to the silicon vertex detector, which is the device used to determine the H̅ annihilation position. The limit obtained on the charge of the H̅ atom is Q = (−1.3 ± 1.8 ± 0.4) × 10{sup −8}, representing the first precision measurement with H̅ [1].

  7. Electrostatic pickup station

    CERN Multimedia

    CERN PhotoLab

    1982-01-01

    Electrostatic pickup station, with 4 interleaved electrodes, to measure beam position in the horizontal and vertical plane. This type is used in the transfer lines leaving the PS (TT2, TT70, TTL2). See also 7904075.

  8. Electrostatic Levitator Electrode Layout

    Science.gov (United States)

    1998-01-01

    Schematic of Electrostatic Levitator (ESL) electrodes and controls system. The ESL uses static electricity to suspend an object (about 2-3 mm in diameter) inside a vacuum chamber while a laser heats the sample until it melts. This lets scientists record a wide range of physical properties without the sample contacting the container or any instruments, conditions that would alter the readings. The Electrostatic Levitator is one of several tools used in NASA's microgravity materials science program.

  9. Electrostatic Levitator Layout

    Science.gov (United States)

    1998-01-01

    General oayout of Electrostatic Levitator (ESL). The ESL uses static electricity to suspend an object (about 2-3 mm in diameter) inside a vacuum chamber while a laser heats the sample until it melts. This lets scientists record a wide range of physical properties without the sample contacting the container or any instruments, conditions that would alter the readings. The Electrostatic Levitator is one of several tools used in NASA's microgravity materials science program.

  10. Effects of RNA branching on the electrostatic stabilization of viruses

    NARCIS (Netherlands)

    Erdemci-Tandogan, Gonca; Wagner, Jef; Schoot, Paul van der; Podgornik, Rudolf; Zandi, Roya

    2016-01-01

    Many single-stranded (ss) RNA viruses self assemble from capsid protein subunits and the nucleic acid to form an infectious virion. It is believed that the electrostatic interactions between the negatively charged RNA and the positively charged viral capsid proteins drive the encapsidation, although

  11. Stieltjes electrostatic model interpretation for bound state problems

    Indian Academy of Sciences (India)

    In this paper, it is shown that Stieltjes electrostatic model and quantum Hamilton Jacobi formalism are analogous to each other. This analogy allows the bound state problem to mimic as unit moving imaginary charges i ℏ , which are placed in between the two fixed imaginary charges arising due to the classical turning ...

  12. Microencapsulation and Electrostatic Processing Device

    Science.gov (United States)

    Morrison, Dennis R. (Inventor); Mosier, Benjamin (Inventor); Cassanto, John M. (Inventor)

    2001-01-01

    A microencapsulation and electrostatic processing (MEP) device is provided for forming microcapsules. In one embodiment, the device comprises a chamber having a filter which separates a first region in the chamber from a second region in the chamber. An aqueous solution is introduced into the first region through an inlet port, and a hydrocarbon/ polymer solution is introduced into the second region through another inlet port. The filter acts to stabilize the interface and suppress mixing between the two immiscible solutions as they are being introduced into their respective regions. After the solutions have been introduced and have become quiescent, the interface is gently separated from the filter. At this point, spontaneous formation of microcapsules at the interface may begin to occur, or some fluid motion may be provided to induce microcapsule formation. In any case, the fluid shear force at the interface is limited to less than 100 dynes/sq cm. This low-shear approach to microcapsule formation yields microcapsules with good sphericity and desirable size distribution. The MEP device is also capable of downstream processing of microcapsules, including rinsing, re-suspension in tertiary fluids, electrostatic deposition of ancillary coatings, and free-fluid electrophoretic separation of charged microcapsules.

  13. Electrostatically anchored branched brush layers.

    Science.gov (United States)

    Liu, Xiaoyan; Dedinaite, Andra; Rutland, Mark; Thormann, Esben; Visnevskij, Ceslav; Makuska, Ricardas; Claesson, Per M

    2012-11-06

    A novel type of block copolymer has been synthesized. It consists of a linear cationic block and an uncharged bottle-brush block. The nonionic bottle-brush block contains 45 units long poly(ethylene oxide) side chains. This polymer was synthesized with the intention of creating branched brush layers firmly physisorbed to negatively charged surfaces via the cationic block, mimicking the architecture (but not the chemistry) of bottle-brush molecules suggested to be present on the cartilage surface, and contributing to the efficient lubrication of synovial joints. The adsorption properties of the diblock copolymer as well as of the two blocks separately were studied on silica surfaces using quartz crystal microbalance with dissipation monitoring (QCM-D) and optical reflectometry. The adsorption kinetics data highlight that the diblock copolymers initially adsorb preferentially parallel to the surface with both the cationic block and the uncharged bottle-brush block in contact with the surface. However, as the adsorption proceeds, a structural change occurs within the layer, and the PEO bottle-brush block extends toward solution, forming a surface-anchored branched brush layer. As the adsorption plateau is reached, the diblock copolymer layer is 46-48 nm thick, and the water content in the layer is above 90 wt %. The combination of strong electrostatic anchoring and highly hydrated branched brush structures provide strong steric repulsion, low friction forces, and high load bearing capacity. The strong electrostatic anchoring also provides high stability of preadsorbed layers under different ionic strength conditions.

  14. Electrostatic demonstration of free-fall weightlessness

    Science.gov (United States)

    Balukovic, Jasmina; Slisko, Josip; Corona Cruz, Adrian

    2015-05-01

    The phenomena of free-fall weightlessness have been demonstrated to students for many years in a number of different ways. The essential basis of all these demonstrations is the fact that in free-falling, gravitationally accelerated systems, the weight force and weight-related forces (for example, friction and hydrostatic forces) disappear. In this article, an original electrostatic demonstration of weightlessness is presented. A charged balloon fixed at the opening of a plastic container cannot lift a light styrofoam sphere sitting on the bottom when the container is at rest. However, while the system is in free-fall, the sphere becomes weightless and the charged balloon is able to lift it electrostatically.

  15. RNA topology remolds electrostatic stabilization of viruses.

    Science.gov (United States)

    Erdemci-Tandogan, Gonca; Wagner, Jef; van der Schoot, Paul; Podgornik, Rudolf; Zandi, Roya

    2014-03-01

    Simple RNA viruses efficiently encapsulate their genome into a nano-sized protein shell: the capsid. Spontaneous coassembly of the genome and the capsid proteins is driven predominantly by electrostatic interactions between the negatively charged RNA and the positively charged inner capsid wall. Using field theoretic formulation we show that the inherently branched RNA secondary structure allows viruses to maximize the amount of encapsulated genome and make assembly more efficient, allowing viral RNAs to out-compete cellular RNAs during replication in infected host cells.

  16. MAPPING EUROPEAN CAPITAL MARKETS TENDENCIES

    Directory of Open Access Journals (Sweden)

    Andreea Avadanei

    2011-01-01

    Full Text Available The scope of this paper is to analyze the main tendencies influencing European capitalmarkets development. In order to point out their implications, we structured our study onfour chapters. The first one illustrates the consolidation of stock exchanges at the Europeanlevel; the seconds presents some considerations about the deregulation/re-regulation of EUcapital markets; the third section highlights the globalization implications on their evolutionand the fourth one indicates the effects of financial innovation. The progressive integrationof European capital markets over the past decade contributed to the lowering of capital costas a result of increased risk diversification opportunities and reduced transaction costs dueto the specialization of financial system provisions. Moreover, the expansion of thesemarkets improved firms financing decisions, leading to an increased share of non-bankfunding sources.

  17. [New tendencies in hand surgery].

    Science.gov (United States)

    Bíró, Vilmos

    2013-07-07

    The author summarizes the new therapeutic tendencies in hand surgery at the past one and a half decade. He discusses the development of hand surgery, as an independent field, in a form of a short historical summary, then he reviews in detail new therapeutic methods considered important such as rehabilitation procedures after tendon injuries, present position of complete hand transplantation, new operations of regeneration of the injured skin and repair of nerve damages, as well as the conservative therapeutic options of Dupuytren's disease. Finally he outlines the modified, new operative procedures in bone and joint injuries of the hand. He concludes that constant development of hand surgical knowledge will likely result in further novel therapeutic methods.

  18. A non-electrostatic spacer for aerosol delivery

    DEFF Research Database (Denmark)

    Bisgaard, H; Anhøj, J; Klug, B

    1995-01-01

    pressurised metered dose inhaler (p-MDI) to minimise the electrostatic charge on the plastic. The procedure prolonged the half life (t1/2) of the aerosol in the Nebuhaler from nine to 32 seconds. A normal cleaning procedure reduced the aerosol t1/2 back to baseline. The t1/2 of the aerosol in the metal spacer...... younger than 4 years. The improved dose delivery from the small volume non-electrostatic spacer is probably related to the non-electrostatic spacer material and the valves which assured unidirectional airflow from the spacer without adding any dead space in the inspiratory channel. The non-electro-static...

  19. Electrostatic analysis of nanoelectromechanical systems

    Science.gov (United States)

    Xu, Yang

    We present a multiscale method, seamlessly combining semiclassical, effective-mass Schrodinger (EMS), and tight-binding (TB) theories proposed for electrostatic analysis of silicon nanoelectromechanical systems (NEMS). By using appropriate criteria, we identify the physical models that are accurate in each local region. If the local physical model is semiclassical, the charge density is directly computed by the semiclassical theory. If the local physical model is quantum-mechanical (EMS or TB model), the charge density is calculated by using the theory of local density of states (LDOS). The LDOS is efficiently calculated from Green's function by using Haydock's recursion method where the Green's function is expressed as a continued fraction based on the local Hamiltonian. Once the charge density is determined, a Poisson equation is solved self-consistently to determine the electronic properties. The accuracy and efficiency of the multiscale method are demonstrated by considering several NEMS examples. The multiscale method can be used to compute the effect of surface and interior defects such as vacancies and broken bonds on the performance of microelectromechanical systems (MEMS). By combining multiscale electrostatic analysis with mechanical analysis, we compute the capacitance-voltage and pull-in/pull-out voltages of MEMS switches in the presence of defects in the dielectric oxide layer. Our results indicate that both surface and interior defects can change the pull-in/pull-out voltages significantly. These voltage offsets can lead to an eventual failure of the MEMS switches. The self-consistent TB method is used to investigate carbon nanotube (CNT)-based sensors. We compute the screening effects of semiconducting and metallic single-wall carbon nanotubes (SWNTs) when water molecules and various ions pass through the nanotubes. The trajectories of ions and water molecules are obtained from molecular dynamics (MD) simulations. It is shown that metallic SWNTs have

  20. General measure of Enterprising Tendency test

    OpenAIRE

    Caird, Sally

    2013-01-01

    The General measure of Enterprising Tendency test (GET2) is a measure of enterprising tendency developed for educational use and self assessment. It measures five entrepreneurial attributes, namely Need for achievement, Need for Autonomy, Creative Tendency, Calculated Risk taking and Locus of control, providing interpretation for this enterprising attributes. Since 1998 there has been considerable worldwide interest in the test of General Enterprising Tendency (GET test) developed and tested ...

  1. Electrostatic septum, SPS

    CERN Multimedia

    1975-01-01

    To minimize losses during slow extraction towards N- and W-Areas, electrostatic septa in long straight sections 2 an 6 precede the magnetic septa. The 2 electrode plates, visible at the entrance to the septum, provide a vertical electric field to remove the ions created by the circulating beam in the residual gas. Here we see one of the electrostatic septa being assembled by Faustin Emery (left) and Jacques Soubeyran (right), in the clean room of building 867. See also 7501199, 7501201, 7801286 and further explanations there.

  2. Driving electrostatic transducers

    DEFF Research Database (Denmark)

    Nielsen, Dennis; Knott, Arnold; Andersen, Michael A. E.

    2013-01-01

    depended, nonlinear and high bias voltage for linearization) must be developed. This paper analyzes power stages and bias configurations suitable for driving an electrostatic transducer. Measurement results of a 300 V prototype amplifier are shown. Measuring THD across a high impedance source is discussed......Electrostatic transducers represent a very interesting alternative to the traditional inefficient electrodynamic transducers. In order to establish the full potential of these transducers, power amplifiers which fulfill the strict requirements imposed by such loads (high impedance, frequency......, and a high voltage attenuation interface for an audio analyzer is presented. THD below 0:1% is reported....

  3. Exact Partition Function for the Random Walk of an Electrostatic Field

    Directory of Open Access Journals (Sweden)

    Gabriel González

    2017-01-01

    Full Text Available The partition function for the random walk of an electrostatic field produced by several static parallel infinite charged planes in which the charge distribution could be either ±σ is obtained. We find the electrostatic energy of the system and show that it can be analyzed through generalized Dyck paths. The relation between the electrostatic field and generalized Dyck paths allows us to sum overall possible electrostatic field configurations and is used for obtaining the partition function of the system. We illustrate our results with one example.

  4. Electrostatics in Chemistry-Electrostatic Models for Weak Molecular ...

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 12. Electrostatics in Chemistry - Electrostatic Models for Weak Molecular Complexation. Shridhar R Gadre Pravin K Babu. Series Article Volume 4 Issue 12 December 1999 pp 11-20 ...

  5. On the role of electrostatics on protein-protein interactions

    Science.gov (United States)

    Zhang, Zhe; Witham, Shawn; Alexov, Emil

    2011-01-01

    The role of electrostatics on protein-protein interactions and binding is reviewed in this article. A brief outline of the computational modeling, in the framework of continuum electrostatics, is presented and basic electrostatic effects occurring upon the formation of the complex are discussed. The role of the salt concentration and pH of the water phase on protein-protein binding free energy is demonstrated and indicates that the increase of the salt concentration tends to weaken the binding, an observation that is attributed to the optimization of the charge-charge interactions across the interface. It is pointed out that the pH-optimum (pH of optimal binding affinity) varies among the protein-protein complexes, and perhaps is a result of their adaptation to particular subcellular compartment. At the end, the similarities and differences between hetero- and homo-complexes are outlined and discussed with respect to the binding mode and charge complementarity. PMID:21572182

  6. Space charge

    CERN Document Server

    Schindl, Karlheinz

    2005-01-01

    The Coulomb forces between the charged particles of a high-intensity beam in an accelerator create a self-field which acts on the particles inside the beam like a distributed lens, defocusing in both transverse planes. A beam moving with speed n is accompanied by a magnetic field which partially cancels the electrostatic defocusing effect, with complete cancellation at c, the speed of light. The effect of this 'direct space charge' is evaluated for transport lines and synchrotrons where the number of betatron oscillations per machine turn, Q, is reduced by DQ. In a real accelerator, the beam is also influenced by the environment (beam pipe, magnets, etc.) which generates 'indirect' space charge effects. For a smooth and perfectly conducting wall, they can easily be evaluated by introducing image charges and currents. These 'image effects' do not cancel when n approaches c, thus they become dominant for high-energy synchrotrons. Each particle in the beam has its particular incoherent tune Q and incoherent tune...

  7. Electrostatic shielding of transformers

    Energy Technology Data Exchange (ETDEWEB)

    De Leon, Francisco

    2017-11-28

    Toroidal transformers are currently used only in low-voltage applications. There is no published experience for toroidal transformer design at distribution-level voltages. Toroidal transformers are provided with electrostatic shielding to make possible high voltage applications and withstand the impulse test.

  8. Electrostatic pickup station

    CERN Multimedia

    CERN PhotoLab

    1979-01-01

    Electrostatic pickup station, with 4 electrodes, to measure beam position in the horizontal and vertical plane. This type is used in the transfer lines leaving the PS (TT2, TTL2, TT70). See also 8206063, where the electrode shapes are clearly visible.

  9. Electrostatic septum, SPS

    CERN Multimedia

    CERN PhotoLab

    1975-01-01

    To minimize losses during slow extraction towards N- and W-Area, electrostatic septa in long straight sections 2 and 6 precede the magnetic septa. This picture is a detail of 7501199, and shows the suspension of the wires. 7801286 shows a septum in its tank. See also 7501120X.

  10. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 2. Electrostatics in Chemistry - Basic Principles. Shridhar R Gadre Pravin K Bhadane. Series Article Volume 4 Issue 2 February 1999 pp 8-19. Fulltext. Click here to view fulltext PDF. Permanent link:

  11. Electrostatic Method to Measure the Size of the Sprayed Droplets

    Directory of Open Access Journals (Sweden)

    Kuna-Broniowski, M.

    2015-11-01

    Full Text Available In the paper is presented the new method the measurement of the main parameters the atomised stream of liquid. This method base on the measurement of the electric charge carried by water drops charged by high voltage. The electrostatic sensor to measure of the droplets size, is associated with precision mechanic system scanning the sprayed surface. The amplified and conditioned signals from electrostatic sensor are send to the computer system equipped in virtual instrument to analyse the size and spatial distribution of droplets. The virtual instrument control also the scanning system.

  12. Electrostatic septum, SPS

    CERN Multimedia

    1975-01-01

    To minimize losses during slow extraction towards N- and W-Area, electrostatic septa in long straight section 2 and 6 precede the magnetic septa. The 2 electrode plates, visible at the entrance to the septum, establish a vertical electrical field to remove the ions created by the circulating beam in the residual gas. See 7801286 for such a septum in its tank, and 7501201 for a detailed view of the wire suspension. See also 7501120X.

  13. A self-consistent transport model for molecular conduction based on extended Huckel theory with full three-dimensional electrostatics

    DEFF Research Database (Denmark)

    Zahid, F.; Paulsson, Magnus; Polizzi, E.

    2005-01-01

    overlap) method and the electrostatic effects of metallic leads (bias and image charges) are included through a three-dimensional finite element method. This allows us to capture spatial details of the electrostatic potential profile, including effects of charging, screening, and complicated electrode...

  14. Prevalence of Violence Tendency in Adolescents

    OpenAIRE

    Özlem HASKAN AVCI; İbrahim YILDIRIM

    2015-01-01

    The aim of this study is to analyze the extensiveness of violence tendency to depending on individual and family factors in adolescents. For this purpose, information has been collected from 899 high school students educated in state schools located in Adana province. Violence Tendency Scale (VTS) developed by Haskan and Yıldırım (2012) has been used in order to determine the violence tendency levels of the students. The prevalence of students’ tendency has been tested with chi-square. When a...

  15. Electrostatic braiding and homologous pairing of DNA double helices.

    Science.gov (United States)

    Cortini, Ruggero; Kornyshev, Alexei A; Lee, Dominic J; Leikin, Sergey

    2011-08-17

    Homologous pairing and braiding (supercoiling) have crucial effects on genome organization, maintenance, and evolution. Generally, the pairing and braiding processes are discussed in different contexts, independently of each other. However, analysis of electrostatic interactions between DNA double helices suggests that in some situations these processes may be related. Here we present a theory of DNA braiding that accounts for the elastic energy of DNA double helices as well as for the chiral nature of the discrete helical patterns of DNA charges. This theory shows that DNA braiding may be affected, stabilized, or even driven by chiral electrostatic interactions. For example, electrostatically driven braiding may explain the surprising recent observation of stable pairing of homologous double-stranded DNA in solutions containing only monovalent salt. Electrostatic stabilization of left-handed braids may stand behind the chiral selectivity of type II topoisomerases and positive plasmid supercoiling in hyperthermophilic bacteria and archea. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  16. Anionic lipids and the maintenance of membrane electrostatics in eukaryotes.

    Science.gov (United States)

    Platre, Matthieu Pierre; Jaillais, Yvon

    2017-02-01

    A wide range of signaling processes occurs at the cell surface through the reversible association of proteins from the cytosol to the plasma membrane. Some low abundant lipids are enriched at the membrane of specific compartments and thereby contribute to the identity of cell organelles by acting as biochemical landmarks. Lipids also influence membrane biophysical properties, which emerge as an important feature in specifying cellular territories. Such parameters are crucial for signal transduction and include lipid packing, membrane curvature and electrostatics. In particular, membrane electrostatics specifies the identity of the plasma membrane inner leaflet. Membrane surface charges are carried by anionic phospholipids, however the exact nature of the lipid(s) that powers the plasma membrane electrostatic field varies among eukaryotes and has been hotly debated during the last decade. Herein, we discuss the role of anionic lipids in setting up plasma membrane electrostatics and we compare similarities and differences that were found in different eukaryotic cells.

  17. The study of plate-type electrostatic precipitators electrical supplies

    Directory of Open Access Journals (Sweden)

    Gabriel N. Popa

    2005-10-01

    Full Text Available Stricter environmental legislation in many countries is producing standards governing the emission of fine particles to the atmosphere from all sources. The industrial separating particles from process streams have numerous methods with different principles. In electrostatic precipitators is used electrical charge of dust particles.There are many aspects of pollution control in both solid and liquid phase using electrostatic precipitators.The operation of plate-type electrostatic precipitators is closely related to its electrical energization, to obtain high collection efficiency with low electrical energization consumption. The paper analyze the traditional direct current energization, the intermittent energization, the pulse energization and the switched mode at high frequency power supplies of plate-type electrostatic precipitators sections.

  18. Probing infinity in bounded two-dimensional electrostatic systems.

    Science.gov (United States)

    Abutalib, M; Batle, J; Ooi, C H Raymond

    2016-07-01

    The total electrostatic energy of systems of identical particles of equal charge is studied in configurations bounded in space, but divergent in the number of charges. This approach shall guide us to unveil a non-linear, functional form specifying the divergent nature of system energy. We consider fractals to be physical entities, with charges located in their vertices or nodes. This description is interesting since features, such as the corresponding fractal dimension, can characterize the total energy EN. Finally, at local length scales, we describe how energy diverges at charge accumulation points in the fractal, that is, almost everywhere by definition.

  19. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    '\\12 V = o. It can be readily shown that such a V (produced by point charges) cannot exhibit maxima or minima. The point charge representation of molecules, so often used in the literature, thus suffers from a fundamental limitation that it cannot faithfully reproduce the. MESP minima. To summarize, the atomic and molecular ...

  20. Effects of RNA branching on the electrostatic stabilization of viruses

    OpenAIRE

    Erdemci-Tandogan, Gonca; Wagner, Jef; van der Schoot, Paul; Podgornik, Rudolf; Zandi, Roya

    2016-01-01

    Many single-stranded (ss) RNA viruses self assemble from capsid protein subunits and the nucleic acid to form an infectious virion. It is believed that the electrostatic interactions between the negatively charged RNA and the positively charged viral capsid proteins drive the encapsidation, although there is growing evidence that the sequence of the viral RNA also plays a role in packaging. In particular the sequence will determine the possible secondary structures that the ssRNA will take in...

  1. Desensitizing nano powders to electrostatic discharge ignition

    Energy Technology Data Exchange (ETDEWEB)

    Steelman, Ryan [Texas Tech Univ., Lubbock, TX (United States). Dept. of Mechanical Engineering; Clark, Billy [Texas Tech Univ., Lubbock, TX (United States). Dept. of Mechanical Engineering; Pantoya, Michelle L. [Texas Tech Univ., Lubbock, TX (United States). Dept. of Mechanical Engineering; Heaps, Ronald J. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Daniels, Michael A. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-08-01

    Electrostatic discharge (ESD) is a main cause for ignition in powder media ranging from grain silos to fireworks. Nanoscale particles are orders of magnitude more ESD ignition sensitive than their micron scale counterparts. This study shows that at least 13 vol. % carbon nanotubes (CNT) added to nano-aluminum and nano-copper oxide particles (nAl + CuO) eliminates ESD ignition sensitivity. The CNT act as a conduit for electric energy and directs electric charge through the powder to desensitize the reactive mixture to ignition. For nanoparticles, the required CNT concentration for desensitizing ESD ignition acts as a diluent to quench energy propagation.

  2. Colloidal Plasmas: Electrostatic sheath at the boundary of a ...

    Indian Academy of Sciences (India)

    Considering the Boltzmann response of the ions and electrons in plasma dynamics and inertial dynamics of the dust charged grains in a highly collisional dusty plasma, the nature of the electrostatic potential near a boundary is investigated. Based on the fluid approximation, the formation as well as the characteristic ...

  3. Molecular electrostatic potential analysis of non-covalent complexes

    Indian Academy of Sciences (India)

    MP4/Aug-cc-pvDZ level to obtain the basis set super- position error (BSSE). The BSSE-corrected binding energy (Eint) of the complexes is calculated as the dif- ference between the energy of the complexes and their constituent monomers. Molecular electrostatic potential (MESP) arise due to the static charge distribution of ...

  4. Electrostatic Self-Assembly of Polysaccharides into Nanofibers

    DEFF Research Database (Denmark)

    Mendes, Ana Carina Loureiro; Strohmenger, Timm; Goycoolea, Francisco

    2017-01-01

    In this study, the anionic polysaccharide Xanthan gum (X) was mixed with positively charged Chitosan oligomers (ChO), and used as building blocks, to generate novel nanofibers by electrostatic self-assembly in aqueous conditions. Different concentrations, ionic strength and order of mixing of both...

  5. Efficient Algorithms for Electrostatic Interactions Including Dielectric Contrasts

    Directory of Open Access Journals (Sweden)

    Christian Holm

    2013-10-01

    Full Text Available Coarse-grained models of soft matter are usually combined with implicit solvent models that take the electrostatic polarizability into account via a dielectric background. In biophysical or nanoscale simulations that include water, this constant can vary greatly within the system. Performing molecular dynamics or other simulations that need to compute exact electrostatic interactions between charges in those systems is computationally demanding. We review here several algorithms developed by us that perform exactly this task. For planar dielectric surfaces in partial periodic boundary conditions, the arising image charges can be either treated with the MMM2D algorithm in a very efficient and accurate way or with the electrostatic layer correction term, which enables the user to use his favorite 3D periodic Coulomb solver. Arbitrarily-shaped interfaces can be dealt with using induced surface charges with the induced charge calculation (ICC* algorithm. Finally, the local electrostatics algorithm, MEMD(Maxwell Equations Molecular Dynamics, even allows one to employ a smoothly varying dielectric constant in the systems. We introduce the concepts of these three algorithms and an extension for the inclusion of boundaries that are to be held fixed at a constant potential (metal conditions. For each method, we present a showcase application to highlight the importance of dielectric interfaces.

  6. Biomolecular electrostatics and solvation: a computational perspective.

    Science.gov (United States)

    Ren, Pengyu; Chun, Jaehun; Thomas, Dennis G; Schnieders, Michael J; Marucho, Marcelo; Zhang, Jiajing; Baker, Nathan A

    2012-11-01

    An understanding of molecular interactions is essential for insight into biological systems at the molecular scale. Among the various components of molecular interactions, electrostatics are of special importance because of their long-range nature and their influence on polar or charged molecules, including water, aqueous ions, proteins, nucleic acids, carbohydrates, and membrane lipids. In particular, robust models of electrostatic interactions are essential for understanding the solvation properties of biomolecules and the effects of solvation upon biomolecular folding, binding, enzyme catalysis, and dynamics. Electrostatics, therefore, are of central importance to understanding biomolecular structure and modeling interactions within and among biological molecules. This review discusses the solvation of biomolecules with a computational biophysics view toward describing the phenomenon. While our main focus lies on the computational aspect of the models, we provide an overview of the basic elements of biomolecular solvation (e.g. solvent structure, polarization, ion binding, and non-polar behavior) in order to provide a background to understand the different types of solvation models.

  7. Charge density research: from inorganic and molecular materials to proteins

    OpenAIRE

    Lecomte, Claude; Aubert, Emmanuel; Legrand, Vincent; Porcher, Florence; Pillet, Sébastien; Guillot, Benoît; Jelsch, Christian

    2005-01-01

    International audience; This paper intends to present applications of experimental charge density research in physics, chemistry and biology. It describes briefly most methods for modelling the charge density and calculating and analyzing derived properties (electrostatic potential, topological properties). These methods are illustrated through examples ranging from material science and coordination chemistry to biocrystallography, like the estimation of electrostatic energy in a zeolite-like...

  8. Induced Charge Capacitive Deionization

    CERN Document Server

    Rubin, S; Biesheuvel, P M; Bercovici, M

    2016-01-01

    We demonstrate the phenomenon of induced-charge capacitive deionization (ICCDI) that occurs around a porous and conducting particle immersed in an electrolyte, under the action of an external electrostatic field. The external electric field induces an electric dipole in the porous particle, leading to capacitive charging of its volume by both cations and anions at opposite poles. This regime is characterized both by a large RC charging time and a small electrochemical charge relaxation time, which leads to rapid and significant deionization of ionic species from a volume which is on the scale of the particle. We show by theory and experiment that the transient response around a cylindrical particle results in spatially non-uniform charging and non-steady growth of depletion regions which emerge around the particle's poles. Potentially, ICCDI can be useful in applications where fast concentration changes of ionic species are required over large volumes.

  9. Long-range electrostatic screening in ionic liquids.

    Science.gov (United States)

    Gebbie, Matthew A; Dobbs, Howard A; Valtiner, Markus; Israelachvili, Jacob N

    2015-06-16

    Electrolyte solutions with high concentrations of ions are prevalent in biological systems and energy storage technologies. Nevertheless, the high interaction free energy and long-range nature of electrostatic interactions makes the development of a general conceptual picture of concentrated electrolytes a significant challenge. In this work, we study ionic liquids, single-component liquids composed solely of ions, in an attempt to provide a novel perspective on electrostatic screening in very high concentration (nonideal) electrolytes. We use temperature-dependent surface force measurements to demonstrate that the long-range, exponentially decaying diffuse double-layer forces observed across ionic liquids exhibit a pronounced temperature dependence: Increasing the temperature decreases the measured exponential (Debye) decay length, implying an increase in the thermally driven effective free-ion concentration in the bulk ionic liquids. We use our quantitative results to propose a general model of long-range electrostatic screening in ionic liquids, where thermally activated charge fluctuations, either free ions or correlated domains (quasiparticles), take on the role of ions in traditional dilute electrolyte solutions. This picture represents a crucial step toward resolving several inconsistencies surrounding electrostatic screening and charge transport in ionic liquids that have impeded progress within the interdisciplinary ionic liquids community. More broadly, our work provides a previously unidentified way of envisioning highly concentrated electrolytes, with implications for diverse areas of inquiry, ranging from designing electrochemical devices to rationalizing electrostatic interactions in biological systems.

  10. Enhanced protein steering: cooperative electrostatic and van der Waals forces in antigen-antibody complexes.

    Science.gov (United States)

    Persson, Björn A; Jönsson, Bo; Lund, Mikael

    2009-07-30

    We study the association of the cationic protein lysozyme with several almost neutral protein fragments but with highly uneven charge distributions. Using mesoscopic protein models, we show how electrostatic interactions can align or steer protein complexes into specific constellations dictated by the specific charge distributions of the interacting biomolecules. Including van der Waals forces significantly amplifies the electrostatically induced orientational steering at physiological solution conditions, demonstrating that different intermolecular interactions can work in a cooperative way in order to optimize specific biochemical mechanisms. Individually, the electrostatic and van der Waals interactions lead only to a relatively weak intermolecular alignment, but when combined, the effect increases significantly.

  11. Electrostatic self-assembly of biomolecules

    Science.gov (United States)

    Olvera de La Cruz, Monica

    2015-03-01

    Charged filaments and membranes are natural structures abundant in cell media. In this talk we discuss the assembly of amphiphiles into biocompatible fibers, ribbons and membranes. We describe one- and two-dimensional assemblies that undergo re-entrant transitions in crystalline packing in response to changes in the solution pH and/or salt concentration resulting in different mesoscale morphologies and properties. In the case of one-dimensional structures, we discuss self-assembled amphiphiles into highly charged nanofibers in water that order into two-dimensional crystals. These fibers of about 6 nm cross-sectional diameter form crystalline arrays with inter-fiber spacings of up to 130 nm. Solution concentration and temperature can be adjusted to control the inter-fiber spacings. The addition of salt destroys crystal packing, indicating that electrostatic repulsions are necessary for the observed ordering. We describe the crystallization of bundles of filament networks interacting via long-range repulsions in confinement by a phenomenological model. Two distinct crystallization mechanisms in the short and large screening length regimes are discussed and the phase diagram is obtained. Simulation of large bundles predicts the existence of topological defects among bundled filaments. Crystallization processes driven by electrostatic attractions are also discussed. Funded by Center for Bio-Inspired Energy Science (CBES), which is an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0000989.

  12. Cartilage-targeting drug delivery: can electrostatic interactions help?

    Science.gov (United States)

    Bajpayee, Ambika G; Grodzinsky, Alan J

    2017-03-01

    Current intra-articular drug delivery methods do not guarantee sufficient drug penetration into cartilage tissue to reach cell and matrix targets at the concentrations necessary to elicit the desired biological response. Here, we provide our perspective on the utilization of charge-charge (electrostatic) interactions to enhance drug penetration and transport into cartilage, and to enable sustained binding of drugs within the tissue's highly negatively charged extracellular matrix. By coupling drugs to positively charged nanocarriers that have optimal size and charge, cartilage can be converted from a drug barrier into a drug reservoir for sustained intra-tissue delivery. Alternatively, a wide variety of drugs themselves can be made cartilage-penetrating by functionalizing them with specialized positively charged protein domains. Finally, we emphasize that appropriate animal models, with cartilage thickness similar to that of humans, must be used for the study of drug transport and retention in cartilage.

  13. The Role of the Electrostatic Force in Spore Adhesion

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Eunhyea [Georgia Institute of Technology; Yiacoumi, Sotira [Georgia Institute of Technology; Lee, Ida [University of Tennessee, Knoxville (UTK); Tsouris, Costas [ORNL

    2010-01-01

    Electrostatic force is investigated as one of the components of the adhesion force between Bacillus thuringiensis (Bt) spores and planar surfaces. The surface potentials of a Bt spore and a mica surface are experimentally obtained using a combined atomic force microscopy (AFM)-scanning surface potential microscopy technique. On the basis of experimental information, the surface charge density of the spores is estimated at 0.03 {micro}C/cm{sup 2} at 20% relative humidity and decreases with increasing humidity. The Coulombic force is introduced for the spore-mica system (both charged, nonconductive surfaces), and an electrostatic image force is introduced to the spore-gold system because gold is electrically conductive. The Coulombic force for spore-mica is repulsive because the components are similarly charged, while the image force for the spore-gold system is attractive. The magnitude of both forces decreases with increasing humidity. The electrostatic forces are added to other force components, e.g., van der Waals and capillary forces, to obtain the adhesion force for each system. The adhesion forces measured by AFM are compared to the estimated values. It is shown that the electrostatic (Coulombic and image) forces play a significant role in the adhesion force between spores and planar surfaces.

  14. Improving the treatment of coarse-grain electrostatics: CVCEL.

    Science.gov (United States)

    Ceres, N; Lavery, R

    2015-12-28

    We propose an analytic approach for calculating the electrostatic energy of proteins or protein complexes in aqueous solution. This method, termed CVCEL (Circular Variance Continuum ELectrostatics), is fitted to Poisson calculations and is able to reproduce the corresponding energies for different choices of solute dielectric constant. CVCEL thus treats both solute charge interactions and charge self-energies, and it can also deal with salt solutions. Electrostatic damping notably depends on the degree of solvent exposure of the charges, quantified here in terms of circular variance, a measure that reflects the vectorial distribution of the neighbors around a given center. CVCEL energies can be calculated rapidly and have simple analytical derivatives. This approach avoids the need for calculating effective atomic volumes or Born radii. After describing how the method was developed, we present test results for coarse-grain proteins of different shapes and sizes, using different internal dielectric constants and different salt concentrations and also compare the results with those from simple distance-dependent models. We also show that the CVCEL approach can be used successfully to calculate the changes in electrostatic energy associated with changes in protein conformation or with protein-protein binding.

  15. Improving the treatment of coarse-grain electrostatics: CVCEL

    Energy Technology Data Exchange (ETDEWEB)

    Ceres, N.; Lavery, R., E-mail: richard.lavery@ibcp.fr [Bioinformatics: Structures and Interactions, Institut de Biologie et Chimie des Protéines, BMSSI UMR CNRS 5086/Université Lyon I, 7 Passage du Vercors, Lyon 69367 (France)

    2015-12-28

    We propose an analytic approach for calculating the electrostatic energy of proteins or protein complexes in aqueous solution. This method, termed CVCEL (Circular Variance Continuum ELectrostatics), is fitted to Poisson calculations and is able to reproduce the corresponding energies for different choices of solute dielectric constant. CVCEL thus treats both solute charge interactions and charge self-energies, and it can also deal with salt solutions. Electrostatic damping notably depends on the degree of solvent exposure of the charges, quantified here in terms of circular variance, a measure that reflects the vectorial distribution of the neighbors around a given center. CVCEL energies can be calculated rapidly and have simple analytical derivatives. This approach avoids the need for calculating effective atomic volumes or Born radii. After describing how the method was developed, we present test results for coarse-grain proteins of different shapes and sizes, using different internal dielectric constants and different salt concentrations and also compare the results with those from simple distance-dependent models. We also show that the CVCEL approach can be used successfully to calculate the changes in electrostatic energy associated with changes in protein conformation or with protein-protein binding.

  16. Epithelial microvilli establish an electrostatic barrier to microbial adhesion.

    Science.gov (United States)

    Bennett, Kaila M; Walker, Sharon L; Lo, David D

    2014-07-01

    Microvilli are membrane extensions on the apical surface of polarized epithelia, such as intestinal enterocytes and tubule and duct epithelia. One notable exception in mucosal epithelia is M cells, which are specialized for capturing luminal microbial particles; M cells display a unique apical membrane lacking microvilli. Based on studies of M cell uptake under different ionic conditions, we hypothesized that microvilli may augment the mucosal barrier by providing an increased surface charge density from the increased membrane surface and associated glycoproteins. Thus, electrostatic charges may repel microbes from epithelial cells bearing microvilli, while M cells are more susceptible to microbial adhesion. To test the role of microvilli in bacterial adhesion and uptake, we developed polarized intestinal epithelial cells with reduced microvilli ("microvillus-minus," or MVM) but retaining normal tight junctions. When tested for interactions with microbial particles in suspension, MVM cells showed greatly enhanced adhesion and uptake of particles compared to microvillus-positive cells. This preference showed a linear relationship to bacterial surface charge, suggesting that microvilli resist binding of microbes by using electrostatic repulsion. Moreover, this predicts that pathogen modification of electrostatic forces may contribute directly to virulence. Accordingly, the effacement effector protein Tir from enterohemorrhagic Escherichia coli O157:H7 expressed in epithelial cells induced a loss of microvilli with consequent enhanced microbial binding. These results provide a new context for microvillus function in the host-pathogen relationship, based on electrostatic interactions. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

  17. An Electrostatic Precipitator System for the Martian Environment

    Science.gov (United States)

    Calle, C. I.; Mackey, P. J.; Hogue, M. D.; Johansen, M. R.; Phillips, J. R., III; Clements, J. S.

    2012-01-01

    Human exploration missions to Mars will require the development of technologies for the utilization of the planet's own resources for the production of commodities. However, the Martian atmosphere contains large amounts of dust. The extraction of commodities from this atmosphere requires prior removal of this dust. We report on our development of an electrostatic precipitator able to collect Martian simulated dust particles in atmospheric conditions approaching those of Mars. Extensive experiments with an initial prototype in a simulated Martian atmosphere showed efficiencies of 99%. The design of a second prototype with aerosolized Martian simulated dust in a flow-through is described. Keywords: Space applications, electrostatic precipitator, particle control, particle charging

  18. Potential Polymeric Sphere Construction Materials for a Spacecraft Electrostatic Shield

    Science.gov (United States)

    Smith, Joseph G., Jr.; Smith, Trent; Williams, Martha; Youngquist, Robert; Mendell, Wendell

    2006-01-01

    An electrostatic shielding concept for spacecraft radiation protection under NASA s Exploration Systems Research and Technology Program was evaluated for its effectiveness and feasibility. The proposed shield design is reminiscent of a classic quadrupole with positively and negatively charged spheres surrounding the spacecraft. The project addressed materials, shield configuration, power supply, and compared its effectiveness to that of a passive shield. The report herein concerns the identification of commercially available materials that could be used in sphere fabrication. It was found that several materials were needed to potentially construct the spheres for an electrostatic shield operating at 300 MV.

  19. Electrostatics, structure prediction, and the energy landscapes for protein folding and binding.

    Science.gov (United States)

    Tsai, Min-Yeh; Zheng, Weihua; Balamurugan, D; Schafer, Nicholas P; Kim, Bobby L; Cheung, Margaret S; Wolynes, Peter G

    2016-01-01

    While being long in range and therefore weakly specific, electrostatic interactions are able to modulate the stability and folding landscapes of some proteins. The relevance of electrostatic forces for steering the docking of proteins to each other is widely acknowledged, however, the role of electrostatics in establishing specifically funneled landscapes and their relevance for protein structure prediction are still not clear. By introducing Debye-Hückel potentials that mimic long-range electrostatic forces into the Associative memory, Water mediated, Structure, and Energy Model (AWSEM), a transferable protein model capable of predicting tertiary structures, we assess the effects of electrostatics on the landscapes of thirteen monomeric proteins and four dimers. For the monomers, we find that adding electrostatic interactions does not improve structure prediction. Simulations of ribosomal protein S6 show, however, that folding stability depends monotonically on electrostatic strength. The trend in predicted melting temperatures of the S6 variants agrees with experimental observations. Electrostatic effects can play a range of roles in binding. The binding of the protein complex KIX-pKID is largely assisted by electrostatic interactions, which provide direct charge-charge stabilization of the native state and contribute to the funneling of the binding landscape. In contrast, for several other proteins, including the DNA-binding protein FIS, electrostatics causes frustration in the DNA-binding region, which favors its binding with DNA but not with its protein partner. This study highlights the importance of long-range electrostatics in functional responses to problems where proteins interact with their charged partners, such as DNA, RNA, as well as membranes. © 2015 The Protein Society.

  20. Miniature Bipolar Electrostatic Ion Thruster

    Science.gov (United States)

    Hartley, Frank T.

    2006-01-01

    The figure presents a concept of a bipolar miniature electrostatic ion thruster for maneuvering a small spacecraft. The ionization device in the proposed thruster would be a 0.1-micron-thick dielectric membrane with metal electrodes on both sides. Small conical holes would be micromachined through the membrane and electrodes. An electric potential of the order of a volt applied between the membrane electrodes would give rise to an electric field of the order of several mega-volts per meter in the submicron gap between the electrodes. An electric field of this magnitude would be sufficient to ionize all the molecules that enter the holes. In a thruster-based on this concept, one or more propellant gases would be introduced into such a membrane ionizer. Unlike in larger prior ion thrusters, all of the propellant molecules would be ionized. This thruster would be capable of bipolar operation. There would be two accelerator grids - one located forward and one located aft of the membrane ionizer. In one mode of operation, which one could denote the forward mode, positive ions leaving the ionizer on the backside would be accelerated to high momentum by an electric field between the ionizer and an accelerator grid. Electrons leaving the ionizer on the front side would be ejected into free space by a smaller accelerating field. The equality of the ion and electron currents would eliminate the need for an additional electron- or ion-emitting device to keep the spacecraft charge-neutral. In another mode of operation, which could denote the reverse mode, the polarities of the voltages applied to the accelerator grids and to the electrodes of the membrane ionizer would be the reverse of those of the forward mode. The reversal of electric fields would cause the ion and electrons to be ejected in the reverse of their forward mode directions, thereby giving rise to thrust in the direction opposite that of the forward mode.

  1. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    intermolecular complexation) was developed a few years ago by the authors' group. This is designed to make use of the ab initio wave functions of molecules in the complex. The ab initio electro- static interaction energy between two molecules is obtained on integrating the product of charge distribution of one species with.

  2. The role of electrostatic interactions in human serum albumin binding and stabilization by halothane.

    Science.gov (United States)

    Liu, Renyu; Pidikiti, Ravindernath; Ha, Chung-Eun; Petersen, Charles E; Bhagavan, Nadhipuram V; Eckenhoff, Roderic G

    2002-09-27

    Electrostatic interactions have been proposed as a potentially important force for anesthetics and protein binding but have not yet been tested directly. In the present study, we used wild-type human serum albumin (HSA) and specific site-directed mutants as a native protein model to investigate the role of electrostatic interactions in halothane binding. Structural geometry analysis of the HSA-halothane complex predicted an absence of significant electrostatic interactions, and direct binding (tryptophan fluorescence and zonal elution chromatography) and stability experiments (hydrogen exchange) confirmed that loss of charge in the binding sites, by charged to uncharged mutations and by changing ionic strength of the buffer, generally increased both regional (tryptophan region) and global halothane/HSA affinity. The results indicate that electrostatic interactions (full charges) either do not contribute or diminish halothane binding to HSA, leaving only the more general hydrophobic and van der Waals forces as the major contributors to the binding interaction.

  3. The effect of electrostatic shielding using invisibility cloak

    Directory of Open Access Journals (Sweden)

    Ruo-Yang Zhang

    2011-12-01

    Full Text Available The effect of electrostatic shielding for a spherical invisibility cloak with arbitrary charges inside is investigated. Our result reveals that the charge inside the cloak is a crucial factor to determine the detection. When charged bodies are placed inside the cloak with an arbitrary distribution, the electric fields outside are purely determined by the total charges just as the fields of a point charge at the center of the cloak. As the total charges reduce to zero, the bodies can not be detected. On the other hand, if the total charges are nonzero, the electrostatic potential inside an ideal cloak tends to infinity. For unideal cloaks, this embarrassment is overcome, while they still have good behaviors of shielding. In addition, the potential across the inner surface of an ideal cloak is discontinuous due to the infinite polarization of the dielectric, however it can be alternatively interpreted as the dual Meissner effect of a dual superconductive layer with a surface magnetic current.

  4. Using visualizations to teach electrostatics

    Science.gov (United States)

    Casperson, Janet M.; Linn, Marcia C.

    2006-04-01

    We investigate the effect of visualizations of electrostatics phenomena on students' ability to integrate microscopic and macroscopic views of electrostatics in the context of a technology-enhanced inquiry project that features particle interactions. We used knowledge integration instructional design patterns to determine activity sequences. A pretest/post-test design was used to assess the students' overall gains. The results from the implementation of the project in two classes demonstrate that it helped students form a more integrated understanding of electrostatics. An analysis of student responses to prompts embedded with the visualizations reveals that interactions with the visualizations played a significant role in increasing understanding.

  5. Electrical operation of electrostatic precipitators

    CERN Document Server

    Parker, Ken

    2003-01-01

    The electrostatic precipitator remains on of the most cost effective means of controlling the emission of particulates from most industrial processes. This book will be of interest to both users and suppliers of electrostatic precipitators as well as advanced students on environmental based courses. The author identifies the physical and engineering basis for the development of electrical equipment for electrostatic precipitators and thoroughly explores the technological factors which optimize the efficiency of the precipitator and hence minimize emissions, as well as future developments in th

  6. Aspects of electrostatics in a weak gravitational field

    Science.gov (United States)

    Padmanabhan, Hamsa; Padmanabhan, T.

    2010-05-01

    Several features of electrostatics of point charged particles in a weak, homogeneous, gravitational field are discussed using the Rindler metric to model the gravitational field. Some previously known results are obtained by simpler and more transparent procedures and are interpreted in an intuitive manner. Specifically: (a) We discuss possible definitions of the electric field in curved spacetime (and noninertial frames), argue in favour of a specific definition for the electric field and discuss its properties. (b) We show that the electrostatic potential of a charge at rest in the Rindler frame (which is known and is usually expressed as a complicated function of the coordinates) is expressible as A 0 = q/ λ where λ is the affine parameter distance along the null geodesic from the charge to the field point. (c) This relates well with the result that the electric field lines of a charge coincide with the null geodesics; that is, both light and the electric field lines ‘bend’ in the same manner in a weak gravitational field. We provide a simple proof for this result as well as for the fact that the null geodesics (and field lines) are circles in space. (d) We obtain the sum of the electrostatic forces exerted by one charge on another in the Rindler frame and discuss its interpretation. In particular, we compare the results in the Rindler frame and in the inertial frame and discuss their consistency. (e) We show how a purely electrostatic term in the Rindler frame appears as a radiation term in the inertial frame. (In part, this arises because charges at rest in a weak gravitational field possess additional weight due to their electrostatic energy. This weight is proportional to the acceleration and falls inversely with distance—which are the usual characteristics of a radiation field.) (f) We also interpret the origin of the radiation reaction term by extending our approach to include a slowly varying acceleration. Many of these results might have possible

  7. Electrostatics in wormhole spacetimes

    Directory of Open Access Journals (Sweden)

    B. Nasr Esfahani

    2003-06-01

    Full Text Available   Regarding the static form of Maxwell’s equations in wormhole background geometry, we obtain a generalised form of Laplace’s equation. Because of peculiar geometry of the throat, lines of force that enter the wormhole at one mouth and emerge from the other, initially converge and then diverge. So, for a remote observer the wormhole can act as a charge distribution that modifies the potential, mainly around the throat. Here, the exact solutions for the potential are obtained and by considering an equivalent dielectric media and finding polarisation charge distributions the effect of the wormhole geometry on the potential is justified. It is assumed that real sources of the potential are distributed far from the throat and do not contribute to the stress-energy tensor of the wormhole.

  8. Development tendencies of moulding and core sands

    Directory of Open Access Journals (Sweden)

    Stanislaw M. Dobosz1

    2011-11-01

    Full Text Available Further development of the technology for making moulding and core sands will be strictly limited by tough requirements due to protection of the natural environment. These tendencies are becoming more and more tense, so that we will reach a point when even processes, that from technological point of view fulfill high requirements of the foundry industry, must be replaced by more ecologically-friendly solutions. Hence, technologies using synthetic resins as binding materials will be limited. This paper presents some predictable development tendencies of moulding and core sands. The increasing role of inorganic substances will be noticed, including silicate binders with significantly improved properties, such as improved knock-out property or higher reclamation strength. Other interesting solutions might also be moulding sands bonded by geo-polymers and phosphate binders or salts and also binders based on degradable biopolymers. These tendencies and the usefulness of these binders are put forward in this paper.

  9. Clustering of HIV-1 Subtypes Based on gp120 V3 Loop electrostatic properties

    Directory of Open Access Journals (Sweden)

    López de Victoria Aliana

    2012-02-01

    Full Text Available Abstract Background The V3 loop of the glycoprotein gp120 of HIV-1 plays an important role in viral entry into cells by utilizing as coreceptor CCR5 or CXCR4, and is implicated in the phenotypic tropisms of HIV viruses. It has been hypothesized that the interaction between the V3 loop and CCR5 or CXCR4 is mediated by electrostatics. We have performed hierarchical clustering analysis of the spatial distributions of electrostatic potentials and charges of V3 loop structures containing consensus sequences of HIV-1 subtypes. Results Although the majority of consensus sequences have a net charge of +3, the spatial distribution of their electrostatic potentials and charges may be a discriminating factor for binding and infectivity. This is demonstrated by the formation of several small subclusters, within major clusters, which indicates common origin but distinct spatial details of electrostatic properties. Some of this information may be present, in a coarse manner, in clustering of sequences, but the spatial details are largely lost. We show the effect of ionic strength on clustering of electrostatic potentials, information that is not present in clustering of charges or sequences. We also make correlations between clustering of electrostatic potentials and net charge, coreceptor selectivity, global prevalence, and geographic distribution. Finally, we interpret coreceptor selectivity based on the N6X7T8|S8X9 sequence glycosylation motif, the specific positive charge location according to the 11/24/25 rule, and the overall charge and electrostatic potential distribution. Conclusions We propose that in addition to the sequence and the net charge of the V3 loop of each subtype, the spatial distributions of electrostatic potentials and charges may also be important factors for receptor recognition and binding and subsequent viral entry into cells. This implies that the overall electrostatic potential is responsible for long-range recognition of the V3

  10. Electrostatic beam-position monitor

    CERN Multimedia

    CERN PhotoLab

    1969-01-01

    Electrostatic beam-position monitor installed in its final location (bake-out cover removed). The ISR will contain about 110 of these monitors. Their accuracy is better than 1 mm, their band width about 1 MHz.

  11. Electrostatic precipitators for industrial applications

    CERN Document Server

    Francis, Steve L; Bradburn, Keith M

    2014-01-01

    This Guidebook provides basic knowledge of the physics and power supplies of electrostatic precipitators. It also deals with practical aspects of ESP design and gives examples of typical applications of ESPs.

  12. PHEPS: web-based pH-dependent Protein Electrostatics Server

    Science.gov (United States)

    Kantardjiev, Alexander A.; Atanasov, Boris P.

    2006-01-01

    PHEPS (pH-dependent Protein Electrostatics Server) is a web service for fast prediction and experiment planning support, as well as for correlation and analysis of experimentally obtained results, reflecting charge-dependent phenomena in globular proteins. Its implementation is based on long-term experience (PHEI package) and the need to explain measured physicochemical characteristics at the level of protein atomic structure. The approach is semi-empirical and based on a mean field scheme for description and evaluation of global and local pH-dependent electrostatic properties: protein proton binding; ionic sites proton population; free energy electrostatic term; ionic groups proton affinities (pKa,i) and their Coulomb interaction with whole charge multipole; electrostatic potential of whole molecule at fixed pH and pH-dependent local electrostatic potentials at user-defined set of points. The speed of calculation is based on fast determination of distance-dependent pair charge-charge interactions as empirical three exponential function that covers charge–charge, charge–dipole and dipole–dipole contributions. After atomic coordinates input, all standard parameters are used as defaults to facilitate non-experienced users. Special attention was given to interactive addition of non-polypeptide charges, extra ionizable groups with intrinsic pKas or fixed ions. The output information is given as plain-text, readable by ‘RasMol’, ‘Origin’ and the like. The PHEPS server is accessible at . PMID:16845042

  13. Dispersive FDTD analysis of induced electric field in human models due to electrostatic discharge.

    Science.gov (United States)

    Hirata, Akimasa; Nagai, Toshihiro; Koyama, Teruyoshi; Hattori, Junya; Chan, Kwok Hung; Kavet, Robert

    2012-07-07

    Contact currents flow from/into a charged human body when touching a grounded conductive object. An electrostatic discharge (ESD) or spark may occur just before contact or upon release. The current may stimulate muscles and peripheral nerves. In order to clarify the difference in the induced electric field between different sized human models, the in-situ electric fields were computed in anatomically based models of adults and a child for a contact current in a human body following ESD. A dispersive finite-difference time-domain method was used, in which biological tissue is assumed to obey a four-pole Debye model. From our computational results, the first peak of the discharge current was almost identical across adult and child models. The decay of the induced current in the child was also faster due mainly to its smaller body capacitance compared to the adult models. The induced electric fields in the forefingers were comparable across different models. However, the electric field induced in the arm of the child model was found to be greater than that in the adult models primarily because of its smaller cross-sectional area. The tendency for greater doses in the child has also been reported for power frequency sinusoidal contact current exposures as reported by other investigators.

  14. Space-charge limited photocurrent

    NARCIS (Netherlands)

    Mihailetchi, VD; Wildeman, J; Blom, PWM

    2005-01-01

    In 1971 Goodman and Rose predicted the occurrence of a fundamental electrostatic limit for the photocurrent in semiconductors at high light intensities. Blends of conjugated polymers and fullerenes are an ideal model system to observe this space-charge limit experimentally, since they combine an

  15. Electrostatic interactions in cations and their importance in biology and chemistry.

    Science.gov (United States)

    Smith, Deborah M; Woerpel, K A

    2006-04-07

    Electrostatic effects exert strongly stabilizing influences on cations, in many cases controlling the conformational preferences of these cations. The lowest energy conformers are ones where the positive charge is brought closest to substituents bearing partial negative charges. These conformational biases, along with stereoelectronic effects, can control the stereoselectivity of reactions involving carbocationic intermediates.

  16. Piecewise Tendency Diagnosis of Weather Regime Transitions.

    Science.gov (United States)

    Evans, Katherine J.; Black, Robert X.

    2003-08-01

    Piecewise tendency diagnosis (PTD) is extended and employed to study the dynamics of weather regime transitions. Originally developed for adiabatic and inviscid quasigeostrophic flow on a beta plane, PTD partitions local geopotential tendencies into a linear combination of dynamically meaningful source terms within a potential vorticity (PV) framework. Here PTD is amended to account for spherical geometry, diabatic heating, and ageostrophic processes, and is then used to identify the primary mechanisms responsible for Northern Hemisphere weather regime transitions.Height tendency patterns obtained by summing the contributions of individual PTD forcing terms correspond very well to actual height tendencies. Composite PTD analyses reveal that linear PV advections provide the largest dynamical forcing for the weather regime development over the North Pacific. Specifically, linear baroclinic growth provides the primary forcing while barotropic deformation of PV anomalies provides a secondary contribution. North Atlantic anticyclonic anomalies develop from the combined effects of barotropic deformation, baroclinic growth, and nonlinear eddy feedback. The Atlantic cyclonic cases develop primarily from barotropic deformation and nonlinear eddy feedback. All four weather regime types decay primarily due to enhanced wave energy propagation away from the primary circulation anomaly. In some cases, regime decay is aided by decreasing positive contributions from barotropic deformation as the circulation anomaly attains a deformed horizontal shape. The current results 1) provide quantitative measures of the primary mechanisms responsible for weather regime transition and 2) demonstrate the utility of the extended PTD as a concise diagnostic paradigm for studying large-scale dynamical processes in the midlatitude troposphere.

  17. Factors Influencing Cheating Tendency in Examinations Among ...

    African Journals Online (AJOL)

    The result of the analysis revealed that self-concept, Intelligence, moral value and test anxiety significantly influence students' tendency to be involved in examination malpractice. Based on the findings of the study, it was recommended that parents and lecturers should endeavour to build good moral in their students so that ...

  18. Psychosocial Factors Predicting School Violence Tendencies ...

    African Journals Online (AJOL)

    Results indicated that all the Psychological variables (Self efficacy, social competence and Socialization) showed significant joint prediction of school violence tendency among students of tertiary institution in 50% of the cases. Age groups, religion as well as sex were also found to have significant influence on school ...

  19. Suicidal Tendency Among Adolescents With Adjustment Disorder.

    Science.gov (United States)

    Ferrer, Laia; Kirchner, Teresa

    2015-01-01

    Adolescents with adjustment disorder (AD) are at risk of presenting suicidal symptoms. Certain personality traits are linked to suicidal tendencies. There is a lack of information about the link between suicide and personality patterns in adolescents with AD. To identify the personality characteristics that predispose to or prevent the development of suicidal ideation and behavior among adolescents with AD. We recruited 108 adolescents with AD at a public mental health center near Barcelona (Spain). They were administered the Inventario de Riesgo Suicida para Adolescentes (IRIS) to assess suicidal symptoms, as well as the Millon Adolescent Clinical Inventory (MACI) and the 16PF Adolescent Personality Questionnaire (16PF-APQ) to appraise personality features. Doleful personality emerged as the principal risk for suicidal symptoms. The conforming personality pattern exerted a protective effect, and emotional stability was associated with low levels of suicidal tendencies. Among the Big Five factors, anxiety had the highest explanatory power for suicidal tendencies. Certain personality characteristics are associated with heightened or reduced risk of suicidal tendencies in adolescents with AD. Their identification is important for clinicians designing treatment programs for these patients.

  20. Critical Thinking Tendencies among Teacher Candidates

    Science.gov (United States)

    Genc, Salih Zeki

    2008-01-01

    The study aims to determine critical thinking tendencies among teacher candidates. 720 students from primary school teaching department (Primary School Teaching Programme, Science Teaching Programme and Pre-School Teaching Programme) form the sample of the study. When the gender and age distributions were investigated, 253 candidates are males and…

  1. Current integrator for calibration system of energy scale of electrostatic accelerator

    CERN Document Server

    Nagornyj, A G

    2002-01-01

    To calibrate energy scale of electrostatic accelerator one designed a current integrator based on a reference charge equalizing. Current integrator measures positive charge coming to the target at its bombardment by a particle beam via charge transformation into number of pulses. Paper describes a basic diagram of integrator and lists its basic characteristics. Current integrator operates within 10 nA - 30 mu A current range. Its transformation factor is equal to 10 sup 9 pulses/C, while transformation error is maximum 1.2x10 sup - sup 1 sup 2 A/deg C. Current integrator showed stable operation with 2 MeV small-scale electrostatic accelerator

  2. Electrostatic Properties of Selected Personal Protective Equipment Regarding Explosion Hazard

    Directory of Open Access Journals (Sweden)

    Marcin Jachowicz

    2013-01-01

    Full Text Available In industries such as the mining, petrochemistry or power industries, personal protective equipment is often used in explosive atmospheres. What causes the occurrence of explosive hazards is ever-present in the work environment they include, electrostatic phenomena as well as the build-up of electrical charges on the surface of the protective equipment used. This paper presents the results of studies which were aimed at determining the fundamental electrostatic parameters of protective helmets as well as eye and face protection, surface resistance and the voltage of electrostatic fields. Examinations on the typical structure of the above mentioned equipment was conducted including the variable values of ambient humidity, which can occur in the working environment and with the use of various types of materials used to generate a charge. The adopted methods and testing equipment have been presented. Using the current, general requirements regarding the electrostatic properties of materials, the examined helmets and eye protection were assessed for their use in explosive atmospheres.

  3. Comparison of electrostatic versus nonelectrostatic ULV sprays of Aqua Reslin against Anopheles quadrimaculatus adults.

    Science.gov (United States)

    Ham, C M; Brown, J R; Musser, R O; Rutledge, C R; Meisch, M V

    1999-09-01

    An electrostatic truck-mounted spray system (Spectrum, Houston, TX) and a nonelectrostatic spray system (Micro-Gen G-4, San Antonio, TX) were tested to determine the feasibility of electrostatically charging Aqua Reslin, a water-based permethrin insecticide, and ascertain whether an electrostatic charge would increase the efficiency of Aqua Reslin against Anopheles quadrimaculatus adults. Parameters tested for both machines included mean mass median diameter (MMD) of droplets, number of drops per cm2, and posttreatment percent mortality at 1, 12, and 24 h. Results indicated that the electrostatically charged droplets produced greater mortality at each distance and hour posttreatment. Correlation coefficients and linear equations were calculated for distance-mortality, MMD-mortality, drops per cm2-mortality, distance-drops per cm2, distance-MMD, and MMD-drops per cm2. Results indicated that the electrostatic drops demonstrated strong correlations between each paired variable, whereas the nonelectrostatic drops showed poor correlation between drops per cm2-mortality, distance-drops per cm2, and MMD-drops per cm2. However, from this trial, these differences cannot be attributed purely to the electrostatic charge because significant differences in droplet size can affect spray performance.

  4. Development of Electrostatically Clean Solar Array Panels

    Science.gov (United States)

    Stern, Theodore G.

    2000-01-01

    Certain missions require Electrostatically Clean Solar Array (ECSA) panels to establish a favorable environment for the operation of sensitive scientific instruments. The objective of this program was to demonstrate the feasibility of an ECSA panel that minimizes panel surface potential below 100mV in LEO and GEO charged particle environments, prevents exposure of solar cell voltage and panel insulating surfaces to the ambient environment, and provides an equipotential, grounded structure surrounding the entire panel. An ECSA panel design was developed that uses a Front Side Aperture-Shield (FSA) that covers all inter-cell areas with a single graphite composite laminate, composite edge clips for connecting the FSA to the panel substrate, and built-in tabs that interconnect the FSA to conductive coated coverglasses using a conductive adhesive. Analysis indicated the ability of the design to meet the ECSA requirements. Qualification coupons and a 0.5m x 0.5m prototype panel were fabricated and tested for photovoltaic performance and electrical grounding before and after exposure to acoustic and thermal cycling environments. The results show the feasibility of achieving electrostatic cleanliness with a small penalty in mass, photovoltaic performance and cost, with a design is structurally robust and compatible with a wide range of current solar panel technologies.

  5. Long range electrostatic forces in ionic liquids.

    Science.gov (United States)

    Gebbie, Matthew A; Smith, Alexander M; Dobbs, Howard A; Lee, Alpha A; Warr, Gregory G; Banquy, Xavier; Valtiner, Markus; Rutland, Mark W; Israelachvili, Jacob N; Perkin, Susan; Atkin, Rob

    2017-01-19

    Ionic liquids are pure salts that are liquid under ambient conditions. As liquids composed solely of ions, the scientific consensus has been that ionic liquids have exceedingly high ionic strengths and thus very short Debye screening lengths. However, several recent experiments from laboratories around the world have reported data for the approach of two surfaces separated by ionic liquids which revealed remarkable long range forces that appear to be electrostatic in origin. Evidence has accumulated demonstrating long range surface forces for several different combinations of ionic liquids and electrically charged surfaces, as well as for concentrated mixtures of inorganic salts in solvent. The original interpretation of these forces, that ionic liquids could be envisioned as "dilute electrolytes," was controversial, and the origin of long range forces in ionic liquids remains the subject of discussion. Here we seek to collate and examine the evidence for long range surface forces in ionic liquids, identify key outstanding questions, and explore possible mechanisms underlying the origin of these long range forces. Long range surface forces in ionic liquids and other highly concentrated electrolytes hold diverse implications from designing ionic liquids for energy storage applications to rationalizing electrostatic correlations in biological self-assembly.

  6. Static Equilibrium Configurations of Charged Metallic Bodies ...

    African Journals Online (AJOL)

    When charged particles are placed on an uncharged metallic body, the charged particles redistribute themselves along the surface of the body until they reach a point or a configuration that no net tangential force is experienced on each particle. That point is referred to as electrostatic equilibrium configuration or simply as ...

  7. Effects of RNA branching on the electrostatic stabilization of viruses.

    Science.gov (United States)

    Erdemci-Tandogan, Gonca; Wagner, Jef; van der Schoot, Paul; Podgornik, Rudolf; Zandi, Roya

    2016-08-01

    Many single-stranded (ss) ribonucleic acid (RNA) viruses self-assemble from capsid protein subunits and the nucleic acid to form an infectious virion. It is believed that the electrostatic interactions between the negatively charged RNA and the positively charged viral capsid proteins drive the encapsidation, although there is growing evidence that the sequence of the viral RNA also plays a role in packaging. In particular, the sequence will determine the possible secondary structures that the ssRNA will take in solution. In this work, we use a mean-field theory to investigate how the secondary structure of the RNA combined with electrostatic interactions affects the efficiency of assembly and stability of the assembled virions. We show that the secondary structure of RNA may result in negative osmotic pressures while a linear polymer causes positive osmotic pressures for the same conditions. This may suggest that the branched structure makes the RNA more effectively packaged and the virion more stable.

  8. Friction coefficient dependence on electrostatic tribocharging

    Science.gov (United States)

    Burgo, Thiago A. L.; Silva, Cristiane A.; Balestrin, Lia B. S.; Galembeck, Fernando

    2013-01-01

    Friction between dielectric surfaces produces patterns of fixed, stable electric charges that in turn contribute electrostatic components to surface interactions between the contacting solids. The literature presents a wealth of information on the electronic contributions to friction in metals and semiconductors but the effect of triboelectricity on friction coefficients of dielectrics is as yet poorly defined and understood. In this work, friction coefficients were measured on tribocharged polytetrafluoroethylene (PTFE), using three different techniques. As a result, friction coefficients at the macro- and nanoscales increase many-fold when PTFE surfaces are tribocharged, but this effect is eliminated by silanization of glass spheres rolling on PTFE. In conclusion, tribocharging may supersede all other contributions to macro- and nanoscale friction coefficients in PTFE and probably in other insulating polymers. PMID:23934227

  9. From electrostatic potentials to yet another triangle center

    OpenAIRE

    Abraham, Hrvoje; Kovač, Vjekoslav

    2013-01-01

    We study the problem of finding a point of maximal electrostatic potential inside an arbitrary triangle with homogeneous surface charge distribution. In this article we show that such point is indeed unique and we derive several synthetic and analytic relations for its location in the plane. Moreover, this point satisfies the definition of a triangle center, different from any of 5622 currently known centers from Clark Kimberling's encyclopedia. Writing style is slightly informal as the paper...

  10. Bifocal: A Multifunctional, Next Generation Electrostatic Analyzer

    Science.gov (United States)

    Andreone, G. D.; Halekas, J. S.

    2016-12-01

    We describe the design and initial development of a next generation charged particle analyzer capable of taking both routine survey measurements and targeted high angular resolution measurements of the distribution. Space physics missions are constrained by both mass and power considerations. Each instrument on a spacecraft must maximize its usefulness while minimizing the drain on resources. The proposed Bifocal electrostatic analyzer fulfills this requirement by making both coarse and fine resolution in-situ electron measurements. Bifocal is a modified tophat analyzer with 2 sets of electrostatic deflectors which divide the entrance of the instrument into two distinct apertures. The top aperture makes fine measurements that allow a detailed look at fine-scale features of the plasma such as loss cones. The lower aperture makes coarse measurements. We performed extensive computer simulations to optimize the angular resolution of the Bifocal sensor. Following the optics, transmitted charged particles hit a microchannel plate (MCP) detector. Below the MCP's, Bifocal utilizes multiple imaging anodes to achieve fine azimuthal resolution. To optimize detection efficiency and imaging resolution, we performed simulations varying both voltage and distance between the MCP exit face and the anodes. Minimizing azimuthal resolution of the fine aperture will be achieved using imaging anodes. Each anode is divided into two different sections with multiple wedge electrodes, with each section attached to separate preamplifiers whose signals provide the inputs to a signal divider circuit. Using the normalized signal difference between the two parts of the circuit, Bifocal determines the azimuthal location of incident particles to high accuracy. We describe the results of initial design and testing of the preamplifier and divider circuitry.

  11. Analytical and Numerical Investigations into Hemisphere-Shaped Electrostatic Sensors

    Directory of Open Access Journals (Sweden)

    Jun Lin

    2014-07-01

    Full Text Available Electrostatic sensors have been widely used in many applications due to their advantages of low cost and robustness. Their spatial sensitivity and time-frequency characteristics are two important performance parameters. In this paper, an analytical model of the induced charge on a novel hemisphere-shaped electrostatic sensor was presented to investigate its accurate sensing characteristics. Firstly a Poisson model was built for electric fields produced by charged particles. Then the spatial sensitivity and time-frequency response functions were directly derived by the Green function. Finally, numerical calculations were done to validate the theoretical results. The results demonstrate that the hemisphere-shaped sensors have highly 3D-symmetrical spatial sensitivity expressed in terms of elementary function, and the spatial sensitivity is higher and less homogeneous near the hemispherical surface and vice versa. Additionally, the whole monitoring system, consisting of an electrostatic probe and a signal conditioner circuit, acts as a band-pass filter. The time-frequency characteristics depend strongly on the spatial position and velocity of the charged particle, the radius of the probe as well as the equivalent resistance and capacitance of the circuit.

  12. Electrostatic forces on grains near asteroids and comets

    Directory of Open Access Journals (Sweden)

    Hartzell Christine

    2017-01-01

    Full Text Available Dust on and near the surface of small planetary bodies (e.g. asteroids, the Moon, Mars’ moons is subject to gravity, cohesion and electrostatic forces. Due to the very low gravity on small bodies, the behavior of small dust grains is driven by non-gravitational forces. Recent work by Scheeres et al. has shown that cohesion, specifically van der Waals force, is significant for grains on asteroids. In addition to van der Waals cohesion, dust grains also experience electrostatic forces, arising from their interaction with each other (through tribocharging and the solar wind plasma (which produces both grain charging and an external electric field. Electrostatic forces influence both the interactions of grains on the surface of small bodies as well as the dynamics of grains in the plasma sheath above the surface. While tribocharging between identical dielectric grains remains poorly understood, we have recently expanded an existing charge transfer model to consider continuous size distributions of grains and are planning an experiment to test the charge predictions produced. Additionally, we will present predictions of the size of dust grains that are capable of detaching from the surface of small bodies.

  13. Towards quantitative electrostatic potential mapping of working semiconductor devices using off-axis electron holography

    Energy Technology Data Exchange (ETDEWEB)

    Yazdi, Sadegh, E-mail: sadegh.yazdi@cen.dtu.dk [Department of Materials, Imperial College London, London SW7 2AZ (United Kingdom); Center for Electron Nanoscopy, Technical University of Denmark, DK 2800 Lyngby (Denmark); Kasama, Takeshi; Beleggia, Marco; Samaie Yekta, Maryam [Center for Electron Nanoscopy, Technical University of Denmark, DK 2800 Lyngby (Denmark); McComb, David W. [Department of Materials, Imperial College London, London SW7 2AZ (United Kingdom); Department of Materials Science and Engineering, The Ohio State University, Columbus, OH 43210 (United States); Twitchett-Harrison, Alison C. [Department of Materials, Imperial College London, London SW7 2AZ (United Kingdom); Dunin-Borkowski, Rafal E. [Center for Electron Nanoscopy, Technical University of Denmark, DK 2800 Lyngby (Denmark); Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany)

    2015-05-15

    Pronounced improvements in the understanding of semiconductor device performance are expected if electrostatic potential distributions can be measured quantitatively and reliably under working conditions with sufficient sensitivity and spatial resolution. Here, we employ off-axis electron holography to characterize an electrically-biased Si p–n junction by measuring its electrostatic potential, electric field and charge density distributions under working conditions. A comparison between experimental electron holographic phase images and images obtained using three-dimensional electrostatic potential simulations highlights several remaining challenges to quantitative analysis. Our results illustrate how the determination of reliable potential distributions from phase images of electrically biased devices requires electrostatic fringing fields, surface charges, specimen preparation damage and the effects of limited spatial resolution to be taken into account.

  14. Impact of Electrostatics on Processing and Product Performance of Pharmaceutical Solids.

    Science.gov (United States)

    Desai, Parind Mahendrakumar; Tan, Bernice Mei Jin; Liew, Celine Valeria; Chan, Lai Wah; Heng, Paul Wan Sia

    2015-01-01

    Manufacturing of pharmaceutical solids involves different unit operations and processing steps such as powder blending, fluidization, sieving, powder coating, pneumatic conveying and spray drying. During these operations, particles come in contact with other particles, different metallic, glass or polymer surfaces and can become electrically charged. Electrostatic charging often gives a negative connotation as it creates sticking, jamming, segregation or other issues during tablet manufacturing, capsule filling, film packaging and other pharmaceutical operations. A thorough and fundamental appreciation of the current knowledge of mechanisms and the potential outcomes is essential in order to minimize potential risks resulting from this phenomenon. The intent of this review is to discuss the electrostatic properties of pharmaceutical powders, equipment surfaces and devices affecting pharmaceutical processing and product performance. Furthermore, the underlying mechanisms responsible for the electrostatic charging are described and factors affecting electrostatic charging have been reviewed in detail. Feasibility of different methods used in the laboratory and pharmaceutical industry to measure charge propensity and decay has been summarized. Different computational and experimental methods studied have proven that the particle charging is a very complex phenomenon and control of particle charging is extremely important to achieve reliable manufacturing and reproducible product performance.

  15. Electrostatic Dust Control for Planetary Rovers

    Science.gov (United States)

    Clark, P. E.; Curtis, S. A.; Farrell, W. M.; Nuth, J. A.; Stubbs, T. J.; Rilee, M. L.

    2005-12-01

    Detailed study of the physical and chemical nature of the fine particulate portion of the regoliths of these bodies is a key to understanding micrometeorite bombardment and the nature of regolith formation. Thus, missions to sample the surfaces of atmosphereless bodies, including the Moon, asteroids, and Mercury, have been identified as crucial components of solar system exploration over the next decades. We have proposed autonomous reconfigurable robotic manual assistants and lander/rovers for such missions. On the other hand, dust poses problems for mechanisms and exposed surfaces on landers/rovers sent to such bodies. Compromise of seals and loss of sample material, as well as mechanical damage to systems and surfaces, occurred after hours of operation during the Apollo missions. Thus both dust mitigation and dust collection are issues which must be addressed for sampling missions. Dust activity on atmosphereless bodies is ubiquitous and induced by complex interactions of fine particulates, environmentally-dependent fields, and charged particles with vehicle surfaces and mechanisms. Dust particles are both abrasive and adhesive as a result of the melting and crushing from micrometeorite bombardment. Thus, dust dynamics result from the interplay between mechanical and electrostatic forces and are a critical environmental factor with which all rover technologies must deal. We have considered various strategies for dust mitigation. Passive ones include the use of conducting surfaces and O-ring sealing of all mechanisms. Several active mechanisms for not only removing but collecting dust are under consideration. Our inter-disciplinary team is investigating the feasibility of an electrostatically based concept for a dust control. Relatively little work has been done on empirically simulating what happens when another surface is introduced into a non-conducting, dusty regolith. We plan to test our concept by performing empirical simulations of the interaction between

  16. Mood and creativity: an appraisal tendency perspective

    OpenAIRE

    de Rooij, A.; Jones, S.

    2013-01-01

    There is a strong relationship between the mood one is in, and the way one performs creatively. Previous research has shown that this relationship is complex. In this paper we argue that this complexity partly lies in a faulty conceptualization of mood. We will argue that an appraisal tendency perspective on moods will help to further clarify the relationship between mood and creativity. To support this argument we will highlight some inconsistencies in previous research, and use the appraisa...

  17. Technological advance in relay protection: dangerous tendencies

    OpenAIRE

    V.I. Gurevich

    2012-01-01

    In the article, the modern lines in the development of relay protection are considered: complication, increasing number of functions, use of non-determined and free-programmed logic, use of Ethernet and Wi-Fi communications channels, decreasing reliability. The article highlights the danger of the existing tendencies in relay protection development and the necessity for creation of new lines of relay protection that are independent of the current developers and manufacturers. The article call...

  18. The Tendency Towards Ingratiation in Convicts

    OpenAIRE

    Zbigniew Nowacki

    2017-01-01

    The article concern the issue of the ingratiation of convicted people. To the research of susceptibility of sentenced people towards ingratiation the author used the questionnaire prepared by himself. The main issue of research was to present the tendency of introduced oneself in the excessively favorable manner and the state of mind (mood) of the convict who was examined. Than was confronted the result of declaration of the convicted submitted in the questionnaire with his real behavior and ...

  19. Development and tendency of rapid prototyping technology

    Science.gov (United States)

    Yan, Yongnian; Hong, Guodong

    1998-08-01

    The definition of the rapid prototyping is given in this paper. Various RP processes, which build the prototypes with 2.5 or 3 dimensional layers, are introduced. The relative techniques of RP and the differences between RP technique and CNC manufacturing are analyzed. The paper discusses the RP's applied fields and methods and presents the RP development in the world. According to the idea that requirements determine the developing, the RP's tendency is discussed.

  20. Compulsive buying tendencies and personal finances.

    Science.gov (United States)

    Spinella, Marcello; Lester, David; Yang, Bijou

    2014-12-01

    In a community sample of 225 adults, scores on the Compulsive Buying Scale were associated with scores on the subscales of the Executive Personal Finance Scale (rs = -.35 to -.70) and the Money Attitudes Scale (positively with using money for impressing others, and negatively with saving and planning). The results suggested that common tendencies toward compulsive buying may not be pathological, but merely associated with attitudes toward money in general and financial management habits.

  1. Point charges optimally placed to represent the multipole expansion of charge distributions.

    Directory of Open Access Journals (Sweden)

    Ramu Anandakrishnan

    Full Text Available We propose an approach for approximating electrostatic charge distributions with a small number of point charges to optimally represent the original charge distribution. By construction, the proposed optimal point charge approximation (OPCA retains many of the useful properties of point multipole expansion, including the same far-field asymptotic behavior of the approximate potential. A general framework for numerically computing OPCA, for any given number of approximating charges, is described. We then derive a 2-charge practical point charge approximation, PPCA, which approximates the 2-charge OPCA via closed form analytical expressions, and test the PPCA on a set of charge distributions relevant to biomolecular modeling. We measure the accuracy of the new approximations as the RMS error in the electrostatic potential relative to that produced by the original charge distribution, at a distance 2x the extent of the charge distribution--the mid-field. The error for the 2-charge PPCA is found to be on average 23% smaller than that of optimally placed point dipole approximation, and comparable to that of the point quadrupole approximation. The standard deviation in RMS error for the 2-charge PPCA is 53% lower than that of the optimal point dipole approximation, and comparable to that of the point quadrupole approximation. We also calculate the 3-charge OPCA for representing the gas phase quantum mechanical charge distribution of a water molecule. The electrostatic potential calculated by the 3-charge OPCA for water, in the mid-field (2.8 Å from the oxygen atom, is on average 33.3% more accurate than the potential due to the point multipole expansion up to the octupole order. Compared to a 3 point charge approximation in which the charges are placed on the atom centers, the 3-charge OPCA is seven times more accurate, by RMS error. The maximum error at the oxygen-Na distance (2.23 Å is half that of the point multipole expansion up to the octupole

  2. Magnetic response to applied electrostatic field in external magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Adorno, T.C. [Universidade de Sao Paulo, Instituto de Fisica, Caixa Postal 66318, Sao Paulo, SP (Brazil); University of Florida, Department of Physics, Gainesville, FL (United States); Gitman, D.M. [Universidade de Sao Paulo, Instituto de Fisica, Caixa Postal 66318, Sao Paulo, SP (Brazil); Tomsk State University, Department of Physics, Tomsk (Russian Federation); Shabad, A.E. [P. N. Lebedev Physics Institute, Moscow (Russian Federation)

    2014-04-15

    We show, within QED and other possible nonlinear theories, that a static charge localized in a finite domain of space becomes a magnetic dipole, if it is placed in an external (constant and homogeneous) magnetic field in the vacuum. The magnetic moment is quadratic in the charge, depends on its size and is parallel to the external field, provided the charge distribution is at least cylindrically symmetric. This magneto-electric effect is a nonlinear response of the magnetized vacuum to an applied electrostatic field. Referring to the simple example of a spherically symmetric applied field, the nonlinearly induced current and its magnetic field are found explicitly throughout the space; the pattern of the lines of force is depicted, both inside and outside the charge, which resembles that of a standard solenoid of classical magnetostatics. (orig.)

  3. Surface electrostatics: theory and computations

    KAUST Repository

    Chatzigeorgiou, G.

    2014-02-05

    The objective of this work is to study the electrostatic response of materials accounting for boundary surfaces with their own (electrostatic) constitutive behaviour. The electric response of materials with (electrostatic) energetic boundary surfaces (surfaces that possess material properties and constitutive structures different from those of the bulk) is formulated in a consistent manner using a variational framework. The forces and moments that appear due to bulk and surface electric fields are also expressed in a consistent manner. The theory is accompanied by numerical examples on porous materials using the finite-element method, where the influence of the surface electric permittivity on the electric displacement, the polarization stress and the Maxwell stress is examined.

  4. The electrochemical impact on electrostatic modulation of the metal-insulator transition in nickelates

    Energy Technology Data Exchange (ETDEWEB)

    Bubel, Simon; Glaudell, Anne M.; Mates, Thomas E.; Chabinyc, Michael L., E-mail: mchabinyc@engineering.ucsb.edu [Materials Research Laboratory (MRL), University of California Santa Barbara (UCSB), California 93106 (United States); Hauser, Adam J. [California Nanosystems Institute (CNSI), University of California Santa Barbara (UCSB), California 93106 (United States); Stemmer, Susanne [Materials Department, University of California Santa Barbara (UCSB), California 93106 (United States)

    2015-03-23

    For physical studies of correlated electron systems and for realizing novel device concepts, electrostatic modulation of metal-insulator transitions (MITs) is desired. The inherently high charge densities needed to modulate MITs make this difficult to achieve. The high capacitance of ionic liquids are attractive but, voltages are needed that can be in excess of the electrochemical stability of the system. Here, we show temperature/resistivity data that suggest electrostatic modulation of the MIT temperature of NdNiO{sub 3} in a wide regime. However, additional voltammetric and x-ray photoelectron spectroscopy measurements demonstrate the electrochemical impact of the electrostatic doping approach with ionic liquids.

  5. Single Molecule Force Spectroscopy Reveals that Electrostatic Interactions Affect the Mechanical Stability of Proteins

    Science.gov (United States)

    Zheng, Peng; Cao, Yi; Bu, Tianjia; Straus, Suzana K.; Li, Hongbin

    2011-01-01

    It is well known that electrostatic interactions play important roles in determining the thermodynamic stability of proteins. However, the investigation into the role of electrostatic interactions in mechanical unfolding of proteins has just begun. Here we used single molecule atomic force microscopy techniques to directly evaluate the effect of electrostatic interactions on the mechanical stability of a small protein GB1. We engineered a bi-histidine motif into the force-bearing region of GB1. By varying the pH, histidine residues can switch between protonated and deprotonated states, leading to the change of the electrostatic interactions between the two histidine residues. We found that the mechanical unfolding force of the engineered protein decreased by ∼34% (from 115 pN to 76 pN) on changing the pH from 8.5 to 3, due to the increased electrostatic repulsion between the two positively charged histidines at acidic pH. Our results demonstrated that electrostatic interactions can significantly affect the mechanical stability of elastomeric proteins, and modulating the electrostatic interactions of key charged residues can become a promising method for regulating the mechanical stability of elastomeric proteins. PMID:21402036

  6. Expansion and rupture of charged microcapsules

    OpenAIRE

    Datta, Sujit S.; Abbaspourrad, Alireza; Weitz, David A

    2014-01-01

    We study the deformations of pH-responsive spherical microcapsules -- micrometer-scale liquid drops surrounded by thin, solid shells -- under the influence of electrostatic forces. When exposed to a large concentration of NaOH, the microcapsules become highly charged, and expand isotropically. We find that the extent of this expansion can be understood by coupling electrostatics with shell theory; moreover, the expansion dynamics is well described by Darcy's law for fluid flow through the mic...

  7. Analytic tendencies in modern Polish and Russian

    Directory of Open Access Journals (Sweden)

    Wojciech Sosnowski

    2015-11-01

    Full Text Available Analytic tendencies in modern Polish and Russian Modern Polish and Russian are characterized by some features which demonstrate an increasing level of analitism. In the process of transformation from synthetic to analytical language, a crucial role is played by prepositional units. In this research, analitism is understood in a traditional way as a morphological and syntactic phenomenon. The fact that the synthetic structure of a language may, in some conditions, turn into an analytical one, as happened in the case of Bulgarian and Macedonian, has been intriguing linguists ever since, and has made me attempt to answer the question: What is the condition of modern Polish and Russian, which are languages with a rich literary tradition and solid grammatical norms, which belong to a group of synthetic languages? The analytical tendencies in morphology include the following: a decrease in the number of cases in all inflected parts of speech; a more frequent use of uninflected nouns and adjectives; the growing importance of nouns with common gender, and, in particular, the use of forms of masculine gender to depict feminine gender; differences in expressing collectiveness in a group of nouns (using collective meaning for forms that have singular meaning; substituting case forms with prepositions; substituting case forms with subordinate clauses; substituting case forms with “helper” words. Analytical tendencies in the area of numeral functioning include: substituting inflected forms of ordinal numerals with cardinal ones; the gradual disappearing inflection of numerals; confusing the forms of noun cases after numerals; the disappearing declination of collective numerals; displacing other cases with so-called simple cases; changing the syntactical position which the numeral should be inflected in; abandoning the declination of first elements of collective numerals. During the study of analytic tendencies in morphology, it was necessary to examine

  8. The Electrostatic Potential of a Uniformly Charged Ring

    Science.gov (United States)

    Ciftja, Orion; Babineaux, Arica; Hafeez, Nadia

    2009-01-01

    When faced with mathematical methods, undergraduate students have difficulty in grasping the reality of various approaches and special functions. It is only when they take a more specialized course such as classical electromagnetism that they finally see the connection. A problem that we believe illustrates very well the depth and variety of…

  9. Analyzing depression tendency of web posts using an event-driven depression tendency warning model.

    Science.gov (United States)

    Tung, Chiaming; Lu, Wenhsiang

    2016-01-01

    The Internet has become a platform to express individual moods/feelings of daily life, where authors share their thoughts in web blogs, micro-blogs, forums, bulletin board systems or other media. In this work, we investigate text-mining technology to analyze and predict the depression tendency of web posts. In this paper, we defined depression factors, which include negative events, negative emotions, symptoms, and negative thoughts from web posts. We proposed an enhanced event extraction (E3) method to automatically extract negative event terms. In addition, we also proposed an event-driven depression tendency warning (EDDTW) model to predict the depression tendency of web bloggers or post authors by analyzing their posted articles. We compare the performance among the proposed EDDTW model, negative emotion evaluation (NEE) model, and the diagnostic and statistical manual of mental disorders-based depression tendency evaluation method. The EDDTW model obtains the best recall rate and F-measure at 0.668 and 0.624, respectively, while the diagnostic and statistical manual of mental disorders-based method achieves the best precision rate of 0.666. The main reason is that our enhanced event extraction method can increase recall rate by enlarging the negative event lexicon at the expense of precision. Our EDDTW model can also be used to track the change or trend of depression tendency for each post author. The depression tendency trend can help doctors to diagnose and even track depression of web post authors more efficiently. This paper presents an E3 method to automatically extract negative event terms in web posts. We also proposed a new EDDTW model to predict the depression tendency of web posts and possibly help bloggers or post authors to early detect major depressive disorder. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. The contribution of electrostatic interactions to the collapse of oligoglycine in water

    Directory of Open Access Journals (Sweden)

    D. Karandur

    2016-03-01

    Full Text Available Protein solubility and conformational stability are a result of a balance of interactions both within a protein and between protein and solvent. The electrostatic solvation free energy of oligoglycines, models for the peptide backbone, becomes more favorable with an increasing length, yet longer peptides collapse due to the formation of favorable intrapeptide interactions between CO dipoles, in some cases without hydrogen bonds. The strongly repulsive solvent cavity formation is balanced by van der Waals attractions and electrostatic contributions. In order to investigate the competition between solvent exclusion and charge interactions we simulate the collapse of a long oligoglycine comprised of 15 residues while scaling the charges on the peptide from zero to fully charged. We examine the effect this has on the conformational properties of the peptide. We also describe the approximate thermodynamic changes that occur during the scaling both in terms of intrapeptide potentials and peptide-water potentials, and estimate the electrostatic solvation free energy of the system.

  11. DRILLING FLUIDS DIFFERENTIAL STICKING TENDENCY DETERMINATION

    Directory of Open Access Journals (Sweden)

    Katarina Simon

    2005-12-01

    Full Text Available Differential sticking is defined as stuck pipe caused by the differential pressure forces from an overbalanced mud column acting on the drillstring against filter cake deposited on a permeable formation. It is influenced by drilling fluid properties and characteristics of rock formations and has major impact on drilling efficiency and well costs respectively. Differential sticking tendency of two drilling fluids were determined in laboratory using sticking tester as well as influence of lubricant and increase of solids content on fluid properties. Results of the testing are presented in the paper.

  12. Electrostatic spray deposition based lithium ion capacitor

    Science.gov (United States)

    Agrawal, Richa; Chen, Chunhui; Wang, Chunlei

    2016-05-01

    Conventional Electrochemical double-layer capacitors (EDLCs) are well suited as power devices that can provide large bursts of energy in short time periods. However, their relatively inferior energy densities as compared to their secondary battery counterparts limit their application in devices that require simultaneous supply of both high energy and high power. In the wake of addressing this shortcoming of EDLCs, the concept of hybridization of lithium-ion batteries (LIBs) and EDLCs has attracted significant scientific interest in recent years. Such a device, generally referred to as the "lithium-ion capacitor" typically utilizes a lithium intercalating electrode along with a fast charging capacitor electrode. Herein we have constructed a lithium hybrid electrochemical capacitor comprising a Li4Ti5O12-TiO2 (LTO-TiO2) anode and a reduced graphene oxide and carbon nanotube (rGO-CNT) composite cathode using electrostatic spray deposition (ESD). The electrodes were characterized using scanning electron microscopy and X-ray diffraction studies. Cyclic voltammetry and galvanostatic charge-discharge measurements were carried out to evaluate the electrochemical performance of the individual electrodes and the full hybrid cells.

  13. Continuous electrodeionization through electrostatic shielding

    Energy Technology Data Exchange (ETDEWEB)

    Dermentzis, Konstantinos [Technological Educational Institute, T.E.I. of Kavala, General Department of Sciences, Laboratory of Chemical Technology, Agios Loucas, 65404 Kavala (Greece)], E-mail: demerz@otenet.gr

    2008-02-15

    We report a new continuous electrodeionization cell with electrostatically shielded concentrate compartments or electrochemical Faraday cages formed by porous electronically and ionically conductive media, instead of permselective ion exchange membranes. Due to local elimination of the applied electric field within the compartments, they electrostatically retain the incoming ions and act as 'electrostatic ion pumps' or 'ion traps' and therefore concentrate compartments. The porous media are chemically and thermally stable. Electrodeionization or electrodialysis cells containing such concentrate compartments in place of ion exchange membranes can be used to regenerate ion exchange resins and produce deionized water, to purify industrial effluents and desalinate brackish or seawater. The cells can work by polarity reversal without any negative impact to the deionization process. Because the electronically and ionically active media constituting the electrostatically shielded concentrate compartments are not permselective and coions are not repelled but can be swept by the migrating counterions, the cells are not affected by the known membrane associated limitations, such as concentration polarization or scaling and show an increased current efficiency.

  14. Electrostatics of Atoms and Molecules

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 7; Issue 2. Electrostatics of Atoms and Molecules. G Narahari Sastry. Book Review Volume 7 Issue 2 February 2002 pp 90-91. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/007/02/0090-0091 ...

  15. Electrostatic Precipitator (ESP) TRAINING MANUAL

    Science.gov (United States)

    The manual assists engineers in using a computer program, the ESPVI 4.0W, that models all elements of an electrostatic precipitator (ESP). The program is a product of the Electric Power Research Institute and runs in the Windows environment. Once an ESP is accurately modeled, the...

  16. Resistivity Problems in Electrostatic Precipitation

    Science.gov (United States)

    White, Harry J.

    1974-01-01

    The process of electrostatic precipitation has ever-increasing application in more efficient collection of fine particles from industrial air emissions. This article details a large number of new developments in the field. The emphasis is on high resistivity particles which are a common cause of poor precipitator performance. (LS)

  17. Measuring Prosocial Tendencies in Germany: Sources of Validity and Reliablity of the Revised Prosocial Tendency Measure

    Directory of Open Access Journals (Sweden)

    Johannes Rodrigues

    2017-12-01

    Full Text Available The prosocial tendencies measure (PTM; Carlo and Randall, 2002 is a widely used measurement for prosocial tendencies in English speaking participants. This instrument distinguishes between six different types of prosocial tendencies that partly share some common basis, but also can be opposed to each other. To examine these constructs in Germany, a study with 1067 participants was conducted. The study investigated the structure of this German version of the PTM-R via exploratory factor analysis, confirmatory factor analysis, correlations with similar constructs in subsamples as well as via measurement invariance test concerning the original English version. The German translation showed a similar factor structure to the English version in exploratory factor analysis and in confirmatory factor analysis. Measurement invariance was found between the English and German language versions of the PTM and support for the proposed six-factor structure (altruistic, anonymous, compliant, dire, emotional and public prosocial behavior was also found in confirmatory factor analysis. Furthermore, the expected interrelations of these factors of prosocial behavior tendencies were obtained. Finally, correlations of the prosocial behavior tendencies with validating constructs and behaviors were found. Thus, the findings stress the importance of seeing prosocial behavior not as a single dimension construct, but as a factored construct which now can also be assessed in German speaking participants.

  18. Measuring Prosocial Tendencies in Germany: Sources of Validity and Reliablity of the Revised Prosocial Tendency Measure.

    Science.gov (United States)

    Rodrigues, Johannes; Ulrich, Natalie; Mussel, Patrick; Carlo, Gustavo; Hewig, Johannes

    2017-01-01

    The prosocial tendencies measure (PTM; Carlo and Randall, 2002) is a widely used measurement for prosocial tendencies in English speaking participants. This instrument distinguishes between six different types of prosocial tendencies that partly share some common basis, but also can be opposed to each other. To examine these constructs in Germany, a study with 1067 participants was conducted. The study investigated the structure of this German version of the PTM-R via exploratory factor analysis, confirmatory factor analysis, correlations with similar constructs in subsamples as well as via measurement invariance test concerning the original English version. The German translation showed a similar factor structure to the English version in exploratory factor analysis and in confirmatory factor analysis. Measurement invariance was found between the English and German language versions of the PTM and support for the proposed six-factor structure (altruistic, anonymous, compliant, dire, emotional and public prosocial behavior) was also found in confirmatory factor analysis. Furthermore, the expected interrelations of these factors of prosocial behavior tendencies were obtained. Finally, correlations of the prosocial behavior tendencies with validating constructs and behaviors were found. Thus, the findings stress the importance of seeing prosocial behavior not as a single dimension construct, but as a factored construct which now can also be assessed in German speaking participants.

  19. Charge Dissipating Transparent Conformal Coatings for Spacecraft Electronics Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The space environment poses significant challenges to spacecraft electronics in the form of electrostatic discharge (ESD) as a result of exposure to highly charged...

  20. Screening of pesticides for environmental partitioning tendency.

    Science.gov (United States)

    Gramatica, Paola; Di Guardo, Antonio

    2002-06-01

    The partitioning tendency of chemicals, in this study pesticides in particular, into different environmental compartments depends mainly on the concurrent relevance of the physico-chemical properties of the chemical itself. To rank the pesticides according to their distribution tendencies in the different environmental compartments we propose a multivariate approach: the combination, by principal component analysis, of those physico-chemical properties like organic carbon partition coefficient (Koc), n-octanol/water partition coefficient (Kow), water solubility (Sw), vapour pressure and Henry's law constant (H) that are more relevant to the determination of environmental partitioning. The resultant macrovariables, the PC1 and PC2 scores here named leaching index (LIN) and volatality index (VIN), are proposed as preliminary environmental partitioning indexes in different media. These two indexes are modeled by theoretical molecular descriptors with satisfactory predictive power. Such an approach allows a rapid pre-determination and screening of the environmental distribution of pesticides starting only from the molecular structure of the pesticide, without any a priori knowledge of the physico-chemical properties.

  1. Lithuanian accounting development phases and tendencies

    Directory of Open Access Journals (Sweden)

    Jonas Mackevičius

    2016-09-01

    Full Text Available The evolution of Lithuanian accounting has a long history and is rather complicated. It was influenced by different countries, especially by Tsarist Russia, Germany, France, Poland and the Soviet Union. Differ-ent factors had an impact and formed the Lithuanian accounting system, and they have defined develop-ment tendencies for it. The aim of this research is to investigate Lithuanian accounting development phases and tendencies. The research methods consist of analysing scientific papers of Lithuanian authors, a retrospective analy-sis, the historical approach, inductive and deductive methods, systematisation, comparison and a sum-mary of the information. From the chronological and historical perspectives, the following Lithuanian accounting development phases were distinguished: (1 accounting origin for the period of the Grand Duchy of Lithuania (1251–1795; (2 Lithuania’s accounting status during the period of occupation by Tsarist Russia (1795–1914 and World War I (1914–1918; (3 the condition and regulation of account-ing during the inter-war period (1918–1940 and World War II in Lithuania; (4 accounting organization and regulation during the Soviet occupation period in Lithuania (1944–1990; (5 accounting status and problems in Independent Lithuania (1990–2015. The article investigates the key elements of regulation, and the achievements and problems of each Lithuanian accounting development phase.

  2. The Tendency Towards Ingratiation in Convicts

    Directory of Open Access Journals (Sweden)

    Zbigniew Nowacki

    2017-07-01

    Full Text Available The article concern the issue of the ingratiation of convicted people. To the research of susceptibility of sentenced people towards ingratiation the author used the questionnaire prepared by himself. The main issue of research was to present the tendency of introduced oneself in the excessively favorable manner and the state of mind (mood of the convict who was examined. Than was confronted the result of declaration of the convicted submitted in the questionnaire with his real behavior and the influence of the (so called “stray words”. In order to verify the formulated hypothesis was adopted the method of diagnostic survey and statistical and comparative analysis. The factor analysis showed that the ingratiation behavior is complicated, complex and multidimensionality. In the tendency of the ingratiation should be distinguish the main three issues: the increase of the value of oneself and the partner, conformity and, manipulation of own image. It appeared that the prisoners served a sentence of imprisonment for the first time are more likely to use conformity than again convicted imprisonment ones. In terms of the increase of the value of oneself and the partner and the own image manipulation, there were no significant difference between those prisoners who are staying for the first time and again in prison isolation.

  3. Electrostatics-driven shape transitions in soft shells.

    Science.gov (United States)

    Jadhao, Vikram; Thomas, Creighton K; Olvera de la Cruz, Monica

    2014-09-02

    Manipulating the shape of nanoscale objects in a controllable fashion is at the heart of designing materials that act as building blocks for self-assembly or serve as targeted drug delivery carriers. Inducing shape deformations by controlling external parameters is also an important way of designing biomimetic membranes. In this paper, we demonstrate that electrostatics can be used as a tool to manipulate the shape of soft, closed membranes by tuning environmental conditions such as the electrolyte concentration in the medium. Using a molecular dynamics-based simulated annealing procedure, we investigate charged elastic shells that do not exchange material with their environment, such as elastic membranes formed in emulsions or synthetic nanocontainers. We find that by decreasing the salt concentration or increasing the total charge on the shell's surface, the spherical symmetry is broken, leading to the formation of ellipsoids, discs, and bowls. Shape changes are accompanied by a significant lowering of the electrostatic energy and a rise in the surface area of the shell. To substantiate our simulation findings, we show analytically that a uniformly charged disc has a lower Coulomb energy than a sphere of the same volume. Further, we test the robustness of our results by including the effects of charge renormalization in the analysis of the shape transitions and find the latter to be feasible for a wide range of shell volume fractions.

  4. Contribution of Electrostatics in the Fibril Stability of a Model Ionic-Complementary Peptide.

    Science.gov (United States)

    Owczarz, Marta; Casalini, Tommaso; Motta, Anna C; Morbidelli, Massimo; Arosio, Paolo

    2015-12-14

    In this work we quantified the role of electrostatic interactions in the self-assembly of a model amphiphilic peptide (RADA 16-I) into fibrillar structures by a combination of size exclusion chromatography and molecular simulations. For the peptide under investigation, it is found that a net charge of +0.75 represents the ideal condition to promote the formation of regular amyloid fibrils. Lower net charges favor the formation of amorphous precipitates, while larger net charges destabilize the fibrillar aggregates and promote a reversible dissociation of monomers from the ends of the fibrils. By quantifying the dependence of the equilibrium constant of this reversible reaction on the pH value and the peptide net charge, we show that electrostatic interactions contribute largely to the free energy of fibril formation. The addition of both salt and a charged destabilizer (guanidinium hydrochloride) at moderate concentration (0.3-1 M) shifts the monomer-fibril equilibrium toward the fibrillar state. Whereas the first effect can be explained by charge screening of electrostatic repulsion only, the promotion of fibril formation in the presence of guanidinium hydrochloride is also attributed to modifications of the peptide conformation. The results of this work indicate that the global peptide net charge is a key property that correlates well with the fibril stability, although the peptide conformation and the surface charge distribution also contribute to the aggregation propensity.

  5. Intriguing Electrostatic Potential of CO: Negative Bond-ends and Positive Bond-cylindrical-surface

    Science.gov (United States)

    Kim, Hahn; Doan, Van Dung; Cho, Woo Jong; Valero, Rosendo; Aliakbar Tehrani, Zahra; Madridejos, Jenica Marie L.; Kim, Kwang S.

    2015-11-01

    The strong electronegativity of O dictates that the ground state of singlet CO has positively charged C and negatively charged O, in agreement with ab initio charge analysis, but in disagreement with the dipole direction. Though this unusual phenomenon has been fairly studied, the study of electrostatic potential (EP) for noncovalent interactions of CO is essential for better understanding. Here we illustrate that both C and O atom-ends show negative EP (where the C end gives more negative EP), favoring positively charged species, whereas the cylindrical surface of the CO bond shows positive EP, favoring negatively charged ones. This is demonstrated from the interactions of CO with Na+, Cl-, H2O, CO and benzene. It can be explained by the quadrupole driven electrostatic nature of CO (like N2) with very weak dipole moment. The EP is properly described by the tripole model taking into account the electrostatic multipole moments, which has a large negative charge at a certain distance protruded from C, a large positive charge on C, and a small negative charge on O. We also discuss the EP of the first excited triplet CO.

  6. Instability studies on a spherical inertial electrostatic confinement

    Science.gov (United States)

    Kim, Hyung Jin

    The spherical inertial electrostatic confinement concept offers an alternative fusion plasma confinement scheme, where charged particles are accelerated and confined electrostatically with a series of biased spherical concentric electrodes. The inertia of the accelerated ions compresses the ions and builds up the space charge at the center of the cathode grid. The space charge of the ions attracts electrons which in turn accumulate a space charge. The accumulation of collective space charge creates a series of deep "virtual" electrostatic potential wells which confine and concentrate ions into a small volume where an appreciable number of nuclear fusion reactions could occur. It is very attractive for a power plant due to its mechanical simplicity and high power-to-mass ratio. However, its beam-plasma interactions are not clearly understood. In order to evaluate the inertial electrostatic confinement concept, it is essential to develop a reliable and flexible instability analysis method for an equilibrium plasma in a potential well. Subsequently stability of this well can be studied. As a part of this study, methods are sought to avoid or suppress any destructive instabilities. Methods to be explored include modification/control of the well profile, control of the electron to ion beam density ratio, control of the angular momentum of the beam, etc. For this purpose, a perturbative (deltaf) particle simulation techniques for a kinetic analysis is applied to simulate completely the dynamic evolution of perturbed Vlasov-Poisson equations and, in addition, to achieve much more accurate simulations of the nonlinear dynamics using less simulation particles compared to conventional particle-in-cell method. This model is used to study the behavior of two-stream-like instabilities related to the trapped spherically converging ions. Results show that steady-state solutions of the self-consistent Vlasov-Poisson equation in which angular momentum of positively charged particle

  7. Vesicle fusion with bilayer lipid membrane controlled by electrostatic interaction

    Directory of Open Access Journals (Sweden)

    Azusa Oshima

    2017-09-01

    Full Text Available The fusion of proteoliposomes is a promising approach for incorporating membrane proteins in artificial lipid membranes. In this study, we employed an electrostatic interaction between vesicles and supported bilayer lipid membranes (s-BLMs to control the fusion process. We combined large unilamellar vesicles (LUVs containing anionic lipids, which we used instead of proteoliposomes, and s-BLMs containing cationic lipids to control electrostatic interaction. Anionic LUVs were never adsorbed or ruptured on the SiO2 substrate with a slight negative charge, and selectively fused with cationic s-BLMs. The LUVs can be fused effectively to the target position. Furthermore, as the vesicle fusion proceeds and some of the positive charges are neutralized, the attractive interaction weakens and finally the vesicle fusion saturates. In other words, we can control the number of LUVs fused with s-BLMs by controlling the concentration of the cationic lipids in the s-BLMs. The fluidity of the s-BLMs after vesicle fusion was confirmed to be sufficiently high. This indicates that the LUVs attached to the s-BLMs were almost completely fused, and there were few intermediate state vesicles in the fusion process. We could control the position and amount of vesicle fusion with the s-BLMs by employing an electrostatic interaction.

  8. Electrostatic Discharge Current Linear Approach and Circuit Design Method

    Energy Technology Data Exchange (ETDEWEB)

    Katsivelis, Pavlos K.; Fotis, Georgios P.; Gonos, Ioannis F.; Koussiouris, Tryfon, G.; Stathopulos, Ioannis A. [School of Electrical and Computer Engineering, National Technical University of Athens (Greece)

    2010-10-15

    The Electrostatic Discharge phenomenon is a great threat to all electronic devices and ICs. An electric charge passing rapidly from a charged body to another can seriously harm the last one. However, there is a lack in a linear mathematical approach which will make it possible to design a circuit capable of producing such a sophisticated current waveform. The commonly accepted Electrostatic Discharge current waveform is the one set by the IEC 61000-4-2. However, the over-simplified circuit included in the same standard is incapable of producing such a waveform. Treating the Electrostatic Discharge current waveform of the IEC 61000-4-2 as reference, an approximation method, based on Prony’s method, is developed and applied in order to obtain a linear system’s response. Considering a known input, a method to design a circuit, able to generate this ESD current waveform in presented. The circuit synthesis assumes ideal active elements. A simulation is carried out using the PSpice software.

  9. Electrostatic discharge current linear approach and circuit design method

    Energy Technology Data Exchange (ETDEWEB)

    Katsivelis, P. K.; Fotis, G. P.; Gonos, I. F.; Koussiouris, T. G.; Stathopulos, I. A. [School of Electrical and Computer Engineering, National Technical University of Athens, 9 Iroon Polytechniou Str., Zographou 157 80, Athens (Greece)

    2010-11-15

    The electrostatic discharge (ESD) phenomenon is a great threat to all electronic devices and ICs. An electric charge passing rapidly from a charged body to another can seriously harm the last one. However, there is a lack in a linear mathematical approach which will make it possible to design a circuit capable of producing such a sophisticated current waveform. The commonly accepted electrostatic discharge current waveform is the one set by the IEC 61000-4-2. However, the over-simplified circuit included in the same standard is incapable of producing such a waveform. Treating the electrostatic discharge current waveform of the IEC 61000-4-2 as reference, an approximation method, based on Prony's method, is developed and applied in order to obtain a linear system's response. Considering a known input, a method to design a circuit, able to generate this ESD current waveform in presented. The circuit synthesis assumes ideal active elements. A simulation is carried out using the PSpice software. (authors)

  10. Multipolar electrostatics for proteins: atom-atom electrostatic energies in crambin.

    Science.gov (United States)

    Yuan, Yongna; Mills, Matthew J L; Popelier, Paul L A

    2014-02-15

    Accurate electrostatics necessitates the use of multipole moments centered on nuclei or extra point charges centered away from the nuclei. Here, we follow the former alternative and investigate the convergence behavior of atom-atom electrostatic interactions in the pilot protein crambin. Amino acids are cut out from a Protein Data Bank structure of crambin, as single amino acids, di, or tripeptides, and are then capped with a peptide bond at each side. The atoms in the amino acids are defined through Quantum Chemical Topology (QCT) as finite volume electron density fragments. Atom-atom electrostatic energies are computed by means of a multipole expansion with regular spherical harmonics, up to a total interaction rank of L = ℓA+ ℓB + 1 = 10. The minimum internuclear distance in the convergent region of all the 15 possible types of atom-atom interactions in crambin that were calculated based on single amino acids are close to the values calculated from di and tripeptides. Values obtained at B3LYP/aug-cc-pVTZ and MP2/aug-cc-pVTZ levels are only slightly larger than those calculated at HF/6-31G(d,p) level. This convergence behavior is transferable to the well-known amyloid beta polypeptide Aβ1-42. Moreover, for a selected central atom, the influence of its neighbors on its multipole moments is investigated, and how far away this influence can be ignored is also determined. Finally, the convergence behavior of AMBER becomes closer to that of QCT with increasing internuclear distance. Copyright © 2013 Wiley Periodicals, Inc.

  11. Depression tendency in physically active senior citizens

    Directory of Open Access Journals (Sweden)

    Adriana Coutinho de Azevedo Guimarães

    2005-06-01

    Full Text Available The present work identifies cases of depression tendency in physically active senior citizens. In our proposal, the data were collected by interviewing senior members of the Seniority Related Studies Group (GETI/CEFID-UDESC using a depression scale method that was adapted from Stoppe e Louzã (1999. To establish the data base 122 candidates with an average age of 68.8 years were included. Most of them (91% did not show any tendency to depression. On the other hand, the remaining examinees (9% presented a lack of hope for their own future, leading to an evident condition of depression tendency. Considering the complexity of the factors that are related to depression conditions, physical activities do lead to body, social and mental benefits, reducing the possibility of a depressive state in senior citizens. RESUMO O presente trabalho verificou a tendência ao estado depressivo em idosos praticantes de atividade física. Para tanto, foi realizada uma entrevista com idosos do Grupo de Estudos da Terceira Idade (GETI/CEFIDUDESC. O instrumento utilizado foi a escala de depressão adaptada de Stoppe e Louzã (1999. A análise dos resultados foi feita por meio de estatística descritiva mediante cálculo de freqüência simples e percentual. A amostra foi composta de 122 idosos, com a idade média de 68,8 anos (DP= 5,5. A maioria dos idosos (91% não apresentou tendência ao estado depressivo. Os que apresentaram tendência (9% referem não ter esperança em relação ao futuro, ter pouca energia e estar pouco animado na maior parte do tempo; apesar disto continuam estimulados a participar do programa de atividade física. Considerando a complexidade dos fatores que predispõem os estados depressivos, entende-se que a atividade física proporciona benefícios físicos, sociais e mentais, podendo reduzir a depressão no idoso.

  12. Tendencies of the digital newspapers in Peru

    Directory of Open Access Journals (Sweden)

    Dra. Lyudmyla Yezers´ka

    2008-01-01

    Full Text Available This article analyzes some of the tendencies of the development of the digital media in Peru. The results that are presented were obtained by means of a survey carried out to responsible people of the digital redactions of the national generalist newspapers that, when concluding the first decade of the existence of the online journalism in the country (1995-2005, had digital editions. From historical perspective, different stages of evolution and consolidation of the Peruvian daily editions in the Global Network have not had temporary clear definition. The media progressed at their own pace, depending among other factors –at the time of entry into the network, the staff assigned to the publication, and especially on the strength of the journalistic company and its policy regarding digital editing. With regard to the presence on the Internet, digital newspapers have shown a steady and numerous growth, over the first decade (1995-2005.

  13. IMMIGRATION GROWTH TENDENCIES IN OECD COUNTRIES

    Directory of Open Access Journals (Sweden)

    Imran SARIHASAN

    2016-12-01

    Full Text Available Immigration became one of the relevant economic topics in recent years. Over the centuries millions of people have migrated, despite the physical, cultural etc. obstacles, to other lands in search of better lives for themselves and their children. In the context of development, globalization and labor market mobility, it is necessary to further analyze the determinants and consequences of migration not only on the host country, but also on the sending country. The increased interest and availability of data keeps this subject in the attention of economists all over the world. In this case an increase in immigration became very significant ıssue for policymakers. The aims of this study are to describe immigration growth tendencies and to answer how much is the average growth rate of foreıgn born population. Thus, in order to measure the native and foreign-born unemployed migrants, twenty-seven OECD countries were used in this research paper.

  14. The Antidiabetics Market: Tendencies and Research Directions

    Directory of Open Access Journals (Sweden)

    Claudiu MOROGVAN

    2010-03-01

    Full Text Available Diabetes mellitus is a pathology with multiple and severe implications. Its prevalence has been continuously increasing during the last years, as well as the number of drugs introduced in its therapy. The value of the antidiabetics global market was evaluated at over 18 billion USD in 2005. The following five international producers hold the biggest share: NovoNordisk, Takeda, Sanofi-Aventis, GlaxoSmithkline and Eli Lilly. The two bestselling drugs in the USA in 2008 were Actos and Lantus, two products of latest generation, which, however, seems to be a global tendency. As far as the OAD (Oral Antidiabetic Drug category is concerned, the products to be prescribed in the following years will be those of latest generation, such as thiazolidinedione, GLP-1 analogues, DPP-4 inhibitors, as well as their fixed combinations with metformine. Rapid or slow acting Insulin analogues and their combinations with isophane insulins replace the classic insulins which seem to be outdated.

  15. Real space electrostatics for multipoles. III. Dielectric Properties

    CERN Document Server

    Lamichhane, Madan; Newman, Kathie E; Gezelter, J Daniel

    2016-01-01

    In the first two papers in this series, we developed new shifted potential (SP), gradient shifted force (GSF), and Taylor shifted force (TSF) real-space methods for multipole interactions in condensed phase simulations. Here, we discuss the dielectric properties of fluids that emerge from simulations using these methods. Most electrostatic methods (including the Ewald sum) require correction to the conducting boundary fluctuation formula for the static dielectric constants, and we discuss the derivation of these corrections for the new real space methods. For quadrupolar fluids, the analogous material property is the quadrupolar susceptibility. As in the dipolar case, the fluctuation formula for the quadrupolar susceptibility has corrections that depend on the electrostatic method being utilized. One of the most important effects measured by both the static dielectric and quadrupolar susceptibility is the ability to screen charges embedded in the fluid. We use potentials of mean force between solvated ions to...

  16. Atom-partitioned multipole expansions for electrostatic potential boundary conditions

    Energy Technology Data Exchange (ETDEWEB)

    Lee, M., E-mail: michael.s.lee131.civ@mail.mil [Simulation Sciences Branch, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States); Leiter, K. [Simulation Sciences Branch, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States); Eisner, C. [Secure Mission Solutions, a Parsons Company (United States); Simulation Sciences Branch, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States); Knap, J. [Simulation Sciences Branch, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States)

    2017-01-01

    Applications such as grid-based real-space density functional theory (DFT) use the Poisson equation to compute electrostatics. However, the expected long tail of the electrostatic potential requires either the use of a large and costly outer domain or Dirichlet boundary conditions estimated via multipole expansion. We find that the oft-used single-center spherical multipole expansion is only appropriate for isotropic mesh domains such as spheres and cubes. In this work, we introduce a method suitable for high aspect ratio meshes whereby the charge density is partitioned into atomic domains and multipoles are computed for each domain. While this approach is moderately more expensive than a single-center expansion, it is numerically stable and still a small fraction of the overall cost of a DFT calculation. The net result is that when high aspect ratio systems are being studied, form-fitted meshes can now be used in lieu of cubic meshes to gain computational speedup.

  17. Electrostatic tuning of permeation and selectivity in aquaporin water channels

    DEFF Research Database (Denmark)

    Jensen, Mogens O Stibius; Tajkhorshid, E.; Schulten, K.

    2003-01-01

    of the single file remains intact during the permeation, indicating that a disrupted water chain is unlikely to be the mechanism of proton exclusion in aquaporins. Specific hydrogen bonds between permeating water and protein at the channel center (at two conserved Asp-Pro-Ala "NPA'' motifs), together...... stronger than water-protein interactions, except near a conserved, positively charged Arg residue. We find that variations of the protein electrostatic field through the channel, owing to preserved structural features, completely explain the bipolar orientation of water. This orientation persists despite...... water translocation in single. le and blocks proton transport. Furthermore, we find that for permeation of a cation, ion-protein electrostatic interactions are more unfavorable at the conserved NPA motifs than at the conserved Arg, suggesting that the major barrier against proton transport in aquaporins...

  18. Electrostatic interactions in dissipative particle dynamics—Ewald-like formalism, error analysis, and pressure computation

    Science.gov (United States)

    Vaiwala, Rakesh; Jadhav, Sameer; Thaokar, Rochish

    2017-03-01

    An accurate time evolution of charged species having exponentially smeared out charge density (Slater type charge distribution) in dissipative particle dynamic (DPD) simulations necessitates the optimal choice of the Ewald splitting parameter (α), charge smearing length (λ), and real space cutoff (c) when the Ewald summation or its variant such as particle-particle particle-mesh or particle-mesh Ewald is employed for long range electrostatics. The present article offers the error estimates in the electrostatic energy and the force as a function of α and β (1 /λ ) on account of spherical truncation c in real space. These error estimate formulae are validated by our DPD simulation results. We also give here an Ewald-like derivation for electrostatic energy and force for the Slater type charge density. A quick estimate of the electrostatic pressure without the use of the tedious expression which involves three dimensional Fourier transforms is also presented, and its range of validity is discussed. The basis for the proposed formula for pressure is the fact that the minimum-image truncation in many cases allows one to compute the thermodynamic quantities with reasonable accuracy.

  19. Electrostatic accelerators fundamentals and applications

    CERN Document Server

    2005-01-01

    Electrostatic accelerators are an important and widespread subgroup within the broad spectrum of modern, large particle acceleration devices. They are specifically designed for applications that require high-quality ion beams in terms of energy stability and emittance at comparatively low energies (a few MeV). Their ability to accelerate virtually any kind of ion over a continuously tunable range of energies make them a highly versatile tool for investigations in many research fields including, but not limited to, atomic and nuclear spectroscopy, heavy ion reactions, accelerator mass spectroscopy as well as ion-beam analysis and modification. The book is divided into three parts. The first part concisely introduces the field of accelerator technology and techniques that emphasize their major modern applications. The second part treats the electrostatic accelerator per se: its construction and operational principles as well as its maintenance. The third part covers all relevant applications in which electrosta...

  20. A Spectral Canonical Electrostatic Algorithm

    CERN Document Server

    Webb, Stephen D

    2015-01-01

    Studying single-particle dynamics over many periods of oscillations is a well-understood problem solved using symplectic integration. Such integration schemes derive their update sequence from an approximate Hamiltonian, guaranteeing that the geometric structure of the underlying problem is preserved. Simulating a self-consistent system over many oscillations can introduce numerical artifacts such as grid heating. This unphysical heating stems from using non-symplectic methods on Hamiltonian systems. With this guidance, we derive an electrostatic algorithm using a discrete form of Hamilton's Principle. The resulting algorithm, a gridless spectral electrostatic macroparticle model, does not exhibit the unphysical heating typical of most particle-in-cell methods. We present results of this using a two-body problem as an example of the algorithm's energy- and momentum-conserving properties.

  1. Digital electrostatic acoustic transducer array

    KAUST Repository

    Carreno, Armando Arpys Arevalo

    2016-12-19

    In this paper we present the fabrication and characterization of an array of electrostatic acoustic transducers. The array is micromachined on a silicon wafer using standard micro-machining techniques. Each array contains 2n electrostatic transducer membranes, where “n” is the bit number. Every element of the array has a hexagonal membrane shape structure, which is separated from the substrate by 3µm air gap. The membrane is made out 5µm thick polyimide layer that has a bottom gold electrode on the substrate and a gold top electrode on top of the membrane (250nm). The wafer layout design was diced in nine chips with different array configurations, with variation of the membrane dimensions. The device was tested with 90 V giving and sound output level as high as 35dB, while actuating all the elements at the same time.

  2. Electrostatic septa for SPS extraction

    CERN Multimedia

    1975-01-01

    The extraction system for the N-Area is located in LSS2 (another one for the W-Area, now abandoned, was in LSS6). The electrostatic septum consists of 4 parts, each 3 m long. It is made of W-wires, 0.12 mm thick. The nominal electric field is 100 kV/cm. See also Annual Report 1975, p.175.

  3. Ferrocene Containing Copolymers with Improved Electrostatic Dissipation Properties for Advanced Applications

    Science.gov (United States)

    Smith, T. M.; Nelson, G. L.

    2005-01-01

    Electrostatic dissipative polymers are used for a variety of functions. Typical methods utilized to transform electrically insulating polymers into either charge dissipative or conductive materials involve incorporating a conductive filler, conductive polymer, oxidizing the surface using plasma, or incorporating surfactants that act as surface wetting agents. Another approach is to synthesize a block copolymer that is expected to result in better electrical properties with minimal impacts to physical, fire, and thermal properties. One such block that can be added into the main chain of polymers is a diol terminated ferrocene oligomer, which is expected to impart electrostatic dissipative properties into the host polymer while concurrently improving the overall fire properties. Previous work with polyurethanes incorporating a ferrocene oligomer into the main chain resulted in much improved fire retardancy. In dealing with electrostatic dissipative materials the important questions are: how easily does the material charge and how quickly can the charge move to ground. One normally describes the materials conductivity, but conductivity only measures the fastest path for an electron not the slowest path. The slowest path is the one of interest, since it is left on the surface and thus can cause discharges. In order to assess ease of charging and decay times corona charge dissipation measurements can accurately assess these properties by introducing a charge on the surface of the material then measuring the surface voltage and the amount of charge deposited. The charge decay curve then will give an indication of a materials electrostatic dissipation properties. Normally, triboelectric testing can be performed, but results vary. Corona charge dissipation results are more repeatable.

  4. Solvation of apolar compounds in protic ionic liquids: the non-synergistic effect of electrostatic interactions and hydrogen bonds.

    Science.gov (United States)

    Sedov, I A; Magsumov, T I; Salikov, T M; Solomonov, B N

    2017-09-27

    The solvation properties of protic ionic liquids such as alkylammonium salts are still virtually uncharacterized. Both electrostatic interactions between charged particles and hydrogen bond networks in a solvent are known to hinder the solubility of apolar species. Protic ionic liquids can be a priori expected to dissolve hydrocarbons worse than aprotic ionic liquids which do not form hydrogen bonds between the ions. We measured the limiting activity coefficients of several alkanes and alkylbenzenes in propylammonium and butylammonium nitrates at 298 K. Surprisingly, we observed the tendency of higher solubility than for the same compounds in aprotic ionic liquids with a similar molar volume. The calculations of the excess Gibbs free energies using test particle insertions into the snapshots of molecular dynamics trajectories reproduced lower values in protic rather than in aprotic ionic liquids for both methane molecules and hard sphere solutes. This can be explained by the favorable solvation of apolar species in the apolar domain of nanostructured PILs. For the first time, we point out at the essential difference between the solvation properties of two types of ionic liquids and prove that it arises from the cavity formation term.

  5. PDPA Investigation on an Electrostatically-Assisted Twin-Fluid Atomization Flow

    Directory of Open Access Journals (Sweden)

    Zhentao Wang

    2014-03-01

    Full Text Available The Phase Doppler Particle Analyzer (PDPA technique is utilized for characterizing the droplet sizes and velocity profiles in an electrostatic spray flow which is atomized using the aerodynamic forces assisted with electrostatic forces. An electrostatically-assisted twin-fluid atomization system is presented and spatial distributions of the droplet size and two-dimensional velocity components are measured simultaneously at each specified point. The droplets are firstly ejected from a liquid jet through the nozzle by aerodynamic shear forces, and the breakup mechanism of such an electrostatically-assisted twin-fluid atomization is investigated using the Rayleigh instability conditions through studying the specific surface charges on these droplets measured by a Faraday canister. The discrepancies between experiment data and Rayleigh limit for specific charges of droplets are presented and discussed due to energy transforming from electrical energy to surface energy, energy loss, Taylor instability breakup and nonexcess charge polarization. The measured average velocity profiles and their RMS (root mean square velocity values for two different scale drops further reveal the effects of the aerodynamic and electrostatic forces on the atomization process.

  6. Electrostatic microvalves utilizing conductive nanoparticles for improved speed, lower power, and higher force actuation.

    Energy Technology Data Exchange (ETDEWEB)

    Ten Eyck, Gregory A.; Branson, Eric D.; Kenis, Paul J. A. (University of Illinois, Champaign Urbana); Desai, Amit (University of Illinois, Champaign Urbana); Schudel, Ben (University of Illinois, Champaign Urbana); Givler, Richard C.; Tice, Josh (University of Illinois, Champaign Urbana); Collord, Andrew; Apblett, Christopher Alan; Cook, Adam W.

    2009-09-01

    We have designed and built electrostatically actuated microvalves compatible with integration into a PDMS based microfluidic system. The key innovation for electrostatic actuation was the incorporation of carbon nanotubes into the PDMS valve membrane, allowing for electrostatic charging of the PDMS layer and subsequent discharging, while still allowing for significant distention of the valveseat for low voltage control of the system. Nanoparticles were applied to semi-cured PDMS using a stamp transfer method, and then cured fully to make the valve seats. DC actuation in air of these valves yielded operational voltages as low as 15V, by using a supporting structure above the valve seat that allowed sufficient restoring forces to be applied while not enhancing actuation forces to raise the valve actuation potential. Both actuate to open and actuate to close valves have been demonstrated, and integrated into a microfluidic platform, and demonstrated fluidic control using electrostatic valves.

  7. Contribution of electrostatics to the binding of pancreatic-type ribonucleases to membranes.

    Science.gov (United States)

    Sundlass, Nadia K; Eller, Chelcie H; Cui, Qiang; Raines, Ronald T

    2013-09-17

    Pancreatic-type ribonucleases show clinical promise as chemotherapeutic agents but are limited in efficacy by the inefficiency of their uptake by human cells. Cellular uptake can be increased by the addition of positive charges to the surface of ribonucleases, either by site-directed mutagenesis or by chemical modification. This observation has led to the hypothesis that ribonuclease uptake by cells depends on electrostatics. Here, we use a combination of experimental and computational methods to ascertain the contribution of electrostatics to the cellular uptake of ribonucleases. We focus on three homologous ribonucleases: Onconase (frog), ribonuclease A (cow), and ribonuclease 1 (human). Our results support the hypothesis that electrostatics are necessary for the cellular uptake of Onconase. In contrast, specific interactions with cell-surface components likely contribute more to the cellular uptake of ribonuclease A and ribonuclease 1 than do electrostatics. These findings provide insight for the design of new cytotoxic ribonucleases.

  8. Quantum dynamics of charge state in silicon field evaporation

    Directory of Open Access Journals (Sweden)

    Elena P. Silaeva

    2016-08-01

    Full Text Available The charge state of an ion field-evaporating from a silicon-atom cluster is analyzed using time-dependent density functional theory coupled to molecular dynamics. The final charge state of the ion is shown to increase gradually with increasing external electrostatic field in agreement with the average charge state of silicon ions detected experimentally. When field evaporation is triggered by laser-induced electronic excitations the charge state also increases with increasing intensity of the laser pulse. At the evaporation threshold, the charge state of the evaporating ion does not depend on the electrostatic field due to the strong contribution of laser excitations to the ionization process both at low and high laser energies. A neutral silicon atom escaping the cluster due to its high initial kinetic energy is shown to be eventually ionized by external electrostatic field.

  9. Quantum dynamics of charge state in silicon field evaporation

    Energy Technology Data Exchange (ETDEWEB)

    Silaeva, Elena P.; Uchida, Kazuki; Watanabe, Kazuyuki, E-mail: kazuyuki@rs.kagu.tus.ac.jp [Department of Physics, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku, Tokyo 162-8601 (Japan)

    2016-08-15

    The charge state of an ion field-evaporating from a silicon-atom cluster is analyzed using time-dependent density functional theory coupled to molecular dynamics. The final charge state of the ion is shown to increase gradually with increasing external electrostatic field in agreement with the average charge state of silicon ions detected experimentally. When field evaporation is triggered by laser-induced electronic excitations the charge state also increases with increasing intensity of the laser pulse. At the evaporation threshold, the charge state of the evaporating ion does not depend on the electrostatic field due to the strong contribution of laser excitations to the ionization process both at low and high laser energies. A neutral silicon atom escaping the cluster due to its high initial kinetic energy is shown to be eventually ionized by external electrostatic field.

  10. “Capacitive sensor” to measure flow electrification and prevent electrostatic hazards.

    Science.gov (United States)

    Paillat, Thierry; Touchard, Gerard; Bertrand, Yves

    2012-10-25

    At a solid/liquid interface, physico-chemical phenomena occur that lead to the separation of electrical charges, establishing a zone called electrical double layer. The convection of one part of these charges by the liquid flow is the cause of the flow electrification phenomenon which is suspected of being responsible of incidents in the industry. The P’ Institute of Poitiers University and CNRS has developed an original sensor called “capacitive sensor” that allows the characterization of the mechanisms involved in the generation, accumulation and transfer of charges. As an example, this sensor included in the design of high power transformers, could easily show the evolution of electrostatic charge generation developed during the operating time of the transformer and, therefore, point out the operations leading to electrostatic hazards and, then, monitor the transformer to prevent such risks.

  11. Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins

    Energy Technology Data Exchange (ETDEWEB)

    Gunner, Marilyn R.; Baker, Nathan A.

    2016-06-20

    Proteins change their charge state through protonation and redox reactions as well as through binding charged ligands. The free energy of these reactions are dominated by solvation and electrostatic energies and modulated by protein conformational relaxation in response to the ionization state changes. Although computational methods for calculating these interactions can provide very powerful tools for predicting protein charge states, they include several critical approximations of which users should be aware. This chapter discusses the strengths, weaknesses, and approximations of popular computational methods for predicting charge states and understanding their underlying electrostatic interactions. The goal of this chapter is to inform users about applications and potential caveats of these methods as well as outline directions for future theoretical and computational research.

  12. Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins.

    Science.gov (United States)

    Gunner, M R; Baker, N A

    2016-01-01

    Proteins change their charge state through protonation and redox reactions as well as through binding charged ligands. The free energy of these reactions is dominated by solvation and electrostatic energies and modulated by protein conformational relaxation in response to the ionization state changes. Although computational methods for calculating these interactions can provide very powerful tools for predicting protein charge states, they include several critical approximations of which users should be aware. This chapter discusses the strengths, weaknesses, and approximations of popular computational methods for predicting charge states and understanding the underlying electrostatic interactions. The goal of this chapter is to inform users about applications and potential caveats of these methods as well as outline directions for future theoretical and computational research. © 2016 Elsevier Inc. All rights reserved.

  13. Victims and contemporary tendencies in crime control

    Directory of Open Access Journals (Sweden)

    Soković Snežana

    2014-01-01

    Full Text Available Victimological dimension of new criminality forms is a specific challenge for contemporary criminal law systems; new time brings new forms of criminality, new victims, but also new ways and opportunities for more efficient protection of victims. At the same time with review and improvement of existing standards of victims` protection, contemporary criminality control systems show strong tendency toward compromising the general position of the victim. Victim’s interests are being instrumentalized because of the justification of changes in criminality control in the direction of significant strengthening of criminal law repression. The crime which is emotionalized with the affective media presentation of the victim justifies stricter penal policy and provides the populist support for repressive criminality control strategies and criminal law expansionism. The aim of the paper is the analysis of the mechanisms of victim “use“ in contemporary criminality control and the examination of its consequences, with special review on domestic circumstances through analysis of the Code on special measures for prevention of crimes against sexual freedom towards juveniles (Marija`s Code.

  14. Electrostatically accelerated encounter and folding for facile recognition of intrinsically disordered proteins.

    Directory of Open Access Journals (Sweden)

    Debabani Ganguly

    Full Text Available Achieving facile specific recognition is essential for intrinsically disordered proteins (IDPs that are involved in cellular signaling and regulation. Consideration of the physical time scales of protein folding and diffusion-limited protein-protein encounter has suggested that the frequent requirement of protein folding for specific IDP recognition could lead to kinetic bottlenecks. How IDPs overcome such potential kinetic bottlenecks to viably function in signaling and regulation in general is poorly understood. Our recent computational and experimental study of cell-cycle regulator p27 (Ganguly et al., J. Mol. Biol. (2012 demonstrated that long-range electrostatic forces exerted on enriched charges of IDPs could accelerate protein-protein encounter via "electrostatic steering" and at the same time promote "folding-competent" encounter topologies to enhance the efficiency of IDP folding upon encounter. Here, we further investigated the coupled binding and folding mechanisms and the roles of electrostatic forces in the formation of three IDP complexes with more complex folded topologies. The surface electrostatic potentials of these complexes lack prominent features like those observed for the p27/Cdk2/cyclin A complex to directly suggest the ability of electrostatic forces to facilitate folding upon encounter. Nonetheless, similar electrostatically accelerated encounter and folding mechanisms were consistently predicted for all three complexes using topology-based coarse-grained simulations. Together with our previous analysis of charge distributions in known IDP complexes, our results support a prevalent role of electrostatic interactions in promoting efficient coupled binding and folding for facile specific recognition. These results also suggest that there is likely a co-evolution of IDP folded topology, charge characteristics, and coupled binding and folding mechanisms, driven at least partially by the need to achieve fast association

  15. Charge renormalization for effective interactions of colloids at water interfaces

    OpenAIRE

    Frydel, D.; Dietrich, S.; Oettel, M.

    2007-01-01

    We analyze theoretically the electrostatic interaction of surface-charged colloids at water interfaces with special attention to the experimentally relevant case of large charge densities on the colloid-water interface. Whereas linear theory predicts an effective dipole potential the strength of which is proportional to the square of the product of charge density and screening length, nonlinear charge renormalization effects change this dependence to a weakly logarithmic one. These results ap...

  16. Polyion Covalency: Exotic Species from the Unexplored World of Electrostatically Shielded Molecular Ion Chemistry.

    Science.gov (United States)

    Weinhold, Frank

    2017-10-04

    Standard quantum chemical methods have been employed to describe a variety of kinetically stable polyionic molecular species that are trapped in appreciable potential wells by chemical bonding forces, despite powerful electrostatic opposition that challenges conventional chemical detection and characterization. The studied species are covalent or dative analogs of "anti-electrostatic" hydrogen-bonded (AEHB) species, all illustrating how short-range quantum covalency can overcome the powerful "shielding" opposition of long-range electrostatic forces to form highly charged molecular species, analogous to known neutral or singly ionic counterparts. Computational predictions of representative structural, spectroscopic, and NBO-based electronic signatures of multiply charged analogs of common neutral species (CH3 CH3 , CO2 , FeCO) are provided to suggest the unique material properties characteristic of this shielded domain of polyionic chemical phenomena. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Increasing the reactivity of an artificial dithiol-disulfide pair through modification of the electrostatic milieu

    DEFF Research Database (Denmark)

    Hansen, Rosa E; Østergaard, Henrik; Winther, Jakob R

    2005-01-01

    to play a key role in determining the rates of thiol disulfide exchange reactions. While modest reactivity effects have previously been seen in peptide model studies, here, we show that introduction of positive charges can have dramatic effects on disulfide bond formation on a structurally restricted......K(a) value of Cys149, as well as favorable electrostatic interactions with the negatively charged reagents. The results presented here show that the electrostatic milieu of cysteine thiols in proteins can have substantial effects on the rates of the thiol-disulfide exchange reactions.......The thiol-disulfide exchange reaction plays a central role in the formation of disulfide bonds in newly synthesized proteins and is involved in many aspects of cellular metabolism. Because the thiolate form of the cysteine residue is the key reactive species, its electrostatic milieu is thought...

  18. Charge-Dipole Acceleration of Polar Gas Molecules towards Charged Nanoparticles: Involvement in Powerful Charge-Induced Catalysis of Heterophase Chemical Reactions and Ball Lightning Phenomenon

    Directory of Open Access Journals (Sweden)

    Oleg Meshcheryakov

    2010-01-01

    Full Text Available In humid air, the substantial charge-dipole attraction and electrostatic acceleration of surrounding water vapour molecules towards charged combustible nanoparticles cause intense electrostatic hydration and preferential oxidation of these nanoparticles by electrostatically accelerated polar water vapour molecules rather than nonaccelerated nonpolar oxygen gas molecules. Intense electrostatic hydration of charged combustible nanoparticles converts the nanoparticle's oxide-based shells into the hydroxide-based electrolyte shells, transforming these nanoparticles into reductant/air core-shell nanobatteries, periodically short-circuited by intraparticle field and thermionic emission. Partially synchronized electron emission breakdowns within trillions of nanoparticles-nanobatteries turn a cloud of charged nanoparticles-nanobatteries into a powerful radiofrequency aerosol generator. Electrostatic oxidative hydration and charge-catalyzed oxidation of charged combustible nanoparticles also contribute to a self-oscillating thermocycling process of evolution and periodic autoignition of inflammable gases near to the nanoparticle's surface. The described effects might be of interest for the improvement of certain nanotechnological heterophase processes and to better understand ball lightning phenomenon.

  19. Electrostatic effects in Majorana hybrid structures

    Science.gov (United States)

    Sitthison, Piyapong; Stanescu, Tudor

    2015-03-01

    We study the electrostatic effects that emerge in proximity-coupled semiconductor- superconductor (SM-SC) structures due to the charge transfer induced by the work function difference between the two materials. The effects are described theoretically using a tight-binding model of the heterostructure solved within a self-consistent Poisson-Schrodinger scheme. We find that these effects are responsible for i) generating an effective Rashba-type spin-orbit coupling and ii) modifying the spatial dependence of the low-energy wave functions near the SM-SC interface. This change in the wave-function amplitude at the interface strongly affects the proximity-induced superconducting gap. Both effects have critical consequences on the stability of the Majorana-hosting topological superconducting phase that is predicted to emerge in this type of structures. For a thin-film geometry, we determine the dependence of the effective spin-orbit coupling and induced superconducting gap on the film thickness and on the strength of the SM-SC coupling.

  20. Modeling of equilibrium hollow objects stabilized by electrostatics.

    Science.gov (United States)

    Mani, Ethayaraja; Groenewold, Jan; Kegel, Willem K

    2011-05-18

    The equilibrium size of two largely different kinds of hollow objects behave qualitatively differently with respect to certain experimental conditions. Yet, we show that they can be described within the same theoretical framework. The objects we consider are 'minivesicles' of ionic and nonionic surfactant mixtures, and shells of Keplerate-type polyoxometalates. The finite-size of the objects in both systems is manifested by electrostatic interactions. We emphasize the importance of constant charge and constant potential boundary conditions. Taking these conditions into account, indeed, leads to the experimentally observed qualitatively different behavior of the equilibrium size of the objects.

  1. Modeling of equilibrium hollow objects stabilized by electrostatics

    Energy Technology Data Exchange (ETDEWEB)

    Mani, Ethayaraja; Groenewold, Jan; Kegel, Willem K, E-mail: w.k.kegel@uu.nl [Van' t Hoff Laboratory for Physical and Colloid Chemistry, Debye Institute, Utrecht University, Padualaan 8, 3584 CH Utrecht (Netherlands)

    2011-05-18

    The equilibrium size of two largely different kinds of hollow objects behave qualitatively differently with respect to certain experimental conditions. Yet, we show that they can be described within the same theoretical framework. The objects we consider are 'minivesicles' of ionic and nonionic surfactant mixtures, and shells of Keplerate-type polyoxometalates. The finite-size of the objects in both systems is manifested by electrostatic interactions. We emphasize the importance of constant charge and constant potential boundary conditions. Taking these conditions into account, indeed, leads to the experimentally observed qualitatively different behavior of the equilibrium size of the objects.

  2. Impact of electrostatic and conventional sprayers characteristics on dispersion of barrier spray.

    Science.gov (United States)

    Farooq, Muhammad; Walker, Todd W; Heintschel, Bryan P; Hoffmann, Wesley C; Fritz, Bradley K; Smith, Vincent L; Robinson, Cathy A; English, Trey

    2010-12-01

    A study was conducted to analyze the performance of 3 electrostatic (Electrolon BP-2.5, Spectrum Electrostatic 4010, and Spectrum Electrostatic head on a Stihl 420) and 2 conventional (Buffalo Turbine CSM2 and Stihl 420) sprayers for barrier sprays to suppress an adult mosquito population in an enclosed area. Sprayer characteristics such as charge-mass ratio, air velocity, flow rate, and droplet spectra were measured while spraying water. Dispersion of the spray cloud from these sprayers was determined using coverage on water-sensitive cards at various heights (0.5 m, 1.0 m, 1.5 m, 2.0 m, 2.5 m, and 3.0 m) and depths (1 m, 3 m, and 5 m) into the under-forest vegetation while spraying bifenthrin (Talstar 7.9% AI; FMC Corporation, Philadelphia, PA) at the rate of 21.8 ml/300 m of treated row. The charge-mass ratio data show that Electrostatic head on a Stihl 420 did not impart enough charge to the droplets to be considered as an electrostatic sprayer. In general, the charged spray cloud moved down toward the ground. The Electrolon BP 2.5 had significantly lower spray coverage on cards, indicating lack of spray dispersion. This sprayer had the lowest air velocity and did not have the air capacity needed to deliver droplets close to the target for electrostatic force to affect deposition. The analysis shows that these 2 sprayers are not a suitable choice for barrier sprays on vegetation. The results indicate that the Buffalo Turbine is suitable for barriers wider than 3 m, and the Spectrum 4010 and Stihl 420 are suitable for 1-3-m-wide barriers.

  3. Response of an annular electrostatic probe for a right cylindrical spacer

    DEFF Research Database (Denmark)

    Johansson, Torben; MacAllister, I. W.

    2002-01-01

    The response of an annular electrostatic probe mounted in an electrode is examined with reference to a right cylindrical spacer. The study involves using the probe λ function to derive characteristic parameters. These parameters enable the response of the probe to different charge distributions...

  4. Stability of electrostatic ion cyclotron waves in a multi-ion plasma†

    Indian Academy of Sciences (India)

    Abstract. We have studied the stability of the electrostatic ion cyclotron wave in a plasma consisting of isotropic hydrogen ions (H+) and temperature-anisotropic positively. (O+) and negatively (O−) charged oxygen ions, with the electrons drifting parallel to the magnetic field. Analytical expressions have been derived for the ...

  5. The Electrostatic Wind Energy Converter : Electrical performance of a high voltage prototype

    NARCIS (Netherlands)

    Djairam, D.

    2008-01-01

    Wind energy is converted to electrical energy by letting the wind move charged particles against the direction of an electric field. The advantage of this type of conversion is that no rotational movement, which occurs in conventional wind turbines, is required. An electrostatic wind energy

  6. Lone pairs: an electrostatic viewpoint.

    Science.gov (United States)

    Kumar, Anmol; Gadre, Shridhar R; Mohan, Neetha; Suresh, Cherumuttathu H

    2014-01-16

    A clear-cut definition of lone pairs has been offered in terms of characteristics of minima in molecular electrostatic potential (MESP). The largest eigenvalue and corresponding eigenvector of the Hessian at the minima are shown to distinguish lone pair regions from the other types of electron localization (such as π bonds). A comparative study of lone pairs as depicted by various other scalar fields such as the Laplacian of electron density and electron localization function is made. Further, an attempt has been made to generalize the definition of lone pairs to the case of cations.

  7. Electrostatic extrusion as a dispersion technique for encapsulation of cells and bioactive compounds

    Directory of Open Access Journals (Sweden)

    Kostić Ivana T.

    2012-01-01

    Full Text Available Significant development of cells and bioactive compound encapsulation technologies is taking place due to an exceptional possibility of their application in various scientific disciplines, including biomedicine, pharmacy, cosmetology, food and agricultural sciences, beverage production, industrial waste treatment. Despite the broad application of microencapsulation, the literature reviews on dispersion techniques for microcapsule/microbead production, their advantages, restrictions and drawbacks are scarce. The purpose of this paper is to assess the possibilities of electrostatic extrusion for encapsulation of biological material, including living cells in hydrogel microbeads. The paper presents an overview of the mechanisms of droplet formation and controlling experimental parameters for producing microbeads by means of electrostatic extrusion. Electrostatic droplet formation utilizes a special type of physical process taking advantage of electrostatic effects occurring in flowing conductive liquids after introduction of an electric field.When an electrostatic field is applied to the metal needle and an electric charge is induced in the liquid flowing out of the needle, the size of droplet detaching from the needle tip decreases as a funcion of applied electrostatic field. It has been shown that few parameters affect microbead size: applied voltage, electrode geometry, needle size, polarity arrangement and polymer concentration. The electrostatic droplet formation is one of the most precise methods, which enables one to produce spherical and uniform particles ranging from 100 μm up to 1000 μm. Most of the authors report that the encapsulated compounds (drugs, enzymes and living cells remain unaltered after electrostatic extrusion. This technique seems to be particularly promising in biotechnology, pharmaceutical and cosmetics industries, where a low-temperature process, preserving heat-sensitive material is a prerequisite. Future efforts in

  8. Electrostatic Climber for Space Elevator and Launcher

    OpenAIRE

    Bolonkin, A.

    2007-01-01

    Author details research on the new, very prospective, electrostatic Space Elevator climber based on a new electrostatic linear engine previously offered at the 42nd Joint Propulsion Conference (AIAA-2006-5229) and published in AEAT, Vol.78, No.6, 2006, pp. 502-508. The electrostatic climber discussed can have any speed (and braking), the energy for climber movement is delivered by a lightweight high-voltage line into a Space Elevator-holding cable from Earth electric generator. This electric ...

  9. Membrane Protein Properties Revealed through Data-Rich Electrostatics Calculations.

    Science.gov (United States)

    Marcoline, Frank V; Bethel, Neville; Guerriero, Christopher J; Brodsky, Jeffrey L; Grabe, Michael

    2015-08-04

    The electrostatic properties of membrane proteins often reveal many of their key biophysical characteristics, such as ion channel selectivity and the stability of charged membrane-spanning segments. The Poisson-Boltzmann (PB) equation is the gold standard for calculating protein electrostatics, and the software APBSmem enables the solution of the PB equation in the presence of a membrane. Here, we describe significant advances to APBSmem, including full automation of system setup, per-residue energy decomposition, incorporation of PDB2PQR, calculation of membrane-induced pKa shifts, calculation of non-polar energies, and command-line scripting for large-scale calculations. We highlight these new features with calculations carried out on a number of membrane proteins, including the recently solved structure of the ion channel TRPV1 and a large survey of 1,614 membrane proteins of known structure. This survey provides a comprehensive list of residues with large electrostatic penalties for being embedded in the membrane, potentially revealing interesting functional information. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. A non-electrostatic spacer for aerosol delivery

    DEFF Research Database (Denmark)

    Bisgaard, H; Anhøj, J; Klug, B

    1995-01-01

    A pear shaped non-electrostatic spacer, composed of steel with a volume of 250 ml and equipped with a facemask containing integrated inlet and outlet valves for inspiration and expiration, was compared with three plastic spacers. The plastic spacers were primed with repeated puffs from a budesonide...... pressurised metered dose inhaler (p-MDI) to minimise the electrostatic charge on the plastic. The procedure prolonged the half life (t1/2) of the aerosol in the Nebuhaler from nine to 32 seconds. A normal cleaning procedure reduced the aerosol t1/2 back to baseline. The t1/2 of the aerosol in the metal spacer...... was 27 seconds and independent of the use of p-MDI. In vitro the maximum dose of budesonide from a p-MDI, expressed as a percentage of the nominal dose, was 56% from the non-electrostatic spacer, 61% from the Nebuhaler, 45% from the Babyhaler, and 30% from the AeroChamber. In 124 children, age 6 months...

  11. Repulsion between oppositely charged planar macroions.

    Directory of Open Access Journals (Sweden)

    YongSeok Jho

    Full Text Available The repulsive interaction between oppositely charged macroions is investigated using Grand Canonical Monte Carlo simulations of an unrestricted primitive model, including the effect of inhomogeneous surface charge and its density, the depth of surface charge, the cation size, and the dielectric permittivity of solvent and macroions, and their contrast. The origin of the repulsion is a combination of osmotic pressure and ionic screening resulting from excess salt between the macroions. The excess charge over-reduces the electrostatic attraction between macroions and raises the entropic repulsion. The magnitude of the repulsion increases when the dielectric constant of the solvent is lowered (below that of water and/or the surface charge density is increased, in good agreement with experiment. Smaller size of surface charge and the cation, their discreteness and mobility are other factors that enhance the repulsion and charge inversion phenomenons.

  12. Preconceptual design for the electrostatic enclosure

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, L.C.

    1992-09-01

    This report presents a preconceptual design (design criteria and assumptions) for electrostatic enclosures to be used during buried transuranic waste recovery operations. These electrostatic enclosures (along with the application of dust control products) will provide an in-depth contamination control strategy. As part of this preconceptual design, options for electrostatic curtain design are given including both hardwall and fabric enclosures. Ventilation systems, doors, air locks, electrostatic curtains, and supporting systems also are discussed. In addition to the conceptual design, engineering scale tests are proposed to be run at the Test Reactor Area. The planned engineering scale tests will give final material specifications for full-scale retrieval demonstrations.

  13. Electrostatic analogy for symmetron gravity

    Science.gov (United States)

    Ogden, Lillie; Brown, Katherine; Mathur, Harsh; Rovelli, Kevin

    2017-12-01

    The symmetron model is a scalar-tensor theory of gravity with a screening mechanism that suppresses the effect of the symmetron field at high densities characteristic of the Solar System and laboratory scales but allows it to act with gravitational strength at low density on the cosmological scale. We elucidate the screening mechanism by showing that in the quasistatic Newtonian limit there are precise analogies between symmetron gravity and electrostatics for both strong and weak screening. For strong screening we find that large dense bodies behave in a manner analogous to perfect conductors in electrostatics. Based on this analogy we find that the symmetron field exhibits a lightning rod effect wherein the field gradients are enhanced near the ends of pointed or elongated objects. An ellipsoid placed in a uniform symmetron gradient is shown to experience a torque. By symmetry there is no gravitational torque in this case. Hence this effect unmasks the symmetron and might serve as the basis for future laboratory experiments. The symmetron force between a point mass and a large dense body includes a component corresponding to the interaction of the point mass with its image in the larger body. None of these effects have counterparts in the Newtonian limit of Einstein gravity. We discuss the similarities between symmetron gravity and the chameleon model as well as the differences between the two.

  14. Highly Tunable Electrostatic Nanomechanical Resonators

    KAUST Repository

    Kazmi, Syed Naveed Riaz

    2017-11-24

    There has been significant interest towards highly tunable resonators for on-demand frequency selection in modern communication systems. Here, we report highly tunable electrostatically actuated silicon-based nanomechanical resonators. In-plane doubly-clamped bridges, slightly curved as shallow arches due to residual stresses, are fabricated using standard electron beam lithography and surface nanomachining. The resonators are designed such that the effect of mid-plane stretching dominates the softening effect of the electrostatic force. This is achieved by controlling the gap-to-thickness ratio and by exploiting the initial curvature of the structure from fabrication. We demonstrate considerable increase in the resonance frequency of nanoresonators with the dc bias voltages up to 108% for 180 nm thick structures with a transduction gap of 1 $mu$m separating them from the driving/sensing electrodes. The experimental results are found in good agreement with those of a nonlinear analytical model based on the Euler-Bernoulli beam theory. As a potential application, we demonstrate a tunable narrow band-pass filter using two electrically coupled nanomechanical arch resonators with varied dc bias voltages.

  15. ELECTROSTATIC PROCESSES IN POWER CABLES

    Directory of Open Access Journals (Sweden)

    G.V. Bezprozvannych

    2013-09-01

    Full Text Available Observation of contact electrification of power cable samples is made. It is revealed that the contact potential difference and the capacity formed under separation of free charges on the surfaces of the contacting materials depend on cable design, applied materials, and inspection schemes. Time series of capacity drift and dielectric loss tangent caused by instability of triboelectric charging of the contacting surfaces are presented.

  16. Continuous-Tone Electrostatic Electrography

    Science.gov (United States)

    1949-06-15

    Chief j Engineering « Technical Div., SIGTM-S... Office >o:t the; Chief S/ignal Officer, Washington 2ß, D, C. ^.Technical Reports Libr ; Fort...the metal backing plate?. With this arrangement* a continuous electrical current, was Observed to flow through the selenium film as. long as. it...electrode would also accept a charge under the corona -discharge, wires. This charge could be • dissipated by ah exposure to light in a. manner similar to

  17. Cartilage-like electrostatic stiffening of responsive cryogel scaffolds

    Science.gov (United States)

    Offeddu, G. S.; Mela, I.; Jeggle, P.; Henderson, R. M.; Smoukov, S. K.; Oyen, M. L.

    2017-02-01

    Cartilage is a structural tissue with unique mechanical properties deriving from its electrically-charged porous structure. Traditional three-dimensional environments for the culture of cells fail to display the complex physical response displayed by the natural tissue. In this work, the reproduction of the charged environment found in cartilage is achieved using polyelectrolyte hydrogels based on polyvinyl alcohol and polyacrylic acid. The mechanical response and morphology of microporous physically-crosslinked cryogels are compared to those of heat-treated chemical gels made from the same polymers, as a result of pH-dependent swelling. In contrast to the heat-treated chemically-crosslinked gels, the elastic modulus of the physical cryogels was found to increase with charge activation and swelling, explained by the occurrence of electrostatic stiffening of the polymer chains at large charge densities. At the same time, the permeability of both materials to fluid flow was impaired by the presence of electric charges. This cartilage-like mechanical behavior displayed by responsive cryogels can be reproduced in other polyelectrolyte hydrogel systems to fabricate biomimetic cellular scaffolds for the repair of the tissue.

  18. Translocating the blood-brain barrier using electrostatics

    Directory of Open Access Journals (Sweden)

    Marta eRibeiro

    2012-10-01

    Full Text Available Mammalian cell membranes regulate homeostasis, protein activity and cell signaling. The charge at the membrane surface has been correlated with these key events.Although mammalian cells are known to be slightly anionic, quantitative information on the membrane charge and the importance of electrostatic interactions in pharmacokinetics and pharmacodynamics remain elusive. Recently, we reported for the first time that brain endothelial cells are more negatively charged than human umbilical cord cells, using zeta-potential dynamic light scattering. Here, we hypothesize that anionicity is a key feature of the blood-brain barrier and contributes to select which compounds cross into the brain. For the sake of comparison, we also studied the membrane surface charge of blood components – red blood cells, platelets and peripheral blood mononuclear cells. To further quantitatively correlate the negative zeta-potential values with membrane charge density, model membranes with different percentages of anionic lipids were also evaluated.From all the cells tested, brain cell membranes are the most anionic and the ones having their lipids mostly exposed, which explains why lipophilic cationic compounds are more prone to cross the blood-brain barrier.

  19. Geometry, charge distribution, and surface speciation of phosphate on goethite.

    NARCIS (Netherlands)

    Rahnemaie, R.; Hiemstra, T.; Riemsdijk, van W.H.

    2007-01-01

    The surface speciation of phosphate has been evaluated with surface complexation modeling using an interfacial charge distribution (CD) approach based on ion adsorption and ordering of interfacial water. In the CD model, the charge of adsorbed ions is distributed over two electrostatic potentials in

  20. Cognitive Reactivity to Success and Failure Relate Uniquely to Manic and Depression Tendencies and Combine in Bipolar Tendencies

    Directory of Open Access Journals (Sweden)

    Filip Raes

    2012-01-01

    Full Text Available The present study examined simultaneously the relations between cognitive reactivity to success and failure, on the one hand, and depression, manic, and bipolar tendencies, on the other hand. Participants (161 students completed measures of success and failure reactivity, current manic and depressive symptoms, and tendencies towards depression, mania, and bipolarity. Results showed that respondents with a greater tendency towards depression evidenced greater (negative reactivity to failure, whereas those with a greater tendency toward mania evidenced greater (positive reactivity to success. Depression vulnerability was unrelated to success reactivity, and manic vulnerability was unrelated to failure reactivity. Tendencies toward bipolarity correlated significantly with both failure and success reactivity in a negative and positive manner, respectively. These findings add to the growing body of literature, suggesting that different features or cognitive tendencies are related to depression vulnerability versus manic vulnerability and imply that these “mirrored” cognitive features both form part of vulnerability to bipolar disorder.

  1. Long-pore Electrostatics in Inward-rectifier Potassium Channels

    Science.gov (United States)

    Robertson, Janice L.; Palmer, Lawrence G.; Roux, Benoît

    2008-01-01

    Inward-rectifier potassium (Kir) channels differ from the canonical K+ channel structure in that they possess a long extended pore (∼85 Å) for ion conduction that reaches deeply into the cytoplasm. This unique structural feature is presumably involved in regulating functional properties specific to Kir channels, such as conductance, rectification block, and ligand-dependent gating. To elucidate the underpinnings of these functional roles, we examine the electrostatics of an ion along this extended pore. Homology models are constructed based on the open-state model of KirBac1.1 for four mammalian Kir channels: Kir1.1/ROMK, Kir2.1/IRK, Kir3.1/GIRK, and Kir6.2/KATP. By solving the Poisson-Boltzmann equation, the electrostatic free energy of a K+ ion is determined along each pore, revealing that mammalian Kir channels provide a favorable environment for cations and suggesting the existence of high-density regions in the cytoplasmic domain and cavity. The contribution from the reaction field (the self-energy arising from the dielectric polarization induced by the ion's charge in the complex geometry of the pore) is unfavorable inside the long pore. However, this is well compensated by the electrostatic interaction with the static field arising from the protein charges and shielded by the dielectric surrounding. Decomposition of the static field provides a list of residues that display remarkable correspondence with existing mutagenesis data identifying amino acids that affect conduction and rectification. Many of these residues demonstrate interactions with the ion over long distances, up to 40 Å, suggesting that mutations potentially affect ion or blocker energetics over the entire pore. These results provide a foundation for understanding ion interactions in Kir channels and extend to the study of ion permeation, block, and gating in long, cation-specific pores. PMID:19001143

  2. Imaging electrostatically confined Dirac fermions in graphene quantum dots

    Science.gov (United States)

    Lee, Juwon; Wong, Dillon; Velasco, Jairo, Jr.; Rodriguez-Nieva, Joaquin F.; Kahn, Salman; Tsai, Hsin-Zon; Taniguchi, Takashi; Watanabe, Kenji; Zettl, Alex; Wang, Feng; Levitov, Leonid S.; Crommie, Michael F.

    2016-11-01

    Electrostatic confinement of charge carriers in graphene is governed by Klein tunnelling, a relativistic quantum process in which particle-hole transmutation leads to unusual anisotropic transmission at p-n junction boundaries. Reflection and transmission at these boundaries affect the quantum interference of electronic waves, enabling the formation of novel quasi-bound states. Here we report the use of scanning tunnelling microscopy to map the electronic structure of Dirac fermions confined in quantum dots defined by circular graphene p-n junctions. The quantum dots were fabricated using a technique involving local manipulation of defect charge within the insulating substrate beneath a graphene monolayer. Inside such graphene quantum dots we observe resonances due to quasi-bound states and directly visualize the quantum interference patterns arising from these states. Outside the quantum dots Dirac fermions exhibit Friedel oscillation-like behaviour. Bolstered by a theoretical model describing relativistic particles in a harmonic oscillator potential, our findings yield insights into the spatial behaviour of electrostatically confined Dirac fermions.

  3. Role of contact electrification and electrostatic interactions in gecko adhesion.

    Science.gov (United States)

    Izadi, Hadi; Stewart, Katherine M E; Penlidis, Alexander

    2014-09-06

    Geckos, which are capable of walking on walls and hanging from ceilings with the help of micro-/nano-scale hierarchical fibrils (setae) on their toe pads, have become the main prototype in the design and fabrication of fibrillar dry adhesives. As the unique fibrillar feature of the toe pads of geckos allows them to develop an intimate contact with the substrate the animal is walking on or clinging to, it is expected that the toe setae exchange significant numbers of electric charges with the contacted substrate via the contact electrification (CE) phenomenon. Even so, the possibility of the occurrence of CE and the contribution of the resulting electrostatic interactions to the dry adhesion of geckos have been overlooked for several decades. In this study, by measuring the magnitude of the electric charges, together with the adhesion forces, that gecko foot pads develop in contact with different materials, we have clarified for the first time that CE does contribute effectively to gecko adhesion. More importantly, we have demonstrated that it is the CE-driven electrostatic interactions which dictate the strength of gecko adhesion, and not the van der Waals or capillary forces which are conventionally considered as the main source of gecko adhesion. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  4. A FRET sensor enables quantitative measurements of membrane charges in live cells.

    Science.gov (United States)

    Ma, Yuanqing; Yamamoto, Yui; Nicovich, Philip R; Goyette, Jesse; Rossy, Jérémie; Gooding, J Justin; Gaus, Katharina

    2017-04-01

    Membrane charge has a critical role in protein trafficking and signaling. However, quantification of the effective electrostatic potential of cellular membranes has remained challenging. We developed a fluorescence membrane charge sensor (MCS) that reports changes in the membrane charge of live cells via Förster resonance energy transfer (FRET). MCS is permanently attached to the inner leaflet of the plasma membrane and shows a linear, reversible and fast response to changes of the electrostatic potential. The sensor can monitor a wide range of cellular treatments that alter the electrostatic potential, such as incorporation and redistribution of charged lipids and alterations in cytosolic ion concentration. Applying the sensor to T cell biology, we used it to identify charged membrane domains in the immunological synapse. Further, we found that electrostatic interactions prevented spontaneous phosphorylation of the T cell receptor and contributed to the formation of signaling clusters in T cells.

  5. Microencapsulation and Electrostatic Processing Method

    Science.gov (United States)

    Morrison, Dennis R. (Inventor); Mosier, Benjamin (Inventor)

    2000-01-01

    Methods are provided for forming spherical multilamellar microcapsules having alternating hydrophilic and hydrophobic liquid layers, surrounded by flexible, semi-permeable hydrophobic or hydrophilic outer membranes which can be tailored specifically to control the diffusion rate. The methods of the invention rely on low shear mixing and liquid-liquid diffusion process and are particularly well suited for forming microcapsules containing both hydrophilic and hydrophobic drugs. These methods can be carried out in the absence of gravity and do not rely on density-driven phase separation, mechanical mixing or solvent evaporation phases. The methods include the process of forming, washing and filtering microcapsules. In addition, the methods contemplate coating microcapsules with ancillary coatings using an electrostatic field and free fluid electrophoresis of the microcapsules. The microcapsules produced by such methods are particularly useful in the delivery of pharmaceutical compositions.

  6. An electrostatically rebalanced micromechanical accelerometer

    Science.gov (United States)

    Boxenhorn, Burton; Greiff, Paul

    The design and test performance of a low-cost micromechanical accelerometer (MA) with integral electrodes, developed for use with the vibratory micromechanical gyro described by Boxenhorn and Greiff (1988), are reported. The MA is a monolithic Si device of size 300 x 600 microns and comprises a torsional pendulum with capacitive readout and an electrostatic torquer. Data from 360-deg sweep tests performed in a g-field are presented in tables and graphs and discussed in detail. Results include bandwidth about 1 Hz, scale-factor error 480 ppm, stable bias of 260 microg over 203 min, and temperature effect 2100 microg/C on bias and -123 ppm/C on scale factor.

  7. Review on the Modeling of Electrostatic MEMS

    Science.gov (United States)

    Chuang, Wan-Chun; Lee, Hsin-Li; Chang, Pei-Zen; Hu, Yuh-Chung

    2010-01-01

    Electrostatic-driven microelectromechanical systems devices, in most cases, consist of couplings of such energy domains as electromechanics, optical electricity, thermoelectricity, and electromagnetism. Their nonlinear working state makes their analysis complex and complicated. This article introduces the physical model of pull-in voltage, dynamic characteristic analysis, air damping effect, reliability, numerical modeling method, and application of electrostatic-driven MEMS devices. PMID:22219707

  8. Electrostatic Propulsion Using C60 Molecules

    Science.gov (United States)

    Leifer, Stephanie D.; Saunders, Winston A.

    1993-01-01

    Report proposes use of C60 as propellant material in electrostatic propulsion system of spacecraft. C60, C70, and similar molecules, have recently been found to have characteristics proving advantageous in electrostatic propulsion. Report discusses these characteristics and proposes experiments to determine feasibility of concept.

  9. Electrostatic assembly/disassembly of nanoscaled colloidosomes for light-triggered cargo release.

    Science.gov (United States)

    Li, Song; Moosa, Basem A; Croissant, Jonas G; Khashab, Niveen M

    2015-06-01

    Colloidosome capsules possess the potential for the encapsulation and release of molecular and macromolecular cargos. However, the stabilization of the colloidosome shell usually requires an additional covalent crosslinking which irreversibly seals the capsules, and greatly limits their applications in large-cargos release. Herein we report nanoscaled colloidosomes designed by the electrostatic assembly of organosilica nanoparticles (NPs) with oppositely charged surfaces (rather than covalent bonds), arising from different contents of a bridged nitrophenylene-alkoxysilane [NB; 3-nitro-N-(3-(triethoxysilyl)propyl)-4-(((3-(triethoxysilyl)propyl)-amino)methyl)benzamid] derivative in the silica. The surface charge of the positively charged NPs was reversed by light irradiation because of a photoreaction in the NB moieties, which impacted the electrostatic interactions between NPs and disassembled the colloidosome nanosystems. This design was successfully applied for the encapsulation and light-triggered release of cargos. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Electrostatic assembly/disassembly of nanoscaled colloidosomes for light-triggered cargo release

    KAUST Repository

    Li, Song

    2015-04-27

    Colloidosome capsules possess the potential for the encapsulation and release of molecular and macromolecular cargos. However, the stabilization of the colloidosome shell usually requires an additional covalent crosslinking which irreversibly seals the capsules, and greatly limits their applications in large-cargos release. Herein we report nanoscaled colloidosomes designed by the electrostatic assembly of organosilica nanoparticles (NPs) with oppositely charged surfaces (rather than covalent bonds), arising from different contents of a bridged nitrophenylene-alkoxysilane [NB; 3-nitro-N-(3-(triethoxysilyl)propyl)-4-(((3-(triethoxysilyl)propyl)-amino)methyl)benzamid] derivative in the silica. The surface charge of the positively charged NPs was reversed by light irradiation because of a photoreaction in the NB moieties, which impacted the electrostatic interactions between NPs and disassembled the colloidosome nanosystems. This design was successfully applied for the encapsulation and light-triggered release of cargos. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Accurate analytical expression of the electrostatic potential close to a grid placed between two plates

    Science.gov (United States)

    Orjubin, G.

    2017-10-01

    The potential distribution between a grid and two plates is an electrostatic problem already solved for MultiWire detectors used in Nuclear Physics, where theoretical expressions are obtained assuming linear charge distributions. In this paper, the accuracy of the line model is investigated close to the wires, using both analytical and numerical approaches. In the symmetric case where the grid is at equal distances between two grounded plates, it is shown that the error can be modeled using a quadrupole charge. After solving the electrostatic problem for the asymmetric case, a larger discrepancy is found, and is interpreted as a consequence of a dipole charge on the electrode. Two different models of this dipole are then implemented, leading to an accurate theoretical expression of the potential.

  12. Combined aerodynamic and electrostatic atomization of dielectric liquid jets

    Energy Technology Data Exchange (ETDEWEB)

    Kourmatzis, Agissilaos [University of Sydney, Clean Combustion Research Group, Aerospace, Mechanical and Mechatronic Engineering, Sydney, NSW (Australia); Ergene, Egemen L.; Mashayek, Farzad [University of Illinois at Chicago, Department of Mechanical and Industrial Engineering, Chicago, IL (United States); Shrimpton, John S. [University of Southampton, Energy Technology Research Group, School of Engineering Sciences, Southampton (United Kingdom); Kyritsis, Dimitrios C.; Huo, Ming [University of Illinois at Urbana-Champaign, Department of Mechanical Science and Engineering, Urbana, IL (United States)

    2012-07-15

    The electrical and atomization performance of a plane-plane charge injection atomizer using a dielectric liquid, and operating at pump pressures ranging from 15 to 35 bar corresponding to injection velocities of up to 50 m/s, is explored via low current electrical measurements, spray imaging and phase Doppler anemometry. The work is aimed at understanding the contribution of electrostatic charging relevant to typical higher pressure fuel injection systems such as those employed in the aeronautical, automotive and marine sectors. Results show that mean-specific charge increases with injection velocity significantly. The effect of electrostatic charge is advantageous at the 15-35 bar range, and an arithmetic mean diameter D{sub 10} as low as 0.2d is achievable in the spray core and lower still in the periphery where d is the orifice diameter. Using the data available from this higher pressure system and from previous high Reynolds number systems (Shrimpton and Yule Exp Fluids 26:460-469, 1999), the promotion of primary atomization has been analysed by examining the effect that charge has on liquid jet surface and liquid jet bulk instability. The results suggest that for the low charge density Q{sub v}{proportional_to} 2 C/m{sup 3} cases under consideration here, a significant increase in primary atomization is observed due to a combination of electrical and aerodynamic forces acting on the jet surface, attributed to the significantly higher jet Weber number (We{sub j}) when compared to low injection pressure cases. Analysis of Sauter mean diameter results shows that for jets with elevated specific charge density of the order Q{sub v}{proportional_to} 6 C/m{sup 3}, the jet creates droplets that a conventional turbulent jet would, but with a significantly lower power requirement. This suggests that 'turbulent' primary atomization, the turbulence being induced by electrical forces, may be achieved under injection pressures that would produce laminar jets

  13. Manipulation of electron transport in graphene by nanopatterned electrostatic potential on an electret

    Science.gov (United States)

    Wang, Xiaowei; Wang, Rui; Wang, Shengnan; Zhang, Dongdong; Jiang, Xingbin; Cheng, Zhihai; Qiu, Xiaohui

    2018-01-01

    The electron transport characteristics of graphene can be finely tuned using local electrostatic fields. Here, we use a scanning probe technique to construct a statically charged electret gate that enables in-situ fabrication of graphene devices with precisely designed potential landscapes, including p-type and n-type unipolar graphene transistors and p-n junctions. Electron dynamic simulation suggests that electron beam collimation and focusing in graphene can be achieved via periodic charge lines and concentric charge circles. This approach to spatially manipulating carrier density distribution may offer an efficient way to investigate the novel electronic properties of graphene and other low-dimensional materials.

  14. Electrostatic properties of two-dimensional WSe{sub 2} nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Hao, Guolin, E-mail: guolinhao@xtu.edu.cn, E-mail: tang-chao@xtu.edu.cn, E-mail: jxzhong@xtu.edu.cn [Hunan Key Laboratory for Micro-Nano Energy Materials and Devices, Xiangtan University, Hunan 411105 (China); State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou 310027 (China); Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Kou, Liangzhi [School of Chemistry, Physics and Mechanical Engineering Faculty, Queensland University of Technology, Garden Point Campus, QLD 4001 Brisbane (Australia); Lu, Donglin; Peng, Jie; Li, Jin; Tang, Chao, E-mail: guolinhao@xtu.edu.cn, E-mail: tang-chao@xtu.edu.cn, E-mail: jxzhong@xtu.edu.cn; Zhong, Jianxin, E-mail: guolinhao@xtu.edu.cn, E-mail: tang-chao@xtu.edu.cn, E-mail: jxzhong@xtu.edu.cn [Hunan Key Laboratory for Micro-Nano Energy Materials and Devices, Xiangtan University, Hunan 411105 (China)

    2016-01-21

    Recently, two-dimensional transition metal dichalcogenides have intrigued much attention due to their promising applications in optoelectronics. The electrostatic property investigation of WSe{sub 2} nanostructures is essential for device application. Here, the interlayer screening effects of WSe{sub 2} nanoplates with different thicknesses were investigated by measuring surface potential employing Kelvin probe force microscopy. Simultaneously, charges can be injected into WSe{sub 2} nanoplate by means of conducting atomic force microscopy to tune the electrostatic properties of WSe{sub 2} nanostructures. Our experimental results have some important implications for improving performance of WSe{sub 2}-based optoelectronic devices through interface or surface engineering.

  15. the influence of parents' educational status on students' tendency to ...

    African Journals Online (AJOL)

    PROF. BARTH EKWEME

    The influence of parents' educational status on students' tendency to cheat in examination was investigated in Secondary Schools in Calabar South Local Government. The objective was to determine whether parents' educational qualification and current enrolment in higher institutions influence students' tendency to cheat ...

  16. The bipolar nature of charge resident on supposedly unipolar aerosols

    Science.gov (United States)

    O'Leary, M.; Balachadran, W.; Rogueda, P.; Chambers, F.

    2008-12-01

    Interest in aerosol electrostatic properties for optimisation of drug delivery within the lung has varied over time. The availability of the Dekati Electrostatic Low Pressure Impactor (ELPI) has facilitated several recent papers investigating distributions of aerosol size and charge. The ELPI operates in a similar fashion to conventional impactors fractionating the aerosol population by aerodynamic size. The impactor plates are electrically conducting and connected to electrometers allowing measurement of inherent aerosol charge transferred upon impaction. Results from pMDIs showing varying charge polarity with size have been cited as evidence of the bipolar nature of charge output. Sum charge over an aerosol measured by the ELPI is, however, simply net charge that may be seen to evolve with size. Electrostatic particle capture methods have been used to assess the nature of the charge resident on a pMDI aerosol population demonstrating unipolar output on the ELPI and have shown consistent bipolarity. Net charge output would have been measured as possessing single polarity but would consist of larger magnitude positive and negative components. Even moderate levels of bipolarity render as inherently flawed any attempt to characterise the level of charge on individual aerosol droplets or the entire population based solely on net charge data.

  17. The role of electrostatic interactions in protease surface diffusion and the consequence for interfacial biocatalysis.

    Science.gov (United States)

    Feller, Bob E; Kellis, James T; Cascão-Pereira, Luis G; Robertson, Channing R; Frank, Curtis W

    2010-12-21

    This study examines the influence of electrostatic interactions on enzyme surface diffusion and the contribution of diffusion to interfacial biocatalysis. Surface diffusion, adsorption, and reaction were investigated on an immobilized bovine serum albumin (BSA) multilayer substrate over a range of solution ionic strength values. Interfacial charge of the enzyme and substrate surface was maintained by performing the measurements at a fixed pH; therefore, electrostatic interactions were manipulated by changing the ionic strength. The interfacial processes were investigated using a combination of techniques: fluorescence recovery after photobleaching, surface plasmon resonance, and surface plasmon fluorescence spectroscopy. We used an enzyme charge ladder with a net charge ranging from -2 to +4 with respect to the parent to systematically probe the contribution of electrostatics in interfacial enzyme biocatalysis on a charged substrate. The correlation between reaction rate and adsorption was determined for each charge variant within the ladder, each of which displayed a maximum rate at an intermediate surface concentration. Both the maximum reaction rate and adsorption value at which this maximum rate occurs increased in magnitude for the more positive variants. In addition, the specific enzyme activity increased as the level of adsorption decreased, and for the lowest adsorption values, the specific enzyme activity was enhanced compared to the trend at higher surface concentrations. At a fixed level of adsorption, the specific enzyme activity increased with positive enzyme charge; however, this effect offers diminishing returns as the enzyme becomes more highly charged. We examined the effect of electrostatic interactions on surface diffusion. As the binding affinity was reduced by increasing the solution ionic strength, thus weakening electrostatic interaction, the rate of surface diffusion increased considerably. The enhancement in specific activity achieved at

  18. Electric charge of a lightning ball

    Science.gov (United States)

    Grigor'ev, A. I.; Shiryaeva, S. O.; Petrushov, N. A.

    2016-09-01

    The electric charge of a lightning ball is found by comparing the electrohydrodynamic stabilities of a charged drop in an electrostatic suspension and a lightning ball floating in a superposition of the gravitational field and the surface electric field. It has been assumed that the electric field strength at the surface is limited by a breakdown value. For a lightning ball radius of 15 cm, its charge is estimated as several microcoulombs. Accordingly, the density of electrostatic energy accumulated in the lightning ball is on the order of one-hundredth of a joule per square centimeter. The density of the material that constitutes the lightning ball has been estimated for the case when the electric field strength at the site of its origination is several times higher than that in fine weather. The density of the lightning ball turns out to differ from that of air by only a few percents.

  19. Quantification of the electrostatic forces involved in the directed assembly of colloidal nanoparticles by AFM nanoxerography

    Science.gov (United States)

    Palleau, E.; Sangeetha, N. M.; Ressier, L.

    2011-08-01

    Directed assembly of 10 nm dodecanethiol stabilized silver nanoparticles in hexane and 14 nm citrate stabilized gold nanoparticles in ethanol was performed by AFM nanoxerography onto charge patterns of both polarities written into poly(methylmethacrylate) thin films. The quasi-neutral silver nanoparticles were grafted on both positive and negative charge patterns while the negatively charged gold nanoparticles were selectively deposited on positive charge patterns only. Numerical simulations were conducted to quantify the magnitude, direction and spatial range of the electrophoretic and dielectrophoretic forces exerted by the charge patterns on these two types of nanoparticles in suspension taken as models. The simulations indicate that the directed assembly of silver nanoparticles on both charge patterns is due to the predominant dielectrophoretic forces, while the selective assembly of gold nanoparticles only on positive charge patterns is due to the predominant electrophoretic forces. The study also suggests that the minimum surface potential of charge patterns required for obtaining effective nanoparticle assembly depends strongly on the charge and polarizability of the nanoparticles and also on the nature of the dispersing solvent. Attractive electrostatic forces of about 2 × 10 - 2 pN in magnitude just above the charged surface appear to be sufficient to trap silver nanoparticles in hexane onto charge patterns and the value is about 2 pN for gold nanoparticles in ethanol, under the present experimental conditions. The numerical simulations used in this work to quantify the electrostatic forces operating in the directed assembly of nanoparticles from suspensions onto charge patterns can easily be extended to any kind of colloid and serve as an effective tool for a better comprehension and prediction of liquid-phase nanoxerography processes.

  20. A simple and efficient method to enhance audiovisual binding tendencies

    Directory of Open Access Journals (Sweden)

    Brian Odegaard

    2017-04-01

    Full Text Available Individuals vary in their tendency to bind signals from multiple senses. For the same set of sights and sounds, one individual may frequently integrate multisensory signals and experience a unified percept, whereas another individual may rarely bind them and often experience two distinct sensations. Thus, while this binding/integration tendency is specific to each individual, it is not clear how plastic this tendency is in adulthood, and how sensory experiences may cause it to change. Here, we conducted an exploratory investigation which provides evidence that (1 the brain’s tendency to bind in spatial perception is plastic, (2 that it can change following brief exposure to simple audiovisual stimuli, and (3 that exposure to temporally synchronous, spatially discrepant stimuli provides the most effective method to modify it. These results can inform current theories about how the brain updates its internal model of the surrounding sensory world, as well as future investigations seeking to increase integration tendencies.

  1. Religiosity, Meaning in Life and Suicidal Tendency Among Jews.

    Science.gov (United States)

    Wilchek-Aviad, Yael; Malka, Michal

    2016-04-01

    The study examines the impact that meaning in life, or lack thereof, has on suicidal tendencies among youth, as well as the nexus between level of religiosity, meaning in life and suicidal tendencies. Subjects were 450 students from both Jewish religious and Jewish secular schools aged 15-18. a significant and negative correlation was found between a sense of meaning in life and suicidal tendencies, beyond gender or level of religiosity. In addition, no difference was found in level of suicidal tendency between Jewish religious and Jewish secular youth; however, among Jewish religious teens, a lower level of depression was reported in comparison with their secular peers. The study therefore concludes that meaning in life is the dominant variable in minimizing suicidal tendencies among youth. The results of this study may promote the establishment of prevention, intervention and therapy plans, especially in the age range that is crucial for suicide. Such programs should be based upon finding meaning in life.

  2. CHARGE IMBALANCE

    Energy Technology Data Exchange (ETDEWEB)

    Clarke, John

    1980-09-01

    The purpose of this article is to review the theory of charge imbalance, and to discuss its relevance to a number of experimental situations. We introduce the concepts of quasiparticle charge and charge imbalance, and discuss the generation and detection of charge imbalance by tunneling. We describe the relaxation of the injected charge imbalance by inelastic scattering processes, and show how the Boltzmann equation can be solved to obtain the steady state quasiparticle distribution and the charge relaxation rate. Details are given of experiments to measure charge imbalance and the charge relaxation rate when inelastic scattering is the predominant relaxation mechanism. Experiments on and theories of other charge relaxation mechanisms are discussed, namely relaxation via elastic scattering in the presence of energy gap anisotropy, or in the presence of a pair breaking mechanism such as magnetic impurities or an applied supercurrent or magnetic field. We describe three other situations in which charge imbalance occurs, namely the resistance of the NS interface, phase slip centers, and the flow of a supercurrent in the presence of a temperature gradient.

  3. Electrostatic control of phospholipid polymorphism.

    Science.gov (United States)

    Tarahovsky, Y S; Arsenault, A L; MacDonald, R C; McIntosh, T J; Epand, R M

    2000-12-01

    A regular progression of polymorphic phase behavior was observed for mixtures of the anionic phospholipid, cardiolipin, and the cationic phospholipid derivative, 1, 2-dioleoyl-sn-glycero-3-ethylphosphocholine. As revealed by freeze-fracture electron microscopy and small-angle x-ray diffraction, whereas the two lipids separately assume only lamellar phases, their mixtures exhibit a symmetrical (depending on charge ratio and not polarity) sequence of nonlamellar phases. The inverted hexagonal phase, H(II,) formed from equimolar mixtures of the two lipids, i.e., at net charge neutrality (charge ratio (CR((+/-))) = 1:1). When one type of lipid was in significant excess (CR((+/-)) = 2:1 or CR((+/-)) = 1:2), a bicontinuous cubic structure was observed. These cubic phases were very similar to those sometimes present in cellular organelles that contain cardiolipin. Increasing the excess of cationic or anionic charge to CR((+/-)) = 4:1 or CR((+/-)) = 1:4 led to the appearance of membrane bilayers with numerous interlamellar contacts, i.e., sponge structures. It is evident that interactions between cationic and anionic moieties can influence the packing of polar heads and hence control polymorphic phase transitions. The facile isothermal, polymorphic interconversion of these lipids may have important biological and technical implications.

  4. On the Electric Fields Produced by Dipolar Coulomb Charges of an Individual Thundercloud in the Ionosphere

    Directory of Open Access Journals (Sweden)

    Vitaly P. Kim

    2015-06-01

    Full Text Available In this paper we study the transmission of the electrostatic field due to coulomb charges of an individual thundercloud into the midlatitude ionosphere, taking into account the total geomagnetic field integrated Pedersen conductivity of the ionosphere. It is shown that at ionospheric altitudes, a typical thundercloud produces an insignificant electrostatic field whereas a giant thundercloud can drive the horizontal electrostatic field with a magnitude of ~270 μV/m for nighttime conditions.

  5. Magnetic confinement system using charged ammonia targets

    Science.gov (United States)

    Porter, Gary D.; Bogdanoff, Anatoly

    1979-01-01

    A system for guiding charged laser targets to a predetermined focal spot of a laser along generally arbitrary, and especially horizontal, directions which comprises a series of electrostatic sensors which provide inputs to a computer for real time calculation of position, velocity, and direction of the target along an initial injection trajectory, and a set of electrostatic deflection means, energized according to a calculated output of said computer, to change the target trajectory to intercept the focal spot of the laser which is triggered so as to illuminate the target of the focal spot.

  6. ELECTROSTATICALLY ENHANCED BARRIER FILTER COLLECTION

    Energy Technology Data Exchange (ETDEWEB)

    John Erjavec; Michael D. Mann; Ryan Z. Knutson; Michael L. Swanson; Michael E. Collings

    2003-06-01

    electrostatically enhanced barrier filter collection (EBFC). This concept combines electrostatic precipitation (ESP) with candle filters in a single unit. Similar technology has been recently proven on a commercial scale for atmospheric applications, but needed to be tested at high temperatures and pressures. The synergy obtained by combining the two control technologies into a single system should actually reduce filter system capital and operating costs and make the system more reliable. More specifically, the ESP is expected to significantly reduce candle filter load and also to limit ash reintrainment, allowing for full recovery of baseline pressure drop during backpulsing of the filters.

  7. PEPTIDE SOLUBILITY, STRUCTURE AND CHARGE POSITION EFFECT ON ADSORPTION BY ALUMINIUM HYDROXIDE

    Directory of Open Access Journals (Sweden)

    Mary Trujillo

    2008-04-01

    Full Text Available Solubility, structure and position of charges in a peptide antigen sequence can be mentioned as being amongst the basic features of adsorption. In order to study their effect on adsorption, seven analogue series were synthesized from a MSP-1 peptide sequence by systematically replacing each one of the positions in the peptide sequence by aspartic acid, glutamic acid, serine, alanine, asparagine, glutamine or lysine. Such modifications in analogue peptide sequences showed a non-regular tendency regarding solubility and adsorption data. Aspartic acid and Glutamic acid analogue series showed great improvements in adsorption, especially in peptides where Lysine in position 6 and Arginine in position 13 were replaced. Solubility of position 5 analogue was greater than the position 6 analogue in Aspartic acid series; however, the position 6 analogue showed best adsorption results whilst the Aspartic acid in position 5 analogue showed no adsorption in the same conditions. Nuclear Magnetic Resonance structural analysis revealed differences in the -helical structureextension between these analogues. The Aspartic acid in position 6, located in the polar side of the helix, may allow this analogueto fit better onto the adsorption regions suggesting that the local electrostatic charge is responsible for this behavior.

  8. Loop electrostatics modulates the intersubunit interactions in ferritin.

    Science.gov (United States)

    Bernacchioni, Caterina; Ghini, Veronica; Pozzi, Cecilia; Di Pisa, Flavio; Theil, Elizabeth C; Turano, Paola

    2014-11-21

    Functional ferritins are 24-mer nanocages that self-assemble with extended contacts between pairs of 4-helix bundle subunits coupled in an antiparallel fashion along the C2 axes. The largest intersubunit interaction surface in the ferritin nanocage involves helices, but contacts also occur between groups of three residues midway in the long, solvent-exposed L-loops of facing subunits. The anchor points between intersubunit L-loop pairs are the salt bridges between the symmetry-related, conserved residues Asp80 and Lys82. The resulting quaternary structure of the cage is highly soluble and thermostable. Substitution of negatively charged Asp80 with a positively charged Lys in homopolymeric M ferritin introduces electrostatic repulsions that inhibit the oligomerization of the ferritin subunits. D80K ferritin was present in inclusion bodies under standard overexpressing conditions in E. coli, contrasting with the wild type protein. Small amounts of fully functional D80K nanocages formed when expression was slowed. The more positively charged surface results in a different solubility profile and D80K crystallized in a crystal form with a low density packing. The 3D structure of D80K variant is the same as wild type except for the side chain orientations of Lys80 and facing Lys82. When three contiguous Lys groups are introduced in D80KI81K ferritin variant the nanocage assembly is further inhibited leading to lower solubility and reduced thermal stability. Here, we demonstrate that the electrostatic pairing at the center of the L-loops has a specific kinetic role in the self-assembly of ferritin nanocages.

  9. Academic Dishonesty Tendencies and Values of Teacher Candidates

    Directory of Open Access Journals (Sweden)

    Ayşegül KADI

    2016-12-01

    Full Text Available The purpose of this study was to examine the values and academic dishonesty tendencies of teacher candidates. The population of this study included teacher candidates who received pedagogic formation education during 2013-2014 academic semester at the Faculty of Education at Ege University. The study was conducted with 244 teacher candidates, who were chosen through convenient sampling method. Academic Dishonesty Tendency Scale and Portrait Values Questionnaire were used to collect data. It was a correlational study due to the investigation of the relationship between values and academic dishonesty tendencies of teacher candidates. It was also a survey study since the academic dishonesty tendencies and values of teacher candidates were examined in relation to demographic variables. The results suggested that there wass a significant difference between the values and academic dishonesty tendencies of teacher candidates for gender variable. The values and academic dishonesty tendencies of teacher candidates did not differ for different fields of study. There was not a significant relationship between the academic dishonesty tendencies and values of teacher candidates.

  10. Charge regulation of weak polyelectrolytes at low- and high-dielectric-constant substrates

    CERN Document Server

    Netz, R R

    2003-01-01

    As is well known, the effective charge of weak polyelectrolytes (PEs) decreases with decreasing salt concentration due to the electrostatic repulsion between dissociated charges. Close to dielectric boundaries, image-charge effects influence the dissociation equilibrium. At low-dielectric-constant substrates, one finds a further charge decrease and repulsion from the interface, while at high-dielectric-constant (e.g. metallic) substrates, the effective charge increases and the PE is attracted to the interface.

  11. Introduction to numerical electrostatics using MATLAB

    CERN Document Server

    Dworsky, Lawrence N

    2014-01-01

    The first of its kind uniquely devoted to the field of computational electrostatics, this book dives headfirst into the actual problems that engineers are expected to solve using method of moment (MoM), finite difference, and finite element techniques. Readers are guided step by step through specific problems and challenges, covering all aspects of electrostatics with an emphasis on numerical procedures. Focusing on practical examples, mathematical equations, and common issues with algorithms, this is an ideal text for students in engineering, physics, and electrostatics-and working engineers

  12. CPM : A Deformable Model for Shape Recovery and Segmentation Based on Charged Particles

    NARCIS (Netherlands)

    Jalba, Andrei C.; Wilkinson, Michael H.F.; Roerdink, Jos B.T.M.

    2004-01-01

    A novel, physically motivated deformable model for shape recovery and segmentation is presented. The model, referred to as the charged-particle model (CPM), is inspired by classical electrodynamics and is based on a simulation of charged particles moving in an electrostatic field. The charges are

  13. A model with charges and polarizability for CS₂ in an ionic liquid

    Indian Academy of Sciences (India)

    The environment of a solute molecule in an ionic liquid is likely to have large fluctuating electrostatic fields, and so the electrostatic properties of such a solute including its charge distribution and its polarizability may make a difference to both its static and dynamic properties. We have developed a new model forthe static ...

  14. Probing DNA-DNA electrostatic friction in tight superhelical DNA plies.

    Science.gov (United States)

    Cherstvy, A G

    2009-04-23

    We estimate theoretically the strength of DNA-DNA electrostatic friction forces emerging upon a slow drag of one DNA over another one in a close juxtaposition. For ideally helical DNA duplexes, this friction occurs due to correlations in electrostatic potential near the DNA surface. The latter originate from the intrinsic helicity of DNA phosphates and adsorbed cations on a scale of 3.4 nm. They produce positive-negative charge interlocking along the DNA-DNA contact. For realistic nonideally helical DNAs, where electrostatic potential barriers become decorrelated due to accumulation of mismatches in DNA structure, DNA-DNA frictional forces are strongly impeded. We discuss possibilities of probing the DNA-DNA intermolecular interactions in strongly confined DNA superhelical plies, as obtained in single-molecule experiments.

  15. A bent electrostatic ion beam trap for simultaneous measurements of fragmentation and ionization of cluster ions.

    Science.gov (United States)

    Aviv, O; Toker, Y; Errit, M; Bhushan, K G; Pedersen, H B; Rappaport, M L; Heber, O; Schwalm, D; Zajfman, D

    2008-08-01

    We describe a bent electrostatic ion beam trap in which cluster ions of several keV kinetic energy can be stored on a V-shaped trajectory by means of an electrostatic deflector placed between two electrostatic mirrors. While maintaining all the advantages of its linear counterpart [Zajfman et al., Phys. Rev. A 55, R1577 (1997); Dahan et al., Rev. Sci. Instrum. 69, 76 (1998)], such as long storage times, straight segments, and a field-free region for merged or crossed beam experiments, the bent trap allows for simultaneous measurement of charged and neutral fragments and determination of the average kinetic energy released in the fragmentation. These unique properties of the bent trap are illustrated by first results concerning the competition between delayed fragmentation and ionization of Al(n) (-) clusters after irradiation by a short laser pulse.

  16. Multiscale analytic continuation approach to nanosystem simulation: Applications to virus electrostatics

    Science.gov (United States)

    Singharoy, Abhishek; Yesnik, Anastasia M.; Ortoleva, Peter

    2010-01-01

    Electrostatic effects in nanosystems are understood via a physical picture built on their multiscale character and the distinct behavior of mobile ions versus charge groups fixed to the nanostructure. The Poisson–Boltzmann equation is nondimensionalized to introduce a factor λ that measures the density of mobile ion charge versus that due to fixed charges; the diffusive smearing and volume exclusion effects of the former tend to diminish its value relative to that from the fixed charges. We introduce the ratio σ of the average nearest-neighbor atom distance to the characteristic size of the features of the nanostructure of interest (e.g., a viral capsomer). We show that a unified treatment (i.e., λ∝σ) and a perturbation expansion around σ=0 yields, through analytic continuation, an approximation to the electrostatic potential of high accuracy and computational efficiency. The approach was analyzed via Padé approximants and demonstrated on viral system electrostatics; it can be generalized to accommodate extended Poisson-Boltzmann models, and has wider applicability to nonequilibrium electrodiffusion and many-particle quantum systems. PMID:20459161

  17. On calculation of the electrostatic potential of a phosphatidylinositol phosphate-containing phosphatidylcholine lipid membrane accounting for membrane dynamics.

    Directory of Open Access Journals (Sweden)

    Jonathan C Fuller

    Full Text Available Many signaling events require the binding of cytoplasmic proteins to cell membranes by recognition of specific charged lipids, such as phosphoinositol-phosphates. As a model for a protein-membrane binding site, we consider one charged phosphoinositol phosphate (PtdIns(3P embedded in a phosphatidylcholine bilayer. As the protein-membrane binding is driven by electrostatic interactions, continuum solvent models require an accurate representation of the electrostatic potential of the phosphoinositol phosphate-containing membrane. We computed and analyzed the electrostatic potentials of snapshots taken at regular intervals from molecular dynamics simulations of the bilayer. We observe considerable variation in the electrostatic potential of the bilayer both along a single simulation and between simulations performed with the GAFF or CHARMM c36 force fields. However, we find that the choice of GAFF or CHARMM c36 parameters has little effect on the electrostatic potential of a given configuration of the bilayer with a PtdIns(3P embedded in it. From our results, we propose a remedian averaging method for calculating the electrostatic potential of a membrane system that is suitable for simulations of protein-membrane binding with a continuum solvent model.

  18. On-Orbit 3-Dimensional Electrostatic Detumble for Generic Spacecraft Geometries

    Science.gov (United States)

    Bennett, Trevor J.

    In recent years, there is a growing interest in active debris removal and on-orbit servicing of Earth orbiting assets. The growing need for such approaches is often exemplified by the Iridium-Kosmos collision in 2009 that generated thousands of debris fragments. There exists a variety of active debris removal and on-orbit servicing technologies in development. Conventional docking mechanisms and mechanical capture by actuated manipulators, exemplified by NASA's Restore-L mission, require slow target tumble rates or more aggressive circumnavigation rate matching. The tumble rate limitations can be overcome with flexible capture systems such nets, harpoons, or tethers yet these systems require complex deployment, towing, and/or interfacing strategies to avoid servicer and target damage. Alternatively, touchless methods overcome the tumble rate limitations by provide detumble control prior to a mechanical interface. This thesis explores electrostatic detumble technology to touchlessly reduce large target rotation rates of Geostationary satellites and debris. The technical challenges preceding flight implementation largely reside in the long-duration formation flying guidance, navigation, and control of a servicer spacecraft equipped with electrostatic charge transfer capability. Leveraging prior research into the electrostatic charging of spacecraft, electrostatic detumble control formulations are developed for both axisymmetric and generic target geometries. A novel relative position vector and associated relative orbit control approach is created to manage the long-duration proximity operations. Through detailed numerical simulations, the proposed detumble and relative motion control formulations demonstrate detumble of several thousand kilogram spacecraft tumbling at several degrees per second in only several days. The availability, either through modeling or sensing, of the relative attitude, relative position, and electrostatic potential are among key concerns

  19. The energetic contribution of induced electrostatic asymmetry to DNA bending by a site-specific protein.

    Science.gov (United States)

    Hancock, Stephen P; Hiller, David A; Perona, John J; Jen-Jacobson, Linda

    2011-02-18

    DNA bending can be promoted by reducing the net negative electrostatic potential around phosphates on one face of the DNA, such that electrostatic repulsion among phosphates on the opposite face drives bending toward the less negative surface. To provide the first assessment of energetic contribution to DNA bending when electrostatic asymmetry is induced by a site-specific DNA binding protein, we manipulated the electrostatics in the EcoRV endonuclease-DNA complex by mutation of cationic side chains that contact DNA phosphates and/or by replacement of a selected phosphate in each strand with uncharged methylphosphonate. Reducing the net negative charge at two symmetrically located phosphates on the concave DNA face contributes -2.3 kcal mol(-1) to -0.9 kcal mol(-1) (depending on position) to complex formation. In contrast, reducing negative charge on the opposing convex face produces a penalty of +1.3 kcal mol(-1). Förster resonance energy transfer experiments show that the extent of axial DNA bending (about 50°) is little affected in modified complexes, implying that modification affects the energetic cost but not the extent of DNA bending. Kinetic studies show that the favorable effects of induced electrostatic asymmetry on equilibrium binding derive primarily from a reduced rate of complex dissociation, suggesting stabilization of the specific complex between protein and markedly bent DNA. A smaller increase in the association rate may suggest that the DNA in the initial encounter complex is mildly bent. The data imply that protein-induced electrostatic asymmetry makes a significant contribution to DNA bending but is not itself sufficient to drive full bending in the specific EcoRV-DNA complex. Copyright © 2010 Elsevier Ltd. All rights reserved.

  20. A robust force field based method for calculating conformational energies of charged drug-like molecules

    DEFF Research Database (Denmark)

    Pøhlsgaard, Jacob; Harpsøe, Kasper; Jørgensen, Flemming Steen

    2012-01-01

    molecules, including polar and charged compounds. Identifying global energy minimum conformations of such compounds with force-field methods is problematic due to the exaggeration of intramolecular electrostatic interactions. We demonstrate that the global energy minimum conformations of zwitterionic...

  1. Carrier trapping study on a Ge nanocrystal by two-pass lift mode electrostatic force microscopy

    Science.gov (United States)

    (林振, Z. Lin; Brunkov, P.; Bassani, F.; Descamps, A.; O'Dwyer, C.; Bremond, G.

    2015-03-01

    Trapped charges inside an isolated germanium nanocrystal (Ge NC) have been studied by two-pass lift mode electrostatic force microscopy (EFM) measurements at room temperature. From visualized EFM images, electrons and holes were proven to be successfully injected and trapped in the Ge NC and distributed homogenously at the edge of its truncated spherical morphology. The Ge NC is found to have iso-potential surface and behave as a conductive material after being charged. It is also shown that the dominant charge decay mechanism during discharging of Ge NCs is related to the leakage of these trapped charges. A truncated capacitor model is used to approximate the real capacitance between the tip and Ge NC surface and to quantitatively study these trapped charges. These investigations demonstrate the potential for Ge nanocrystal memory applications.

  2. Monitoring by Control Technique - Electrostatic Precipitators

    Science.gov (United States)

    Stationary source emissions monitoring is required to demonstrate that a source is meeting the requirements in Federal or state rules. This page is about electrostatic precipitator control techniques used to reduce pollutant emissions.

  3. Spacecraft charging requirements and engineering issues

    Science.gov (United States)

    Garrett, Henry B.; Whittlesey, Albert C.

    2006-01-01

    An effort is currently underway to recast and combine two NASA guidelines for mitigating the effects of spacecraft charging and electrostatic discharge on spacecraft. The task has the goal of taking the existing NASA guidelines for preventing surface electrostatic charging, NASA-TP-2361 (Purvis et al., 1984), and internal electrostatic charging, NASAHDBK 4002 (Whittlesey, 1999), and bringing them up to date with recent laboratory and onorbit findings. This paper will describe the status of those on-going efforts to combine and update the two guidelines. Reasons for the upgrades will be presented, including new subject material for which there is now a greater understanding or a greater need which changes satellite design procedures, or both. There will be an emphasis on the proposed contents and on the differences and similarities between surface and internal charging mitigation techniques. In addition, the mitigation requirements that can be derived from the combined handbook will be discussed with emphasis on how they might affect the engineering design and testing of future spacecraft.

  4. Is there a tendency for thrombosis in gestational diabetes mellitus?

    Directory of Open Access Journals (Sweden)

    Suheyla Gorar

    2016-01-01

    Conclusions: Our findings indicate tendency to develop thrombosis in GDM similar to diabetes mellitus; but more comprehensive studies with larger sample size are needed to determine the relationship between GDM and hemostasis.

  5. Natural Tendency towards Beauty in Humans: Evidence from Binocular Rivalry

    National Research Council Canada - National Science Library

    Mo, Ce; Xia, Tiansheng; Qin, Kaixin; Mo, Lei

    2016-01-01

    Although human preference for beauty is common and compelling in daily life, it remains unknown whether such preference is essentially subserved by social cognitive demands or natural tendency towards...

  6. Electrostatic Levitation Furnace for the ISS

    Science.gov (United States)

    Murakami, Keiji; Koshikawa, Naokiyo; Shibasaki, Kohichi; Ishikawa, Takehiko; Okada, Junpei; Takada, Tetsuya; Arai, Tatsuya; Fujino, Naoki; Yamaura, Yukiko

    2012-01-01

    JAXA (Japan Aerospace Exploration Agency) has just started the development of Electrostatic Levitation Furnace to be launched in 2014 for the ISS. This furnace can control the sample position with electrostatic force and heat it above 2000 degree Celsius using semiconductor laser from four different directions. The announcement of Opportunity will be issued soon for this furnace. In this paper, we will show the specifications of this furnace and also the development schedule

  7. Nonlinear Electrostatic Wave Equations for Magnetized Plasmas

    DEFF Research Database (Denmark)

    Dysthe, K.B.; Mjølhus, E.; Pécseli, Hans

    1984-01-01

    The lowest order kinetic effects are included in the equations for nonlinear electrostatic electron waves in a magnetized plasma. The modifications of the authors' previous analysis based on a fluid model are discussed.......The lowest order kinetic effects are included in the equations for nonlinear electrostatic electron waves in a magnetized plasma. The modifications of the authors' previous analysis based on a fluid model are discussed....

  8. Electron Charged Graphite-based Hydrogen Storage Material

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Chinbay Q. Fan; D Manager

    2012-03-14

    The electron-charge effects have been demonstrated to enhance hydrogen storage capacity using materials which have inherent hydrogen storage capacities. A charge control agent (CCA) or a charge transfer agent (CTA) was applied to the hydrogen storage material to reduce internal discharge between particles in a Sievert volumetric test device. GTI has tested the device under (1) electrostatic charge mode; (2) ultra-capacitor mode; and (3) metal-hydride mode. GTI has also analyzed the charge distribution on storage materials. The charge control agent and charge transfer agent are needed to prevent internal charge leaks so that the hydrogen atoms can stay on the storage material. GTI has analyzed the hydrogen fueling tank structure, which contains an air or liquid heat exchange framework. The cooling structure is needed for hydrogen fueling/releasing. We found that the cooling structure could be used as electron-charged electrodes, which will exhibit a very uniform charge distribution (because the cooling system needs to remove heat uniformly). Therefore, the electron-charge concept does not have any burden of cost and weight for the hydrogen storage tank system. The energy consumption for the electron-charge enhancement method is quite low or omitted for electrostatic mode and ultra-capacitor mode in comparison of other hydrogen storage methods; however, it could be high for the battery mode.

  9. Academic Dishonesty Tendencies and Values of Teacher Candidates

    OpenAIRE

    Ayşegül KADI; Osman Ferda BEYTEKİN; Hasan ARSLAN

    2016-01-01

    The purpose of this study was to examine the values and academic dishonesty tendencies of teacher candidates. The population of this study included teacher candidates who received pedagogic formation education during 2013-2014 academic semester at the Faculty of Education at Ege University. The study was conducted with 244 teacher candidates, who were chosen through convenient sampling method. Academic Dishonesty Tendency Scale and Portrait Values Questionnaire were used to collect data. It w...

  10. Empathic Tendency of University Students in Tennis and Communication Skills

    Directory of Open Access Journals (Sweden)

    T. Osman MUTLU

    2014-07-01

    Full Text Available Communication and emphaty are an important dimension of tennis player and these skills should be developed in students and young tennis player. In this study, we aimed to determi ne the communication skills and emphatic tendency of student tennis players. Data were collected with 115 student tennis players who participated in university sport games championships. In this study, three instruments were used: Personal Knowledge Form, Communication Skills Assessing Scale (Korkut, 1996, and Emphatic Tendency Scale (Dökmen, 1988. In order to demonstrate the reliability of the scales to test the reliability of communication skills as a result of the scale, Cronbach's alpha value of 0.784 , the Cronbach alpha coefficient of empathic tendency scale was found to be 0.816. Accordingly, it can be said that the high reliability of the scales. The data sets analysed by independent samples t - test, one way ANOVA and correlation analyses. The result s showed that communication skills of the student tennis players were higher and the emphaty tendencies of the student tennis players were lower according to relevant literature. Communication skills and emphaty tendencies of the student tennis players wer e not statically significant according to ages, genders and departments of them. The correlation between The communication skills and emphaty tendencies of the student tennis players were positive and statically significant.

  11. Effects of conformational ordering on protein/polyelectrolyte electrostatic complexation: ionic binding and chain stiffening

    Science.gov (United States)

    Cao, Yiping; Fang, Yapeng; Nishinari, Katsuyoshi; Phillips, Glyn O.

    2016-03-01

    Coupling of electrostatic complexation with conformational transition is rather general in protein/polyelectrolyte interaction and has important implications in many biological processes and practical applications. This work studied the electrostatic complexation between κ-carrageenan (κ-car) and type B gelatin, and analyzed the effects of the conformational ordering of κ-car induced upon cooling in the presence of potassium chloride (KCl) or tetramethylammonium iodide (Me4NI). Experimental results showed that the effects of conformational ordering on protein/polyelectrolyte electrostatic complexation can be decomposed into ionic binding and chain stiffening. At the initial stage of conformational ordering, electrostatic complexation can be either suppressed or enhanced due to the ionic bindings of K+ and I- ions, which significantly alter the charge density of κ-car or occupy the binding sites of gelatin. Beyond a certain stage of conformational ordering, i.e., helix content θ > 0.30, the effect of chain stiffening, accompanied with a rapid increase in helix length ζ, becomes dominant and tends to dissociate the electrostatic complexation. The effect of chain stiffening can be theoretically interpreted in terms of double helix association.

  12. Electrostatic contributions to protein retention in ion-exchange chromatography. 1. Cytochrome C variants.

    Science.gov (United States)

    Yao, Yan; Lenhoff, Abraham M

    2004-11-15

    Among the factors that modulate protein interactions, several protein structural properties, such as size, shape, and charge distribution, may play significant roles. In this work, we investigate the influence of protein structure on binding in ion-exchange chromatography, in which electrostatic interactions are dominant. Chromatographic experiments show separation of cytochrome c variants with a limited number of sequence differences to be feasible. To probe the molecular basis for this behavior, protein-adsorbent electrostatic interactions were modeled in the context of continuum electrostatics accounting for the full 3D protein structure. Protein retention was modeled by averaging over all protein-adsorbent configurations using the full accessible surface of the protein. The electrostatic interaction free energy distribution shows that configurations in which numerous positive protein charges are close to the cation exchanger functional groups produce the most favorable binding. The calculated binding equilibrium constant, found by averaging over the full 3D configurational space, captures the chromatographic differentiation of closely related cytochrome c variants. To obviate the need for full sampling of protein configurations, calculations of interaction free energies at short protein-adsorbent separation distances or of protein surface potentials were found to yield reasonable semiquantitative descriptions of the retention trends.

  13. On equilibrium charge distribution above dielectric surface

    Directory of Open Access Journals (Sweden)

    Yu.V. Slyusarenko

    2009-01-01

    Full Text Available The problem of the equilibrium state of the charged many-particle system above dielectric surface is formulated. We consider the case of the presence of the external attractive pressing field and the case of its absence. The equilibrium distributions of charges and the electric field, which is generated by these charges in the system in the case of ideally plane dielectric surface, are obtained. The solution of electrostatic equations of the system under consideration in case of small spatial heterogeneities caused by the dielectric surface, is also obtained. These spatial inhomogeneities can be caused both by the inhomogeneities of the surface and by the inhomogeneous charge distribution upon it. In particular, the case of the "wavy" spatially periodic surface is considered taking into account the possible presence of the surface charges.

  14. Electrostatic spherically symmetric configurations in gravitating nonlinear electrodynamics

    Science.gov (United States)

    Diaz-Alonso, J.; Rubiera-Garcia, D.

    2010-03-01

    We perform a study of the gravitating electrostatic spherically symmetric (G-ESS) solutions of Einstein field equations minimally coupled to generalized nonlinear Abelian gauge models in three space dimensions. These models are defined by Lagrangian densities which are general functions of the gauge field invariants, restricted by some physical conditions of admissibility. They include the class of nonlinear electrodynamics supporting electrostatic spherically symmetric (ESS) nontopological soliton solutions in absence of gravity. We establish that the qualitative structure of the G-ESS solutions of admissible models is fully characterized by the asymptotic and central-field behaviors of their ESS solutions in flat space (or, equivalently, by the behavior of the Lagrangian densities in vacuum and on the point of the boundary of their domain of definition, where the second gauge invariant vanishes). The structure of these G-ESS configurations for admissible models supporting divergent-energy ESS solutions in flat space is qualitatively the same as in the Reissner-Nordström case. In contrast, the G-ESS configurations of the models supporting finite-energy ESS solutions in flat space exhibit new qualitative features, which are discussed in terms of the Arnowitt-Deser-Misner mass, the charge, and the soliton energy. Most of the results concerning well-known models, such as the electrodynamics of Maxwell, Born-Infeld, and the Euler-Heisenberg effective Lagrangian of QED, minimally coupled to gravitation, are shown to be corollaries of general statements of this analysis.

  15. Three-dimensional flow and turbulence structure in electrostatic precipitator

    DEFF Research Database (Denmark)

    Ullum, Thorvald Uhrskov; Larsen, Poul Scheel; Özcan, Oktay

    2002-01-01

    Stereo PIV is employed to study the three-dimensional velocity and turbulence fields in a laboratory model of a negative corona, barbed-wire, smooth-plate, electrostatic precipitator (figure 1). The study is focused on determining the parametric effects of axial development, mean current density Jm...... and bulk velocity U0 on secondary flows and turbulence levels and structures due to the action of the three-dimensional electrostatic field on the charged gas. At constant bulk velocity (U0 = 1 m/s) and current density (Jm = 0.4 mA/m2), secondary flows in the form of rolls of axial vorticity with swirl...... of normal Reynolds stresses. The effects of U0 and Jm on S and Tu (at fixed position between 6th and 7th electrode) are reasonably correlated by the electrohydrodynamic modulus NEHD = (Jm/bi)ly/(½rU02), where bi denotes the ion mobility and ly the electrode-plate distance....

  16. Electrostatics control actin filament nucleation and elongation kinetics.

    Science.gov (United States)

    Crevenna, Alvaro H; Naredi-Rainer, Nikolaus; Schönichen, André; Dzubiella, Joachim; Barber, Diane L; Lamb, Don C; Wedlich-Söldner, Roland

    2013-04-26

    The actin cytoskeleton is a central mediator of cellular morphogenesis, and rapid actin reorganization drives essential processes such as cell migration and cell division. Whereas several actin-binding proteins are known to be regulated by changes in intracellular pH, detailed information regarding the effect of pH on the actin dynamics itself is still lacking. Here, we combine bulk assays, total internal reflection fluorescence microscopy, fluorescence fluctuation spectroscopy techniques, and theory to comprehensively characterize the effect of pH on actin polymerization. We show that both nucleation and elongation are strongly enhanced at acidic pH, with a maximum close to the pI of actin. Monomer association rates are similarly affected by pH at both ends, although dissociation rates are differentially affected. This indicates that electrostatics control the diffusional encounter but not the dissociation rate, which is critical for the establishment of actin filament asymmetry. A generic model of protein-protein interaction, including electrostatics, explains the observed pH sensitivity as a consequence of charge repulsion. The observed pH effect on actin in vitro agrees with measurements of Listeria propulsion in pH-controlled cells. pH regulation should therefore be considered as a modulator of actin dynamics in a cellular environment.

  17. Electrostatics Control Actin Filament Nucleation and Elongation Kinetics*

    Science.gov (United States)

    Crevenna, Alvaro H.; Naredi-Rainer, Nikolaus; Schönichen, André; Dzubiella, Joachim; Barber, Diane L.; Lamb, Don C.; Wedlich-Söldner, Roland

    2013-01-01

    The actin cytoskeleton is a central mediator of cellular morphogenesis, and rapid actin reorganization drives essential processes such as cell migration and cell division. Whereas several actin-binding proteins are known to be regulated by changes in intracellular pH, detailed information regarding the effect of pH on the actin dynamics itself is still lacking. Here, we combine bulk assays, total internal reflection fluorescence microscopy, fluorescence fluctuation spectroscopy techniques, and theory to comprehensively characterize the effect of pH on actin polymerization. We show that both nucleation and elongation are strongly enhanced at acidic pH, with a maximum close to the pI of actin. Monomer association rates are similarly affected by pH at both ends, although dissociation rates are differentially affected. This indicates that electrostatics control the diffusional encounter but not the dissociation rate, which is critical for the establishment of actin filament asymmetry. A generic model of protein-protein interaction, including electrostatics, explains the observed pH sensitivity as a consequence of charge repulsion. The observed pH effect on actin in vitro agrees with measurements of Listeria propulsion in pH-controlled cells. pH regulation should therefore be considered as a modulator of actin dynamics in a cellular environment. PMID:23486468

  18. Evaluation of an Electrostatic Dust Removal System with Potential Application in Next-Step Fusion Devices

    Science.gov (United States)

    Friesen, F. Q. L.; John, B.; Skinner, C. H.; Roquemore, L.; Calle, C.

    2010-11-01

    The ability to manage inventories of dust will become increasingly important as fusion devices become larger and operate with a higher duty cycle. An electrostatic dust conveyor, originally developed to remove dust from solar panels on planetary rovers, has been tested for applicability to fusion devices. It consists of a spiral pattern of three indium tin oxide traces on a glass substrate that is biased to produce a surface electrostatic traveling wave. A digital microscope measured the particle size distribution before and after operation. The transport efficiency for different particle sizes of tungsten, carbon from an NSTX tile, fine glass spheres, and sand versus given different pre-charge voltages, pre-charge durations, driving amplitudes, and driving frequencies, will be presented. The results will be used to determine the optimal settings for a dust conveyor demonstration on NSTX.

  19. PCE: web tools to compute protein continuum electrostatics

    Science.gov (United States)

    Miteva, Maria A.; Tufféry, Pierre; Villoutreix, Bruno O.

    2005-01-01

    PCE (protein continuum electrostatics) is an online service for protein electrostatic computations presently based on the MEAD (macroscopic electrostatics with atomic detail) package initially developed by D. Bashford [(2004) Front Biosci., 9, 1082–1099]. This computer method uses a macroscopic electrostatic model for the calculation of protein electrostatic properties, such as pKa values of titratable groups and electrostatic potentials. The MEAD package generates electrostatic energies via finite difference solution to the Poisson–Boltzmann equation. Users submit a PDB file and PCE returns potentials and pKa values as well as color (static or animated) figures displaying electrostatic potentials mapped on the molecular surface. This service is intended to facilitate electrostatics analyses of proteins and thereby broaden the accessibility to continuum electrostatics to the biological community. PCE can be accessed at . PMID:15980492

  20. Nanofibre production in spiders without electric charge.

    Science.gov (United States)

    Joel, Anna-Christin; Baumgartner, Werner

    2017-06-15

    Technical nanofibre production is linked to high voltage, because nanofibres are typically produced by electrospinning. In contrast, spiders have evolved a way to produce nanofibres without high voltage. These spiders are called cribellate spiders and produce nanofibres within their capture thread production. It is suggested that their nanofibres become frictionally charged when brushed over a continuous area on the calamistrum, a comb-like structure at the metatarsus of the fourth leg. Although there are indications that electrostatic charges are involved in the formation of the thread structure, final proof is missing. We proposed three requirements to validate this hypothesis: (1) the removal of any charge during or after thread production has an influence on the structure of the thread; (2) the characteristic structure of the thread can be regenerated by charging; and (3) the thread is attracted to or repelled from differently charged objects. None of these three requirements were proven true. Furthermore, mathematical calculations reveal that even at low charges, the calculated structural assembly of the thread does not match the observed reality. Electrostatic forces are therefore not involved in the production of cribellate capture threads. © 2017. Published by The Company of Biologists Ltd.

  1. Pickering emulsions stabilized by charged nanoparticles.

    Science.gov (United States)

    Ridel, Laure; Bolzinger, Marie-Alexandrine; Gilon-Delepine, Nicole; Dugas, Pierre-Yves; Chevalier, Yves

    2016-09-28

    The stabilization of o/w Pickering emulsions in cases of weak adsorption of solid particles at the surface of oil droplets is addressed. Though the adsorption is usually very strong and irreversible when partial wetting conditions are fulfilled, electrostatic repulsions between charged solid particles act against the adsorption. The regime of weak adsorption was reached using charged silica nanoparticles at high pH and low ionic strength. O/w Pickering emulsions of the diisopropyl adipate oil were stabilized by colloidal nanoparticles of Ludox® AS40 consisting of non-aggregated particles of bare silica (hydrophilic). The combination of stability assessment, droplet size and electrokinetic potential measurements at various pH values, adsorption isotherms and cryo-SEM observations of the adsorbed layers disclosed the specificities of the stabilization of Pickering emulsions by adsorption of solid nanoparticles against strong electrostatic repulsions. Not only the long-term stability of emulsions was poor under strong electrostatic repulsions at high pH, but emulsification failed since full dispersion of oil could not be achieved. Emulsion stability was ensured by decreasing electrostatic repulsions by lowering the pH from 9 to 3. Stable emulsions were stabilized by a monolayer of silica particles at 54% coverage of the oil droplet surface at low silica content and an adsorption regime as multilayers was reached at higher concentrations of silica although there was no aggregation of silica in the bulk aqueous phase.

  2. Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin.

    Science.gov (United States)

    Pozzi, Nicola; Zerbetto, Mirco; Acquasaliente, Laura; Tescari, Simone; Frezzato, Diego; Polimeno, Antonino; Gohara, David W; Di Cera, Enrico; De Filippis, Vincenzo

    2016-07-19

    Thrombin exists as an ensemble of active (E) and inactive (E*) conformations that differ in their accessibility to the active site. Here we show that redistribution of the E*-E equilibrium can be achieved by perturbing the electrostatic properties of the enzyme. Removal of the negative charge of the catalytic Asp102 or Asp189 in the primary specificity site destabilizes the E form and causes a shift in the 215-217 segment that compromises substrate entrance. Solution studies and existing structures of D102N document stabilization of the E* form. A new high-resolution structure of D189A also reveals the mutant in the collapsed E* form. These findings establish a new paradigm for the control of the E*-E equilibrium in the trypsin fold.

  3. Germanium based electrostatic quantum dots: design and characterization.

    Science.gov (United States)

    Mazzeo, Giovanni; Yablonovitch, Eli; Jiang, Hong-Wen

    2010-03-01

    While the less mature Germanium technology requires an extra effort for the realization of single electron quantum dots, unique properties of Germanium rich heterostructures together with spin coherence times comparable to Silicon, can justify the development of such new technology. We report our progresses on the formation of electrostatic quantum dots in Germanium. We employ an MOS-like structure with no modulation doping already successfully proven in Silicon devices. A two level gate stack is used: the top gate is positively biased to attract electrons while the lowers gates are negatively biased to form the quantum dot and attract holes in a transistor channel, used to detect the electrons in the adjacent quantum dot. Finite Element Method simulations are used to prove the concept of this hybrid holes-transistor/electron-QD device and estimate the sensitivity of the charge detection. Preliminary characterizations of quantum dot devices built with this structure are reported.

  4. Status of the Frankfurt low energy electrostatic storage ring (FLSR)

    Science.gov (United States)

    King, F.; Kruppi, T.; Müller, J.; Dörner, R.; Schmidt, L. Ph H.; Schmidt-Böcking, H.; Stiebing, K. E.

    2015-11-01

    Frankfurt low-energy storage ring (FLSR) is an electrostatic storage ring for low-energy ions up to q · 80 keV (q being the ion charge state) at Institut für Kernphysik der Goethe-Universität, Frankfurt am Main, Germany. It has especially been designed to provide a basis for experiments on the dynamics of ionic and molecular collisions in complete kinematics, as well as for high precision and time resolved laser spectroscopy. The ring has ‘racetrack’ geometry with a circumference of 14.23 m. It comprises four experimental/diagnostic sections with regions of enhanced ion density (interaction regions). First beam has successfully been stored in FLSR in summer 2013. Since then the performance of the ring has continuously been improved and an electron target for experiments on dissociative recombination has been installed in one of the experimental sections.

  5. Electrostatics of a simple membrane model using Green's functions formalism.

    Science.gov (United States)

    von Kitzing, E; Soumpasis, D M

    1996-01-01

    The electrostatics of a simple membrane model picturing a lipid bilayer as a low dielectric constant slab immersed in a homogeneous medium of high dielectric constant (water) can be accurately computed using the exact Green's functions obtainable for this geometry. We present an extensive discussion of the analysis and numerical aspects of the problem and apply the formalism and algorithms developed to the computation of the energy profiles of a test charge (e.g., ion) across the bilayer and a molecular model of the acetylcholine receptor channel embedded in it. The Green's function approach is a very convenient tool for the computer simulation of ionic transport across membrane channels and other membrane problems where a good and computationally efficient first-order treatment of dielectric polarization effects is crucial. PMID:8842218

  6. Electrostatically Induced Quantum Point Contacts in Bilayer Graphene.

    Science.gov (United States)

    Overweg, Hiske; Eggimann, Hannah; Chen, Xi; Slizovskiy, Sergey; Eich, Marius; Pisoni, Riccardo; Lee, Yongjin; Rickhaus, Peter; Watanabe, Kenji; Taniguchi, Takashi; Fal'ko, Vladimir; Ihn, Thomas; Ensslin, Klaus

    2018-01-10

    We report the fabrication of electrostatically defined nanostructures in encapsulated bilayer graphene, with leakage resistances below depletion gates as high as R ∼ 10 GΩ. This exceeds previously reported values of R = 10-100 kΩ.1-3 We attribute this improvement to the use of a graphite back gate. We realize two split gate devices which define an electronic channel on the scale of the Fermi-wavelength. A channel gate covering the gap between the split gates varies the charge carrier density in the channel. We observe device-dependent conductance quantization of ΔG = 2e2/h and ΔG = 4e2/h. In quantizing magnetic fields normal to the sample plane, we recover the four-fold Landau level degeneracy of bilayer graphene. Unexpected mode crossings appear at the crossover between zero magnetic field and the quantum Hall regime.

  7. Identifying Student Use of Ball-and-Stick Images versus Electrostatic Potential Map Images via Eye Tracking

    Science.gov (United States)

    Williamson, Vickie M.; Hegarty, Mary; Deslongchamps, Ghislain; Williamson, Kenneth C., III

    2013-01-01

    This pilot study examined students' use of ball-and-stick images versus electrostatic potential maps when asked questions about electron density, positive charge, proton attack, and hydroxide attack with six different molecules (two alcohols, two carboxylic acids, and two hydroxycarboxylic acids). Students' viewing of these dual images…

  8. Airspeed and orifice size affect spray droplet spectra from an aerial electrostatic nozzle for rotary-wing applications

    Science.gov (United States)

    The aerial electrostatic spraying system patented by the USDA-ARS is a unique aerial application system which inductively charges spray droplets for the purpose of increasing deposition and efficacy. While this system has many potential benefits, no published data exits which describe how changes i...

  9. Airspeed and orifice size affect spray droplet spectrum from an aerial electrostatic nozzle for fixed-wing applications

    Science.gov (United States)

    The aerial electrostatic spraying system patented by the USDA ARS is a unique aerial application system which inductively charges spray particles for the purpose of increasing deposition and efficacy. While this system has many potential benefits, very little is known about how changes in airspeed o...

  10. Analysis of the operating parameters of a vortex electrostatic precipitator

    Science.gov (United States)

    Lu, Congxiang; Yi, Chengwu; Yi, Rongjie; Liu, Shiwen

    2017-02-01

    A vortex electrostatic precipitator (VEP) forms a vortex flow field within a precipitator by means of the vertical staggered layout of the double-vortex collecting plate facing the direction of the gas flow. The ion concentrations within the precipitator can be significantly increased. Correspondingly, the charging and coagulation rates of fine particles and particle migration velocity are significantly improved within the VEP. Since it can effectively collect fine particles and reduce precipitator size, VEPs represent a new type of electrostatic precipitator with great application potential. In this work the change curve of the external voltage, gas velocity, row spacing and effective collecting area influencing the precipitation efficiency were acquired through a single-factor experiment. Using an orthogonal regression design, attempts were made to analyze the major operating parameters influencing the collecting efficiency of fine particles, establish a multiple linear regression model and analyze the weights of factors and then acquire quantitative rules relating experimental indicators and factors. The regression model was optimized by MATLAB programming, and we then obtained the optimal factor combination which can enhance the efficiency of fine particle collection. The final optimized result is that: when gas velocity is 3.4 m s-1, the external voltage is 18 kV, row spacing is 100 mm and the effective collecting area is 1.13 m2, the rate of fine particle collection is 89.8867%. After determining and analyzing the state of the internal flow field within the VEP by particle image velocimetry (PIV), the results show that, for a particular gas velocity, a vortex zone and laminar zone are distinctly formed within the VEP, which increases the ion transport ratio as well as the charging, coagulation and collection rates of fine particles within the precipitator, thus making further improvements in the efficiency of fine particle collection.

  11. The first step in layer-by-layer deposition: Electrostatics and/or non-electrostatics?

    NARCIS (Netherlands)

    Lyklema, J.; Deschênes, L.

    2011-01-01

    A critical discussion is presented on the properties and prerequisites of adsorbed polyelectrolytes that have to function as substrates for further layer-by-layer deposition. The central theme is discriminating between the roles of electrostatic and non-electrostatic interactions. In order to

  12. Correlated Electrostatic Mutations Provide a Reservoir of Stability in HIV Protease

    Science.gov (United States)

    Haq, Omar; Andrec, Michael; Morozov, Alexandre V.; Levy, Ronald M.

    2012-01-01

    HIV protease, an aspartyl protease crucial to the life cycle of HIV, is the target of many drug development programs. Though many protease inhibitors are on the market, protease eventually evades these drugs by mutating at a rapid pace and building drug resistance. The drug resistance mutations, called primary mutations, are often destabilizing to the enzyme and this loss of stability has to be compensated for. Using a coarse-grained biophysical energy model together with statistical inference methods, we observe that accessory mutations of charged residues increase protein stability, playing a key role in compensating for destabilizing primary drug resistance mutations. Increased stability is intimately related to correlations between electrostatic mutations – uncorrelated mutations would strongly destabilize the enzyme. Additionally, statistical modeling indicates that the network of correlated electrostatic mutations has a simple topology and has evolved to minimize frustrated interactions. The model's statistical coupling parameters reflect this lack of frustration and strongly distinguish like-charge electrostatic interactions from unlike-charge interactions for of the most significantly correlated double mutants. Finally, we demonstrate that our model has considerable predictive power and can be used to predict complex mutation patterns, that have not yet been observed due to finite sample size effects, and which are likely to exist within the larger patient population whose virus has not yet been sequenced. PMID:22969420

  13. Beyond the continuum: how molecular solvent structure affects electrostatics and hydrodynamics at solid-electrolyte interfaces.

    Science.gov (United States)

    Bonthuis, Douwe Jan; Netz, Roland R

    2013-10-03

    Standard continuum theory fails to predict several key experimental results of electrostatic and electrokinetic measurements at aqueous electrolyte interfaces. In order to extend the continuum theory to include the effects of molecular solvent structure, we generalize the equations for electrokinetic transport to incorporate a space dependent dielectric profile, viscosity profile, and non-electrostatic interaction potential. All necessary profiles are extracted from atomistic molecular dynamics (MD) simulations. We show that the MD results for the ion-specific distribution of counterions at charged hydrophilic and hydrophobic interfaces are accurately reproduced using the dielectric profile of pure water and a non-electrostatic repulsion in an extended Poisson-Boltzmann equation. The distributions of Na(+) at both surface types and Cl(-) at hydrophilic surfaces can be modeled using linear dielectric response theory, whereas for Cl(-) at hydrophobic surfaces it is necessary to apply nonlinear response theory. The extended Poisson-Boltzmann equation reproduces the experimental values of the double-layer capacitance for many different carbon-based surfaces. In conjunction with a generalized hydrodynamic theory that accounts for a space dependent viscosity, the model captures the experimentally observed saturation of the electrokinetic mobility as a function of the bare surface charge density and the so-called anomalous double-layer conductivity. The two-scale approach employed here-MD simulations and continuum theory-constitutes a successful modeling scheme, providing basic insight into the molecular origins of the static and kinetic properties of charged surfaces, and allowing quantitative modeling at low computational cost.

  14. Modelling Particulate Removal in Tubular Wet Electrostatic Precipitators Using a Modified Drift Flux Model

    Directory of Open Access Journals (Sweden)

    S Ramechecandane

    2016-09-01

    Full Text Available Tubular electrostatic precipitators (ESP have been used in a number of chemical processing industries. The tubular ESPs have many advantages over conventional plate-plate and wire-plate ESPs. The present study is concerned with the numerical modeling of particulate removal in a tubular wet single-stage electrostatic precipitator (wESP. The geometric parameters of a model wESP and the corresponding inlet gas velocities for the wESP are chosen from available experimental data. In addition to the RNG k - ε model for the mean turbulent flow field inside the wESP, the Poisson equation for the electric field, the charge continuity equation and the concentration equation are solved sequentially to obtain a full-fledged solution to the problem under investigation. The proposed drift flux model is implemented in the opensource CFD code OpenFOAM®. The paper discusses the influence of the number of charges acquired by the particles and the corresponding inlet gas velocities on particle concentration distribution within the wESP. Two representative cases with monodispersed particles of 1 μm and 10 μm diameter are considered for the numerical analysis. It is seen from the present analysis that the number of units of charge on particles, the particle size and the inlet gas velocities play a vital role in determining the efficiency of electrostatic precipitation.

  15. [Enterprising tendencies of nurses in a university hospital].

    Science.gov (United States)

    Costa, Fabiana Gallo; Vaghetti, Helena Heidtmann; Martinello, Daniela Faustino Gonçalves; Mendes, Daniel Pinho; Terra, Alessandra Chaves; Alvarez, Simone Quadros; Lemos, Luiz Augusto Pinto

    2013-09-01

    Quantitative study aimed to identify the enterprising tendency of nurses at a university hospital and to relate them with age, length of work in the hospital and conclusion of the nursing course. This cross-sectional quantitative study was developed in 2010. All 60 nurses from the hospital answered the questionnaire General measure of Enterprising Tendency, which contains five categories. In the creativity category one nurse obtained two points; in need for achievement one nurse totaled 12 points; one nurse obtained two points; in motivation four nurses achieved higher scores; in taking calculated risks, the highest score was 10 points, in autonomy, nine nurses obtained one point each. Individuals aged between 27 and 33 years showed higher enterprising tendencies. Reduced enterprising tendencies were found for nurses aged between 43 and 56 years, graduated more than 17 years ago and with a greater length of work. Actions are necessary to encourage nurses in the age range of enterprising tendency decline and those who graduated longer ago and who have worked for a longer period of time in the hospital.

  16. Does mood state change risk taking tendency in older adults?

    Science.gov (United States)

    Chou, Kee-Lee; Lee, Tatia M C; Ho, Andy H Y

    2007-06-01

    No study has been conducted to evaluate the influences of age differences on specific moods for risk taking tendencies. This study examined the patterns of risk taking tendencies among younger and older persons in 3 transient affective states: positive, neutral, and negative moods. By means of viewing happy, neutral, or sad movie clips, participants were induced to the respective mood. Risk taking tendencies were measured with decision tasks modified from the Choice Dilemmas Questionnaire (N. Kogan & M. A. Wallach, 1964). Consistent with the affect infusion model (J. P. Forgas, 1995), risk taking tendency was greater for those individuals who were in a happy mood than for those who were in a sad mood, for both young and older participants. However, an asymmetrical effect of positive and negative mood on risk taking tendency was identified among both the young and older participants, but in opposite directions. These results are consistent with the predictions of the negativity bias and the positivity effect found in young and older adults, respectively, and are interpreted via information processing and motivation effects of mood on the decision maker. ((c) 2007 APA, all rights reserved).

  17. Assessment of Atomic Charge Models for Gas-Phase Computations on Polypeptides.

    Science.gov (United States)

    Verstraelen, Toon; Pauwels, Ewald; De Proft, Frank; Van Speybroeck, Veronique; Geerlings, Paul; Waroquier, Michel

    2012-02-14

    The concept of the atomic charge is extensively used to model the electrostatic properties of proteins. Atomic charges are not only the basis for the electrostatic energy term in biomolecular force fields but are also derived from quantum mechanical computations on protein fragments to get more insight into their electronic structure. Unfortunately there are many atomic charge schemes which lead to significantly different results, and it is not trivial to determine which scheme is most suitable for biomolecular studies. Therefore, we present an extensive methodological benchmark using a selection of atomic charge schemes [Mulliken, natural, restrained electrostatic potential, Hirshfeld-I, electronegativity equalization method (EEM), and split-charge equilibration (SQE)] applied to two sets of penta-alanine conformers. Our analysis clearly shows that Hirshfeld-I charges offer the best compromise between transferability (robustness with respect to conformational changes) and the ability to reproduce electrostatic properties of the penta-alanine. The benchmark also considers two charge equilibration models (EEM and SQE), which both clearly fail to describe the locally charged moieties in the zwitterionic form of penta-alanine. This issue is analyzed in detail because charge equilibration models are computationally much more attractive than the Hirshfeld-I scheme. Based on the latter analysis, a straightforward extension of the SQE model is proposed, SQE+Q(0), that is suitable to describe biological systems bearing many locally charged functional groups.

  18. Spreading of charged micro-droplets

    Directory of Open Access Journals (Sweden)

    Joseph Iaia

    2013-09-01

    Full Text Available We consider the spreading of a charged microdroplet on a flat dielectric surface whose spreading is driven by surface tension and electrostatic repulsion. This leads to a third order nonlinear partial differential equation that gives the evolution of the height profile. Assuming the droplets are circular we are able to prove existence of solutions with infinite contact angle and in many cases we are able to prove nonexistence of solutions with finite contact angle.

  19. Electrostatic adhesion testing of electronic metallizations

    Science.gov (United States)

    Yang, H. S.; Brotzen, F. R.; Callahan, D. L.; Dunn, C. F.

    1997-06-01

    A novel technique is developed to measure quantitatively the adhesion strength of metallizations deposited on substrates such as silicon. Electrostatic adhesion testing employs electrostatic forces to generate delaminating stresses in thin metallic films. The interfacial adhesion strength is readily calculated from the electrode geometry and the applied electrostatic field at failure. Unlike other adhesion tests, this technique does not require any mechanical contact and is virtually independent of the plastic deformation of the film. Furthermore, this test provides direct strength measurements as opposed to work or energy of adhesion measurements obtained by the common peel test. The adhesion strengths of several metallizations (Cu, Al) are characterized using the electrostatic technique. The distribution of stress-at-failure data follows Weibull failure statistics. Field emission scanning electron microscopy reveals that the films are delaminated in a microblister-type mode. It is shown that electrostatic adhesion testing is effective in providing quantitative values for the adhesion strengths and failure probabilities of thin-film metallizations.

  20. Insulator - Insulator Contact Charging as a Function of Pressure

    Science.gov (United States)

    Hogue, Michael D.; Mucciolo, E. R.; Calle, C. I.

    2006-01-01

    Metal - metal and metal - insulator contact or triboelectric charging are well known phenomena with good theoretical understanding of the charge exchange mechanism. However, insulator - insulator charging is not as well understood. Theoretical and experimental research has been performed that shows that the surface charge on an insulator after triboelectric charging with another insulator is rapidly dissipated with lowered atmospheric pressure. This pressure discharge is consistent with surface ions being evaporated off the surface once their vapor pressure is attained. A two-phase equilibrium model based on an ideal gas of singly charged ions in equilibrium with a submonolayer adsorbed film was developed to describe the pressure dependence of the surface charge on an insulator. The resulting charge density equation is an electrostatic version of the Langmuir isotherm.

  1. Electrostatic stabilization of a thermophilic cold shock protein.

    Science.gov (United States)

    Perl, D; Schmid, F X

    2001-10-19

    The cold shock protein Bc-Csp from the thermophile Bacillus caldolyticus differs from its mesophilic homolog Bs-CspB from Bacillus subtilis by 15.8 kJ mol(-1) in the Gibbs free energy of denaturation (DeltaG(D)). The two proteins vary in sequence at 12 positions but only two of them, Arg3 and Leu66 of Bc-Csp, which replace Glu3 and Glu66 of Bs-CspB, are responsible for the additional stability of Bc-Csp. These two positions are near the ends of the protein chain, but close to each other in the three-dimensional structure. The Glu3Arg exchange alone changed the stability by more than 11 kJ mol(-1). Here, we elucidated the molecular origins of the stability difference between the two proteins by a mutational analysis. Electrostatic contributions to stability were characterized by measuring the thermodynamic stabilities of many variants as a function of salt concentration. Double and triple mutant analyses indicate that the stabilization by the Glu3Arg exchange originates from three sources. Improved hydrophobic interactions of the aliphatic moiety of Arg3 contribute about 4 kJ mol(-1). Another 4 kJ mol(-1) is gained from the relief of a pairwise electrostatic repulsion between Glu3 and Glu66, as in the mesophilic protein, and 3 kJ mol(-1) originate from a general electrostatic stabilization by the positive charge of Arg3, which is not caused by a pairwise interaction. Mutations of all potential partners for an ion pair within a radius of 10 A around Arg3 had only marginal effects on stability. The Glu3-->Arg3 charge reversal thus optimizes ionic interactions at the protein surface by both local and global effects. However, it cannot convert the coulombic repulsion with another Glu residue into a corresponding attraction. Avoidance of unfavorable coulombic repulsions is probably a much simpler route to thermostability than the creation of stabilizing surface ion pairs, which can form only at the expense of conformational entropy. Copyright 2001 Academic Press.

  2. Protein-water electrostatics and principles of bioenergetics.

    Science.gov (United States)

    Lebard, David N; Matyushov, Dmitry V

    2010-12-21

    Despite its diversity, life universally relies on a simple basic mechanism of energy transfer in its energy chains-hopping electron transport between centers of electron localization on hydrated proteins and redox cofactors. Since many such hops connect the point of energy input with a catalytic site where energy is stored in chemical bonds, the question of energy losses in (nearly activationless) electron hops, i.e., energetic efficiency, becomes central for the understanding of the energetics of life. We show here that standard considerations based on rules of Gibbs thermodynamics are not sufficient, and the dynamics of the protein and the protein-water interface need to be involved. The rate of electronic transitions is primarily sensitive to the electrostatic potential at the center of electron localization. Numerical simulations show that the statistics of the electrostatic potential produced by hydration water are strongly non-Gaussian, with the breadth of the electrostatic noise far exceeding the expectations of the linear response. This phenomenon, which dramatically alters the energetic balance of a charge-transfer chain, is attributed to the formation of ferroelectric domains in the protein's hydration shell. These dynamically emerging and dissipating domains make the shell enveloping the protein highly polar, as gauged by the variance of the shell dipole which correlates with the variance of the protein dipole. The Stokes-shift dynamics of redox-active proteins are dominated by a slow component with the relaxation time of 100-500 ps. This slow relaxation mode is frozen on the time-scale of fast reactions, such as bacterial charge separation, resulting in a dramatically reduced reorganization free energy of fast electronic transitions. The electron transfer activation barrier becomes a function of the corresponding rate, self-consistently calculated from a non-ergodic version of the transition-state theory. The peculiar structure of the protein

  3. Examination of the Prosocial and Aggressive Tendencies of Preservice Teachers

    Directory of Open Access Journals (Sweden)

    Özlem GÖZÜN KAHRAMAN

    2013-12-01

    Full Text Available The purpose of the study was to investigate the relationship between gender and the witnessed interparental violence during childhood and the prosocial and aggressive tendencies of 586 senior class students enrolled at the faculty of education of a university at the Eastern Anatolian Region. The research is a survey model and a socio-demographic survey, and ‘Prosocial Behavior Tendency Scale' and ‘Aggressiveness Scale' were applied to the participants. The applied statistical techniques included descriptive statistics, one-way ANOVA, and t test for independent groups. In conclusion, it is stated that gender and witnessed interparental violence were to affect the prosocial and aggressive tendencies of the participants.

  4. Novel parallel plate condenser for single particle electrostatic force measurements in atomic force microscope

    KAUST Repository

    Kwek, Jin Wang

    2011-07-01

    A combination of small parallel plate condenser with Indium Tin Oxide (ITO) glass slides as electrodes and an atomic force microscope (AFM) is used to characterize the electrostatic behavior of single glass bead microparticles (105-150 μm) glued to the AFM cantilever. This novel setup allows measurements of the electrostatic forces acting on a particle in an applied electrical field to be performed in ambient air conditions. By varying the position of the microparticle between the electrodes and the strength of the applied electric field, the relative contributions of the particle net charge, induced and image charges were investigated. When the microparticle is positioned in the middle of the electrodes, the force acting on the microparticle was linear with the applied electric field and proportional to the microparticle net charge. At distances close to the bottom electrode, the force follows a parabolic relationship with the applied electric field reflecting the contributions of induced and image charges. The method can be used for the rapid evaluation of the charging and polarizability properties of the microparticle as well as an alternative to the conventional Faraday\\'s pail technique. © 2011 Elsevier B.V.

  5. Electrostatic Evaluation of the ARES I FTS Antenna Materials

    Science.gov (United States)

    Hogue, Michael D.; Calle, Carlos I.

    2010-01-01

    Surface resistivity and volume resistivity data show all the tested non-metallic materials of the Ares I FTS antenna assembly to be insulative. The external materials (White foam, phenolic) should be able to develop a large surface charge density upon tribocharging with ice crystal impingement. Dielectric breakdown tests on the FTS antenna housing materials show that each of the insulative materials are very resistive to electrical breakdown. The thicknesses of these materials in a nominal housing should protect the antenna from direct breakdown from external triboelectric charging potentials. Per data from the Air Force study, a maximum external electric potential in the range of 100kV can be developed on surfaces tribocharged by ice crystal impingement. Testing showed that under operational pressure ranges, this level of exterior voltage can result in a potential of about 6 kV induced on the electrically floating interior antenna vanes. Testing the vanes up to this voltage level showed that electrostatic discharges can occur between the electrically floating vanes and the center, grounded screw heads. Repeated tests with multiple invisible and visible discharges caused only superficial physical damage to the vanes. Fourier analysis of the discharge signals showed that the frequency range of credible discharges would not interfere with the nominal operation of the FTS antenna. However, due to the limited scope, short timetable, and limited funding of this study, a direct measurement of the triboelectric charge that could be generated on the Ares I antenna housing when the rocket traverses an ice cloud at supersonic speeds was not performed. Instead, data for the limited Air Force study [3] was used as input for our experiments. The Air Force data used was not collected with a sensor located to provide us with the best approximation at the geometry of the Ares I rocket, namely that of the windshield electrometer, because brush discharges to the metal frame of the

  6. Competition of electrostatic and hydrophobic interactions between small hydrophobes and model enclosures.

    Science.gov (United States)

    Wang, Lingle; Friesner, Richard A; Berne, B J

    2010-06-03

    The binding affinity between a probe hydrophobic particle and model hydrophobic plates with different charge (or dipole) densities in water was investigated through molecular dynamics simulation free-energy perturbation calculations. We observed a reduced binding affinity when the plates are charged, in agreement with previous findings. With increased charge density, the plates can change from "hydrophobic like" (pulling the particle into the interplate region) to "hydrophilic like" (ejecting the particle out of the interplate region), demonstrating the competition between hydrophobic and electrostatic interactions. The reduction of the binding affinity is quadratically dependent on the magnitude of the charge for symmetric systems, but linear and cubic terms also make a contribution for asymmetric systems. Statistical perturbation theory explains these results and shows when and why implicit solvent models fail.

  7. Electrostatic attraction between cationic-anionic assemblies with surface compositional heterogeneities

    Science.gov (United States)

    Velichko, Yury; Olvera de La Cruz, Monica

    2006-03-01

    Biological assemblies of heterogenous cationic and anionic molecules with hydrophobic groups have important functional properties controlled by interdependencies of the architectures and the intermolecular interactions. The net incompatibility among chemically different charged components, which in water can be due to different degrees of hydrophobicity, promotes macroscopic segregation, while electrostatics promotes mixing of the charges into ionic crystal structure. This competition results in formation of surface charge domains. We analyze attractions among two cylindrical assemblies with surface charge heterogeneities. The compositional heterogeneities are correlated and strongly polarized in the presence of the second assembly. This leads to a strong attraction. The strength of the effective attraction is studied as a function of the distance for different values of the net incompatibility. We compare results of computer simulations and theory.

  8. Nonlinear dynamics of resistive electrostatic drift waves

    DEFF Research Database (Denmark)

    Korsholm, Søren Bang; Michelsen, Poul; Pécseli, H.L.

    1999-01-01

    The evolution of weakly nonlinear electrostatic drift waves in an externally imposed strong homogeneous magnetic field is investigated numerically in three spatial dimensions. The analysis is based on a set of coupled, nonlinear equations, which are solved for an initial condition which is pertur......The evolution of weakly nonlinear electrostatic drift waves in an externally imposed strong homogeneous magnetic field is investigated numerically in three spatial dimensions. The analysis is based on a set of coupled, nonlinear equations, which are solved for an initial condition which...... is perturbed by a small amplitude incoherent wave-field. The initial evolution is exponential, following the growth of perturbations predicted by linear stability theory. The fluctuations saturate at relatively high amplitudes, by forming a pair of magnetic field aligned vortex-like structures of opposite...... polarity, i.e. a pair of electrostatic convective cells....

  9. Electrostatic Stabilization of Graphene in Organic Dispersions.

    Science.gov (United States)

    Rodgers, Andrew N J; Velický, Matěj; Dryfe, Robert A W

    2015-12-08

    The exfoliation of graphite to give graphene dispersions in nonaqueous solvents is an important area with regards to scalable production of graphene in bulk quantities and its ultimate application in devices. Understanding the mechanisms governing the stability of these dispersions is therefore of both scientific interest and technological importance. Herein, we have used addition of an indifferent electrolyte to perturb few-layer graphene dispersions in a nonaqueous solvent (1,2-dichloroethane) as a way to probe the importance of interparticle electrostatic repulsions toward the overall dispersion stability. At a sufficient electrolyte concentration, complete sedimentation of the dispersions occurred over 24 h, and the relationship between dispersed graphene concentration and electrolyte concentration was consistent with a dispersion stabilized by electrostatic repulsions. We also found that an increased oxygen content in the graphite starting material produced dispersions of greater stability, indicating that the extent of oxidation is an important parameter in determining the extent of electrostatic stabilization in nonaqueous graphene dispersions.

  10. The ZS Electrostatic Septa Ion Traps control

    CERN Document Server

    Barlow, R A; Laffin, M; Balhan, B

    2011-01-01

    The SPS is equipped with a North extraction channel to a fixed target beam line. This channel is equipped with an extraction chain that comprises electrostatic and electromagnetic septa that contribute to the extraction process of the proton beam. The electrostatic septa (ZS) are the extraction elements that can cause the most problems during operation, this is mainly due to the combination of high fields and high voltages within the equipment. There are several systems that protect the equipment against the effects of which the 'ion trap system'. The ion trap is a cleaning electrode device and these are placed in the field-free region containing the circulating beam. They remove ions produced by beam interactions within the residual gas molecules. They are powered by power supplies that can output up to -10 kV with a range of -500 µA max. This internal note concerns the electronics and control of the ZS electrostatic septa ion traps.

  11. A Direct Driver for Electrostatic Transducers

    DEFF Research Database (Denmark)

    Nielsen, Dennis; Knott, Arnold; Andersen, Michael A. E.

    2014-01-01

    Electrostatic transducers represent a very interesting alternative to the traditional inefficient electrodynamic transducers. In order to establish the full potential of these transducers, power amplifiers which fulfill the strict requirements imposed by such loads (high impedance, frequency depe...... depended, nonlinear and high bias voltage for linearization) must be developed. This paper analyzes a power stage suitable for driving an electrostatic transducer under biasing. Measurement results of a ±400 V prototype amplifier are shown. THD below 1% is reported.......Electrostatic transducers represent a very interesting alternative to the traditional inefficient electrodynamic transducers. In order to establish the full potential of these transducers, power amplifiers which fulfill the strict requirements imposed by such loads (high impedance, frequency...

  12. Charged particles constrained to a curved surface

    CERN Document Server

    Müller, Thomas

    2012-01-01

    We study the motion of charged particles constrained to arbitrary two-dimensional curved surfaces but interacting in three-dimensional space via the Coulomb potential. To speed-up the interaction calculations, we use the parallel compute capability of the Compute Unified Device Architecture (CUDA) of todays graphics boards. The particles and the curved surfaces are shown using the Open Graphics Library (OpenGL). The paper is intended to give graduate students, who have basic experiences with electrostatics and differential geometry, a deeper understanding in charged particle interactions and a short introduction how to handle a many particle system using parallel computing on a single home computer

  13. The net charge at interfaces between insulators

    Science.gov (United States)

    Bristowe, N. C.; Littlewood, P. B.; Artacho, Emilio

    2011-03-01

    The issue of the net charge at insulating oxide interfaces is briefly reviewed with the ambition of dispelling myths of such charges being affected by covalency and related charge density effects. For electrostatic analysis purposes, the net charge at such interfaces is defined by the counting of discrete electrons and core ion charges, and by the definition of the reference polarization of the separate, unperturbed bulk materials. The arguments are illustrated for the case of a thin film of LaAlO3 over SrTiO3 in the absence of free carriers, for which the net charge is exactly 0.5e per interface formula unit, if the polarization response in both materials is referred to zero bulk values. Further consequences of the argument are extracted for structural and chemical alterations of such interfaces, in which internal rearrangements are distinguished from extrinsic alterations (changes of stoichiometry, redox processes), only the latter affecting the interfacial net charge. The arguments are reviewed alongside the proposal of Stengel and Vanderbilt (2009 Phys. Rev. B 80 241103) of using formal polarization values instead of net interfacial charges, based on the interface theorem of Vanderbilt and King-Smith (1993 Phys. Rev. B 48 4442-55). Implications for non-centrosymmetric materials are discussed, as well as for interfaces for which the charge mismatch is an integer number of polarization quanta.

  14. The net charge at interfaces between insulators

    Energy Technology Data Exchange (ETDEWEB)

    Bristowe, N C; Littlewood, P B [Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Artacho, Emilio, E-mail: ncb30@cam.ac.uk [Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ (United Kingdom)

    2011-03-02

    The issue of the net charge at insulating oxide interfaces is briefly reviewed with the ambition of dispelling myths of such charges being affected by covalency and related charge density effects. For electrostatic analysis purposes, the net charge at such interfaces is defined by the counting of discrete electrons and core ion charges, and by the definition of the reference polarization of the separate, unperturbed bulk materials. The arguments are illustrated for the case of a thin film of LaAlO{sub 3} over SrTiO{sub 3} in the absence of free carriers, for which the net charge is exactly 0.5e per interface formula unit, if the polarization response in both materials is referred to zero bulk values. Further consequences of the argument are extracted for structural and chemical alterations of such interfaces, in which internal rearrangements are distinguished from extrinsic alterations (changes of stoichiometry, redox processes), only the latter affecting the interfacial net charge. The arguments are reviewed alongside the proposal of Stengel and Vanderbilt (2009 Phys. Rev. B 80 241103) of using formal polarization values instead of net interfacial charges, based on the interface theorem of Vanderbilt and King-Smith (1993 Phys. Rev. B 48 4442-55). Implications for non-centrosymmetric materials are discussed, as well as for interfaces for which the charge mismatch is an integer number of polarization quanta. (viewpoint)

  15. Electrostatic application of antimicrobial sprays to sanitize food handling and processing surfaces for enhanced food safety

    Energy Technology Data Exchange (ETDEWEB)

    Lyons, Shawn M; Harrison, Mark A [Food Science and Technology Department, University of Georgia, Athens, GA, 30602-2610 (United States); Law, S Edward, E-mail: edlaw@engr.uga.edu [Biological and Agricultural Engineering Department, Applied Electrostatics Laboratory www.ael.engr.uga.edu, University of Georgia, Athens, GA, 30602-4435 (United States)

    2011-06-23

    Human illnesses and deaths caused by foodborne pathogens (e.g., Salmonella enterica, Listeria monocytogenes, Escherichia coli O157:H7, etc.) are of increasing concern globally in maintaining safe food supplies. At various stages of the food production, processing and supply chain antimicrobial agents are required to sanitize contact surfaces. Additionally, during outbreaks of contagious pathogenic microorganisms (e.g., H1N1 influenza), public health requires timely decontamination of extensive surfaces within public schools, mass transit systems, etc. Prior publications verify effectiveness of air-assisted, induction-charged (AAIC) electrostatic spraying of various chemical and biological agents to protect on-farm production of food crops...typically doubling droplet deposition efficiency with concomitant increases in biological control efficacy. Within a biosafety facility this present work evaluated the AAIC electrostatic-spraying process for application of antimicrobial liquids onto various pathogen-inoculated food processing and handling surfaces as a food safety intervention strategy. Fluoroanalysis of AAIC electrostatic sprays (-7.2 mC/kg charge-to-mass ratio) showed significantly greater (p<0.05) mass of tracer active ingredient (A.I.) deposited onto target surfaces at various orientations as compared both to a similar uncharged spray nozzle (0 mC/kg) and to a conventional hydraulic-atomizing nozzle. Per unit mass of A.I. dispensed toward targets, for example, A.I. mass deposited by AAIC electrostatic sprays onto difficult to coat backsides was 6.1-times greater than for similar uncharged sprays and 29.0-times greater than for conventional hydraulic-nozzle sprays. Even at the 56% reduction in peracetic acid sanitizer A.I. dispensed by AAIC electrostatic spray applications, they achieved equal or greater CFU population reductions of Salmonella on most target orientations and materials as compared to uncharged sprays and conventional full-rate hydraulic

  16. Electrostatic application of antimicrobial sprays to sanitize food handling and processing surfaces for enhanced food safety

    Science.gov (United States)

    Lyons, Shawn M.; Harrison, Mark A.; Law, S. Edward

    2011-06-01

    Human illnesses and deaths caused by foodborne pathogens (e.g., Salmonella enterica, Listeria monocytogenes, Escherichia coli O157:H7, etc.) are of increasing concern globally in maintaining safe food supplies. At various stages of the food production, processing and supply chain antimicrobial agents are required to sanitize contact surfaces. Additionally, during outbreaks of contagious pathogenic microorganisms (e.g., H1N1 influenza), public health requires timely decontamination of extensive surfaces within public schools, mass transit systems, etc. Prior publications verify effectiveness of air-assisted, induction-charged (AAIC) electrostatic spraying of various chemical and biological agents to protect on-farm production of food crops...typically doubling droplet deposition efficiency with concomitant increases in biological control efficacy. Within a biosafety facility this present work evaluated the AAIC electrostatic-spraying process for application of antimicrobial liquids onto various pathogen-inoculated food processing and handling surfaces as a food safety intervention strategy. Fluoroanalysis of AAIC electrostatic sprays (-7.2 mC/kg charge-to-mass ratio) showed significantly greater (p<0.05) mass of tracer active ingredient (A.I.) deposited onto target surfaces at various orientations as compared both to a similar uncharged spray nozzle (0 mC/kg) and to a conventional hydraulic-atomizing nozzle. Per unit mass of A.I. dispensed toward targets, for example, A.I. mass deposited by AAIC electrostatic sprays onto difficult to coat backsides was 6.1-times greater than for similar uncharged sprays and 29.0-times greater than for conventional hydraulic-nozzle sprays. Even at the 56% reduction in peracetic acid sanitizer A.I. dispensed by AAIC electrostatic spray applications, they achieved equal or greater CFU population reductions of Salmonella on most target orientations and materials as compared to uncharged sprays and conventional full-rate hydraulic

  17. Modulating the morphology of hydrogel particles by thermal annealing: mixed biopolymer electrostatic complexes

    Science.gov (United States)

    Wu, Bi-cheng; McClements, David Julian

    2015-11-01

    Biopolymer hydrogel particles formed by electrostatic complexation of proteins and polysaccharides have various applications within the food and other industries, including as delivery systems for bioactive compounds, as texture modifiers, and as fat replacers. The functional attributes of these electrostatic complexes are strongly influenced by their morphology, which is determined by the molecular interactions between the biopolymer molecules. In this study, electrostatic complexes were formed using an amphoteric protein (gelatin) and an anionic polysaccharide (pectin). Gelatin undergoes a helix-to-coil transition when heated above a critical temperature, which impacts its molecular interactions and hydrogel formation. The aim of this research was to study the influence of thermal annealing on the properties of hydrogel particles formed by electrostatic complexation of gelatin and pectin. Hydrogel particles were fabricated by mixing 0.5 wt% gelatin and 0.01 wt% pectin at pH 10 (where both were negatively charged) at various temperatures, followed by acidification to pH 5 (where they have opposite charges) with controlled acidification and stirring. The gelation ({{T}\\text{g}} ) and melting temperature ({{T}\\text{m}} ) of the electrostatic complexes were measuring using a small amplitude oscillation test: {{T}\\text{g}}=26.3 °C and {{T}\\text{m}}=32.3 °C. Three annealing temperatures (5, 30 and 50 °C) corresponding to different regimes (T{{T}\\text{m}} ) were selected to control the configuration of the gelatin chain. The effects of formation temperature, annealing temperature, and incubation time on the morphology of the hydrogel particles were characterized by turbidity, static light scattering, and microscopy. The results of this study will facilitate the rational design of hydrogel particles with specific particle dimensions and morphologies, which has important implications for tailoring their functionality for various applications.

  18. Interdomain electron transfer in cellobiose dehydrogenase is governed by surface electrostatics.

    Science.gov (United States)

    Kadek, Alan; Kavan, Daniel; Marcoux, Julien; Stojko, Johann; Felice, Alfons K G; Cianférani, Sarah; Ludwig, Roland; Halada, Petr; Man, Petr

    2017-02-01

    Cellobiose dehydrogenase (CDH) is a fungal extracellular oxidoreductase which fuels lytic polysaccharide monooxygenase with electrons during cellulose degradation. Interdomain electron transfer between the flavin and cytochrome domain in CDH, preceding the electron flow to lytic polysaccharide monooxygenase, is known to be pH dependent, but the exact mechanism of this regulation has not been experimentally proven so far. To investigate the structural aspects underlying the domain interaction in CDH, hydrogen/deuterium exchange (HDX-MS) with improved proteolytic setup (combination of nepenthesin-1 with rhizopuspepsin), native mass spectrometry with ion mobility and electrostatics calculations were used. HDX-MS revealed pH-dependent changes in solvent accessibility and hydrogen bonding at the interdomain interface. Electrostatics calculations identified these differences to result from charge neutralization by protonation and together with ion mobility pointed at higher electrostatic repulsion between CDH domains at neutral pH. In addition, we uncovered extensive O-glycosylation in the linker region and identified the long-unknown exact cleavage point in papain-mediated domain separation. Transition of CDH between its inactive (open) and interdomain electron transfer-capable (closed) state is shown to be governed by changes in the protein surface electrostatics at the domain interface. Our study confirms that the interdomain electrostatic repulsion is the key factor modulating the functioning of CDH. The results presented in this paper provide experimental evidence for the role of charge repulsion in the interdomain electron transfer in cellobiose dehydrogenases, which is relevant for exploiting their biotechnological potential in biosensors and biofuel cells. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Electrostatic Precipitation in Nearly Pure Gaseous Nitrogen

    Science.gov (United States)

    Buhler, Charles; Calle, Carlos; Clements, Sid; Cox, Bobby; Ritz, Mindy

    2008-01-01

    Electrostatic precipitation was performed in a nearly pure gaseous nitrogen system as a possible remedy for black dust contaminant from high pressure 6000 psi lines at the NASA Kennedy Space Center. The results of a prototype electrostatic precipitator that was built and tested using nitrogen gas at standard atmospheric pressures is presented. High voltage pulsed waveforms are generated using a rotating spark gap system at 30 Hz. A unique dust delivery system utilizing the Venturi effect was devised that supplies a given amount of dust per unit time for testing purposes.

  20. Electrostatic collection efficiency in binary fluidized beds

    Energy Technology Data Exchange (ETDEWEB)

    Romero, A.; Guardiola, J.; Rincon, J. (Univ. of Alcala de Henares, Madrid (Spain))

    1992-01-01

    Fluidized beds of binary mixtures have been used to clean air streams containing dust particles in the size range 4.4 to 14 {mu}m. All beds were composed of glass beads and plastic granules mixed at different proportions. The effect on the electrostatic collection efficiency of a number of variables, including type of collecting mixture, bed height, and gas velocity, was examined. To calculate the single collection efficiency from experimental results, an early model proposed by Clift et al. was used. The electrostatic collection efficiency was determined by subtracting the other individual mechanism efficiencies from the single particle collection efficiency.

  1. Martian Atmospheric Pressure Static Charge Elimination Tool

    Science.gov (United States)

    Johansen, Michael R.

    2014-01-01

    A Martian pressure static charge elimination tool is currently in development in the Electrostatics and Surface Physics Laboratory (ESPL) at NASA's Kennedy Space Center. In standard Earth atmosphere conditions, static charge can be neutralized from an insulating surface using air ionizers. These air ionizers generate ions through corona breakdown. The Martian atmosphere is 7 Torr of mostly carbon dioxide, which makes it inherently difficult to use similar methods as those used for standard atmosphere static elimination tools. An initial prototype has been developed to show feasibility of static charge elimination at low pressure, using corona discharge. A needle point and thin wire loop are used as the corona generating electrodes. A photo of the test apparatus is shown below. Positive and negative high voltage pulses are sent to the needle point. This creates positive and negative ions that can be used for static charge neutralization. In a preliminary test, a floating metal plate was charged to approximately 600 volts under Martian atmospheric conditions. The static elimination tool was enabled and the voltage on the metal plate dropped rapidly to -100 volts. This test data is displayed below. Optimization is necessary to improve the electrostatic balance of the static elimination tool.

  2. Charged colloids at low ionic strength: macro- or microphase separation?

    OpenAIRE

    Warren, Patrick B

    2000-01-01

    Phase separation in charged systems may involve the replacement of critical points by microphase separated states, or charge-density-wave states. A density functional theory for highly charged colloids at low ionic strength is developed to examine this possibility. It is found that the lower critical solution point is most susceptible to microphase separation. Moreover the tendency can be quantified, and related to the importance of small ion entropy in suppressing phase separation at low add...

  3. The two sides of complement C3d: evolution of electrostatics in a link between innate and adaptive immunity.

    Directory of Open Access Journals (Sweden)

    Chris A Kieslich

    Full Text Available The interaction between complement fragment C3d and complement receptor 2 (CR2 is a key aspect of complement immune system activation, and is a component in a link between innate and adaptive immunities. The complement immune system is an ancient mechanism for defense, and can be found in species that have been on Earth for the last 600 million years. However, the link between the complement system and adaptive immunity, which is formed through the association of the B-cell co-receptor complex, including the C3d-CR2 interaction, is a much more recent adaptation. Human C3d and CR2 have net charges of -1 and +7 respectively, and are believed to have evolved favoring the role of electrostatics in their functions. To investigate the role of electrostatics in the function and evolution of human C3d and CR2, we have applied electrostatic similarity methods to identify regions of evolutionarily conserved electrostatic potential based on 24 homologues of complement C3d and 4 homologues of CR2. We also examine the effects of structural perturbation, as introduced through molecular dynamics and mutations, on spatial distributions of electrostatic potential to identify perturbation resistant regions, generated by so-called electrostatic "hot-spots". Distributions of electrostatic similarity based on families of perturbed structures illustrate the presence of electrostatic "hot-spots" at the two functional sites of C3d, while the surface of CR2 lacks electrostatic "hot-spots" despite its excessively positive nature. We propose that the electrostatic "hot-spots" of C3d have evolved to optimize its dual-functionality (covalently attaching to pathogen surfaces and interaction with CR2, which are both necessary for the formation B-cell co-receptor complexes. Comparison of the perturbation resistance of the electrostatic character of the homologues of C3d suggests that there was an emergence of a new role of electrostatics, and a transition in the function of C3

  4. The two sides of complement C3d: evolution of electrostatics in a link between innate and adaptive immunity.

    Science.gov (United States)

    Kieslich, Chris A; Morikis, Dimitrios

    2012-01-01

    The interaction between complement fragment C3d and complement receptor 2 (CR2) is a key aspect of complement immune system activation, and is a component in a link between innate and adaptive immunities. The complement immune system is an ancient mechanism for defense, and can be found in species that have been on Earth for the last 600 million years. However, the link between the complement system and adaptive immunity, which is formed through the association of the B-cell co-receptor complex, including the C3d-CR2 interaction, is a much more recent adaptation. Human C3d and CR2 have net charges of -1 and +7 respectively, and are believed to have evolved favoring the role of electrostatics in their functions. To investigate the role of electrostatics in the function and evolution of human C3d and CR2, we have applied electrostatic similarity methods to identify regions of evolutionarily conserved electrostatic potential based on 24 homologues of complement C3d and 4 homologues of CR2. We also examine the effects of structural perturbation, as introduced through molecular dynamics and mutations, on spatial distributions of electrostatic potential to identify perturbation resistant regions, generated by so-called electrostatic "hot-spots". Distributions of electrostatic similarity based on families of perturbed structures illustrate the presence of electrostatic "hot-spots" at the two functional sites of C3d, while the surface of CR2 lacks electrostatic "hot-spots" despite its excessively positive nature. We propose that the electrostatic "hot-spots" of C3d have evolved to optimize its dual-functionality (covalently attaching to pathogen surfaces and interaction with CR2), which are both necessary for the formation B-cell co-receptor complexes. Comparison of the perturbation resistance of the electrostatic character of the homologues of C3d suggests that there was an emergence of a new role of electrostatics, and a transition in the function of C3d, after the

  5. Microgravity Experiments to Evaluate Electrostatic Forces in Controlling Cohesion and Adhesion of Granular Materials

    Science.gov (United States)

    Marshall, J.; Weislogel, M.; Jacobson, T.

    1999-01-01

    The bulk behavior of dispersed, fluidized, or undispersed stationary granular systems cannot be fully understood in terms of adhesive/cohesive properties without understanding the role of electrostatic forces acting at the level of the grains themselves. When grains adhere to a surface, or come in contact with one another in a stationary bulk mass, it is difficult to measure the forces acting on the grains, and the forces themselves that induced the cohesion and adhesion are changed. Even if a single gain were to be scrutinized in the laboratory, it might be difficult, perhaps impossible, to define the distribution and character of surface charging and the three- dimensional relationship that charges (electrons, holes) have to one another. The hypothesis that we propose to test in microgravity (for dielectric materials) is that adhesion and cohesion of granular matter are mediated primarily by dipole forces that do not require the presence of a net charge; in fact, nominally electrically neutral materials should express adhesive and cohesive behavior when the neutrality results from a balance of positive and negative charge carriers. Moreover, the use of net charge alone as a measure of the electrical nature of grain-to-grain relationships within a granular mass may be misleading. We believe that the dipole forces arise from the presence of randomly-distributed positive and negative fixed charge carriers on grains that give rise to a resultant dipole moment. These dipole forces have long-range attraction. Random charges are created whenever there is triboelectrical activity of a granular mass, that is, whenever the grains experience contact/separation sequences or friction. Electrostatic forces are generally under-estimated for their role in causing agglomeration of dispersed grains in particulate clouds, or their role in affecting the internal frictional relationships in packed granular masses. We believe that electrostatic, in particular dipole-mediated processes

  6. Attitude towards materialism in sport and materialism tendencies ...

    African Journals Online (AJOL)

    The study involved a convenient sample of 400 students across the four South African public higher education institutions situated in the Gauteng province. Questionnaires, designed to measure acceptance of materialism in sport and materialism tendencies of black Generation Y students, were hand delivered to lecturers at ...

  7. The Comparison of Emphatic Tendencies of the Management Department Students

    Science.gov (United States)

    Belli, Emre; Yildirim, Fatih; Naktiyok, Serkan; Gurbuz, Ali; Aydin, Ali Dursun

    2015-01-01

    The aim of the current research is to make a comparison between the university students majoring at the department of sport management at Kafkas University and Atatürk University in terms of empathy level. For data collection, "Emphatic Tendency Scale", which was developed by Dökmen (1994) and which included 20 items, was administered to…

  8. Ice-cream consumption, tendency toward overeating, and personality

    NARCIS (Netherlands)

    van Strien, T

    2000-01-01

    OBJECTIVE: The exploration of the mechanisms underlying the tendency toward overeating by investigating the Dutch Eating Behavior Questionnaire (DEBQ)/Revised Eating Disorders Inventory (EDI-R) disinhibition, in sequence to the milkshake-ice cream study (van Strien, Cleven, and Schippers, in press).

  9. Using Experimental Methods to Investigate Discriminatory Tendencies: A Lesson Report

    Science.gov (United States)

    Chen, Yu-Wen; Masch, Lena; Finze, Kristin

    2014-01-01

    Using dictator games in experimental analysis, this lesson report demonstrates the process and results of a postgraduate class project in which university students were instructed to scientifically investigate and explore one of German society's most hotly-contested issues: the level of discriminatory tendencies of non-Muslims towards Muslims. The…

  10. Conditioned craving cues elicit an automatic approach tendency

    NARCIS (Netherlands)

    van Gucht, D.; Vansteenwegen, D.; Van den Bergh, O.; Beckers, T.

    2008-01-01

    In two experiments, we used a Pavlovian differential conditioning procedure to induce craving for chocolate. As a result of repeated pairing with chocolate intake, initially neutral cues came to elicit an automatic approach tendency in a speeded stimulus-response compatibility reaction time task.

  11. Professional Training of the Unemployed: Foreign and Native Tendencies

    Science.gov (United States)

    Voliarska, Olena

    2015-01-01

    The article summarizes foreign and native tendencies in modern adult education. Their impact on the renovation of training the unemployed in Ukraine has been analyzed. It has been established that the system of adult training must meet the socio-economic, political and cultural changes in Ukraine. It has been indicated that defined tendencies…

  12. EARLY LIFE RISKS, ANTISOCIAL TENDENCIES, AND PRETEEN DELINQUENCY*

    Science.gov (United States)

    Staff, Jeremy; Whichard, Corey; Siennick, Sonja; Maggs, Jennifer

    2015-01-01

    Early age-of-onset delinquency and substance use confer a major risk for continued criminality, alcohol and drug abuse, and other serious difficulties throughout the life course. Our objective is to examine the developmental roots of preteen delinquency and substance use. Using nationally representative longitudinal data from the UK Millennium Cohort Study (n = 13,221), we examine the influence of early childhood developmental and family risks on latent pathways of antisocial tendencies from ages 3 to 7, and the influence of those pathways on property crime and substance use by age 11. We identified a normative, non-antisocial pathway; a pathway marked by oppositional behavior and fighting; a pathway marked by impulsivity and inattention; and a rare pathway characterized by a wide range of antisocial tendencies. Children with developmental and family risks that emerged by age 3—specifically difficult infant temperament, low cognitive ability, weak parental closeness, and disadvantaged family background—face increased odds of antisocial tendencies. There is minimal overlap between the risk factors for early antisocial tendencies and those for preteen delinquency. Children on an antisocial pathway are more likely to engage in preteen delinquency and substance use by age 11, even after accounting for early life risk factors. PMID:26900167

  13. Gender Differences in Intended Escalatory Tendencies among Marital Partners

    Science.gov (United States)

    Winstok, Zeev; Straus, Murray A.

    2011-01-01

    This study addresses the intended escalatory tendency in eight hypothetical situations in which the provocator's identity (partner or stranger, male or female) and the provocation form (verbal or physical aggression) were manipulated. The research question is "how does the identity of the provocator and the form of his or her provocation…

  14. Is there a general tendency to become addicted?

    Science.gov (United States)

    Rozin, P; Stoess, C

    1993-01-01

    The tendency to become addicted across a number of different substances or activities was determined for a sample of 573 subjects, including college students and their parents. Four components of addiction were defined: craving, tolerance, withdrawal and lack of control. Subjects rated the extent to which each of these components characterized their relationships to each of ten substance/activities: coffee, tea, cola beverages, favorite alcoholic beverage, chocolate, nonchocolate sweets, hot chili pepper on food, cigarettes, gambling and video games. An "addiction score" was computed for each subject and each substance/activity, by summing the scores on the four components. Correlations in addiction scores for almost all activities were positive, but low (between 0 and .30), with the exception of chocolate and nonchocolate sweets, where the correlation was higher. The results suggest, at best, a weak tendency to become addicted, across a wide range of substances or activities. Other explanations for the low positive correlations are available, besides the notion of a general tendency to become addicted. There were a few significant mother-father correlations in various addiction scores, but none between mid-parent and child values. Three of the four components of addiction (craving, lack of control and withdrawal), were highly correlated. We conclude that there is little basis for the assumption of a general tendency to become addicted, a conclusion which casts doubt on the derivative notion of an addictive personality.

  15. Preliminary validation of the Multi-Attitude Suicide Tendency (MAST ...

    African Journals Online (AJOL)

    Objective:The factor structure of the Multi-Attitude Suicide Tendency (MAST) scale was examined using a sample of non-white South African adolescents. Method: The MAST scale was administered to 205 secondary school students between 13 and 20 years of age. Results: The scale demonstrated satisfactory internal ...

  16. Preschool children's behavioral tendency toward social indirect reciprocity.

    Directory of Open Access Journals (Sweden)

    Mayuko Kato-Shimizu

    Full Text Available Social indirect reciprocity seems to be crucial in enabling large-scale cooperative networks among genetically unrelated individuals in humans. However, there are relatively few studies on social indirect reciprocity in children compared to adults. Investigating whether young children have a behavioral tendency toward social indirect reciprocity will help us understand how and when the fundamental ability to form cooperative relationships among adults is acquired. Using naturalistic observation at a nursery school, this study examined whether 5- to 6-year-olds show a behavioral tendency to engage in social indirect reciprocity in response to their peers' prosocial behavior toward a third party. The results revealed that bystander children tended to display prosocial behavior toward their peers more frequently after observing these peers' prosocial behavior toward third-party peers, compared with control situations; this suggests that 5- to 6-year-olds may have an essential behavioral tendency to establish social indirect reciprocity when interacting with peers in their daily lives. In addition, bystanders tended to display affiliative behavior after observing focal children's prosocial behavior. In other words, observing peers' prosocial behavior toward third-party peers evoked bystanders' positive emotions toward the helpers. Considering both the present results and previous findings, we speculate that in preschoolers, such positive emotions might mediate the increase in the bystander's prosocial behavior toward the helper. In addition, an intuitional emotional process plays an important role in the preschooler's behavioral tendency toward social indirect reciprocity in natural interactions with peers.

  17. Problematized Humanism: Sadi’s Racist Tendency in Gulistan

    National Research Council Canada - National Science Library

    Ahmad Gholi; Masoud Ahmadi Musaabad

    2015-01-01

    .... Some poets are blatantly racist but in some racism appears just in the form of a furtive tendency, thus it needs to be uncovered with zeal of an archeologist, and Sadi belongs to the second category; therefore, this article seeks to lay bare his racist leaning by focusing on one of his tales in his Gulistan (Rose Garden), thereby challenging his humanism.

  18. Systematic Approach to Electrostatically Induced 2D Crystallization of Nanoparticles at Liquid Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Fukuto, M.; Kewalramani, S.; Wang, S.; Lin, Y.; Nguyen, G.; Wang, Q.; Yang, L.

    2011-02-07

    We report an experimental demonstration of a strategy for inducing two-dimensional (2D) crystallization of charged nanoparticles on oppositely charged fluid interfaces. This strategy aims to maximize the interfacial adsorption of nanoparticles, and hence their lateral packing density, by utilizing a combination of weakly charged particles and a high surface charge density on the planar interface. In order to test this approach, we investigated the assembly of cowpea mosaic virus (CPMV) on positively charged lipid monolayers at the aqueous solution surface, by means of in situ X-ray scattering measurements at the liquid-vapor interface. The assembly was studied as a function of the solution pH, which was used to vary the charge on CPMV, and of the mole fraction of the cationic lipid in the binary lipid monolayer, which set the interface charge density. The 2D crystallization of CPMV occurred in a narrow pH range just above the particle's isoelectric point, where the particle charge was weakly negative, and only when the cationic-lipid fraction in the monolayer exceeded a threshold. The observed 2D crystals exhibited nearly the same packing density as the densest lattice plane within the known 3D crystals of CPMV. The above electrostatic approach of maximizing interfacial adsorption may provide an efficient route to the crystallization of nanoparticles at aqueous interfaces.

  19. Modelling of Complex Physical Processes in Electrostatic Precipitators

    Energy Technology Data Exchange (ETDEWEB)

    Kiss, Istvan; Ivancsy, Tamas; Berta, Istvan [Department of Electric Power Engineering, Egry J. u. 18, Budapest H-llll (Hungary); Suda, Jeno, E-mail: kiss.istvan@vet.bme.hu [Department of Fluid Mechanics, Bertalan Lajos 4-6., Budapest H-llll (Hungary)

    2011-06-23

    Electrostatic precipitator (ESP) models have improved significantly in the past years. The dramatic development of the capacity of computers made it possible to increase the complexity of ESP models. Recently the different interactions between the gas, the electric field with ion space charge and the charged particles to be precipitated can be described more accurately by the newly developed complex approach. However even some of the newest computer models are limited; they are not able to follow the interactions of the complicated physical phenomena properly. For example pulse energisation of short time impulses cannot be described correctly with models assuming continuous corona current. There is another important problem, namely the examined duration of operation. Some of the models determine the trajectories of dust particles assuming that they are unchanged during the operation of an ESP. The validity of this assumption is very limited in such cases, where the development of certain phenomena is time dependent (e.g. back corona formation). In this paper the authors focus on the 'long term' models, analysing such situations in which it is vital to investigate a longer period of operation of ESP-s. Using the newly developed model the effect of back corona, rapping, etc. can be analysed with higher reliability than it has been performed in previous ESP models.

  20. Hierarchical cellulose-derived carbon nanocomposites for electrostatic energy storage

    Science.gov (United States)

    Kuzmenko, V.; Saleem, A. M.; Bhaskar, A.; Staaf, H.; Desmaris, V.; Enoksson, P.

    2015-12-01

    The problem of energy storage and its continuous delivery on demand needs new effective solutions. Supercapacitors are viewed as essential devices for solving this problem since they can quickly provide high power basically countless number of times. The performance of supercapacitors is mostly dependent on the properties of electrode materials used for electrostatic charge accumulation, i.e. energy storage. This study presents new sustainable cellulose-derived materials that can be used as electrodes for supercapacitors. Nanofibrous carbon nanofiber (CNF) mats were covered with vapor-grown carbon nanotubes (CNTs) in order to get composite CNF/CNT electrode material. The resulting composite material had significantly higher surface area and was much more conductive than pure CNF material. The performance of the CNF/CNT electrodes was evaluated by various analysis methods such as cyclic voltammetry, galvanostatic charge-discharge, electrochemical impedance spectroscopy and cyclic stability. The results showed that the cellulose-derived composite electrodes have fairly high values of specific capacitance and power density and can retain excellent performance over at least 2 000 cycles. Therefore it can be stated that sustainable cellulose-derived CNF/CNT composites are prospective materials for supercapacitor electrodes.