Protein electrostatics: a review of the equations and methods used to model electrostatic equations in biomolecules--applications in biotechnology.

PubMed

Neves-Petersen, Maria Teresa; Petersen, Steffen B

2003-01-01

The molecular understanding of the initial interaction between a protein and, e.g., its substrate, a surface or an inhibitor is essentially an understanding of the role of electrostatics in intermolecular interactions. When studying biomolecules it is becoming increasingly evident that electrostatic interactions play a role in folding, conformational stability, enzyme activity and binding energies as well as in protein-protein interactions. In this chapter we present the key basic equations of electrostatics necessary to derive the equations used to model electrostatic interactions in biomolecules. We will also address how to solve such equations. This chapter is divided into two major sections. In the first part we will review the basic Maxwell equations of electrostatics equations called the Laws of Electrostatics that combined will result in the Poisson equation. This equation is the starting point of the Poisson-Boltzmann (PB) equation used to model electrostatic interactions in biomolecules. Concepts as electric field lines, equipotential surfaces, electrostatic energy and when can electrostatics be applied to study interactions between charges will be addressed. In the second part we will arrive at the electrostatic equations for dielectric media such as a protein. We will address the theory of dielectrics and arrive at the Poisson equation for dielectric media and at the PB equation, the main equation used to model electrostatic interactions in biomolecules (e.g., proteins, DNA). It will be shown how to compute forces and potentials in a dielectric medium. In order to solve the PB equation we will present the continuum electrostatic models, namely the Tanford-Kirkwood and the modified Tandord-Kirkwood methods. Priority will be given to finding the protonation state of proteins prior to solving the PB equation. We also present some methods that can be used to map and study the electrostatic potential distribution on the molecular surface of proteins. The

Electrostatic rate enhancement and transient complex of protein-protein association.

PubMed

Alsallaq, Ramzi; Zhou, Huan-Xiang

2008-04-01

The association of two proteins is bounded by the rate at which they, via diffusion, find each other while in appropriate relative orientations. Orientational constraints restrict this rate to approximately 10(5)-10(6) M(-1) s(-1). Proteins with higher association rates generally have complementary electrostatic surfaces; proteins with lower association rates generally are slowed down by conformational changes upon complex formation. Previous studies (Zhou, Biophys J 1997;73:2441-2445) have shown that electrostatic enhancement of the diffusion-limited association rate can be accurately modeled by $k_{\\bf D}$ = $k_{D}0\\ {exp} ( - \\langle U_{el} \\rangle;{\\star}/k_{B} T),$ where k(D) and k(D0) are the rates in the presence and absence of electrostatic interactions, respectively, U(el) is the average electrostatic interaction energy in a "transient-complex" ensemble, and k(B)T is the thermal energy. The transient-complex ensemble separates the bound state from the unbound state. Predictions of the transient-complex theory on four protein complexes were found to agree well with the experiment when the electrostatic interaction energy was calculated with the linearized Poisson-Boltzmann (PB) equation (Alsallaq and Zhou, Structure 2007;15:215-224). Here we show that the agreement is further improved when the nonlinear PB equation is used. These predictions are obtained with the dielectric boundary defined as the protein van der Waals surface. When the dielectric boundary is instead specified as the molecular surface, electrostatic interactions in the transient complex become repulsive and are thus predicted to retard association. Together these results demonstrate that the transient-complex theory is predictive of electrostatic rate enhancement and can help parameterize PB calculations. (c) 2007 Wiley-Liss, Inc.

Electrostatic Rate Enhancement and Transient Complex of Protein-Protein Association

PubMed Central

Alsallaq, Ramzi; Zhou, Huan-Xiang

2012-01-01

The association of two proteins is bounded by the rate at which they, via diffusion, find each other while in appropriate relative orientations. Orientational constraints restrict this rate to ~105 – 106 M−1s−1. Proteins with higher association rates generally have complementary electrostatic surfaces; proteins with lower association rates generally are slowed down by conformational changes upon complex formation. Previous studies (Zhou, Biophys. J. 1997;73:2441–2445) have shown that electrostatic enhancement of the diffusion-limited association rate can be accurately modeled by kD = kD0 exp(−*/ kBT), where kD and kD0 are the rates in the presence and absence of electrostatic interactions, respectively, * is the average electrostatic interaction energy in a “transient-complex” ensemble, and kBT is thermal energy. The transient-complex ensemble separates the bound state from the unbound state. Predictions of the transient-complex theory on four protein complexes were found to agree well with experiment when the electrostatic interaction energy was calculated with the linearized Poisson-Boltzmann (PB) equation (Alsallaq and Zhou, Structure 2007, 15:215–224). Here we show that the agreement is further improved when the nonlinear PB equation is used. These predictions are obtained with the dielectric boundary defined as the protein van der Waals surface. When the dielectric boundary is instead specified as the molecular surface, electrostatic interactions in the transient complex become repulsive and are thus predicted to retard association. Together these results demonstrate that the transient-complex theory is predictive of electrostatic rate enhancement and can help parameterize PB calculations. PMID:17932929

A small-gap electrostatic micro-actuator for large deflections

PubMed Central

Conrad, Holger; Schenk, Harald; Kaiser, Bert; Langa, Sergiu; Gaudet, Matthieu; Schimmanz, Klaus; Stolz, Michael; Lenz, Miriam

2015-01-01

Common quasi-static electrostatic micro actuators have significant limitations in deflection due to electrode separation and unstable drive regions. State-of-the-art electrostatic actuators achieve maximum deflections of approximately one third of the electrode separation. Large electrode separation and high driving voltages are normally required to achieve large actuator movements. Here we report on an electrostatic actuator class, fabricated in a CMOS-compatible process, which allows high deflections with small electrode separation. The concept presented makes the huge electrostatic forces within nanometre small electrode separation accessible for large deflections. Electrostatic actuations that are larger than the electrode separation were measured. An analytical theory is compared with measurement and simulation results and enables closer understanding of these actuators. The scaling behaviour discussed indicates significant future improvement on actuator deflection. The presented driving concept enables the investigation and development of novel micro systems with a high potential for improved device and system performance. PMID:26655557

Electrostatics of lipid bilayer bending.

PubMed Central

Chou, T; Jarić, M V; Siggia, E D

1997-01-01

The electrostatic contribution to spontaneous membrane curvature is calculated within Poisson-Boltzmann theory under a variety of assumptions and emphasizing parameters in the physiological range. Asymmetrical surface charges can be fixed with respect to bilayer midplane area or with respect to the lipid-water area, but induce curvatures of opposite signs. Unequal screening layers on the two sides of a vesicle (e.g., multivalent cationic proteins on one side and monovalent salt on the other) also induce bending. For reasonable parameters, tubules formed by electrostatically induced bending can have radii in the 50-100-nm range, often seen in many intracellular organelles. Thus membrane associated proteins may induce curvature and subsequent budding, without themselves being intrinsically curved. Furthermore, we derive the previously unexplored effects of respecting the strict conservation of charge within the interior of a vesicle. The electrostatic component of the bending modulus is small under most of our conditions and is left as an experimental parameter. The large parameter space of conditions is surveyed in an array of graphs. Images FIGURE 1 FIGURE 10 PMID:9129807

Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models.

PubMed

Zimmermann, Nils E R; Hannah, Daniel C; Rong, Ziqin; Liu, Miao; Ceder, Gerbrand; Haranczyk, Maciej; Persson, Kristin A

2018-02-01

We report on a scheme for estimating intercalant jump-diffusion barriers that are typically obtained from demanding density functional theory-nudged elastic band calculations. The key idea is to relax a chain of states in the field of the electrostatic potential that is averaged over a spherical volume using different finite-size ion models. For magnesium migrating in typical intercalation materials such as transition-metal oxides, we find that the optimal model is a relatively large shell. This data-driven result parallels typical assumptions made in models based on Onsager's reaction field theory to quantitatively estimate electrostatic solvent effects. Because of its efficiency, our potential of electrostatics-finite ion size (PfEFIS) barrier estimation scheme will enable rapid identification of materials with good ionic mobility.

The electrostatic persistence length of polymers beyond the OSF limit.

PubMed

Everaers, R; Milchev, A; Yamakov, V

2002-05-01

We use large-scale Monte Carlo simulations to test scaling theories for the electrostatic persistence length l(e) of isolated, uniformly charged polymers with Debye-Hückel intrachain interactions in the limit where the screening length kappa(-1) exceeds the intrinsic persistence length of the chains. Our simulations cover a significantly larger part of the parameter space than previous studies. We observe no significant deviations from the prediction l(e) proportional to kappa(-2) by Khokhlov and Khachaturian which is based on applying the Odijk-Skolnick-Fixman theories of electrostatic bending rigidity and electrostatically excluded volume to the stretched de Gennes-Pincus-Velasco-Brochard polyelectrolyte blob chain. A linear or sublinear dependence of the persistence length on the screening length can be ruled out. We show that previous results pointing into this direction are due to a combination of excluded-volume and finite chain length effects. The paper emphasizes the role of scaling arguments in the development of useful representations for experimental and simulation data.

Ferroelectric hydration shells around proteins: electrostatics of the protein-water interface.

PubMed

LeBard, David N; Matyushov, Dmitry V

2010-07-22

Numerical simulations of hydrated proteins show that protein hydration shells are polarized into a ferroelectric layer with large values of the average dipole moment magnitude and the dipole moment variance. The emergence of the new polarized mesophase dramatically alters the statistics of electrostatic fluctuations at the protein-water interface. The linear response relation between the average electrostatic potential and its variance breaks down, with the breadth of the electrostatic fluctuations far exceeding the expectations of the linear response theories. The dynamics of these non-Gaussian electrostatic fluctuations are dominated by a slow (approximately = 1 ns) component that freezes in at the temperature of the dynamical transition of proteins. The ferroelectric shell propagates 3-5 water diameters into the bulk.

OPERATION AND MAINTENANCE MANUAL FOR ELECTROSTATIC PRECIPITATORS

EPA Science Inventory

The manual focuses on the operation and maintenance (O/M) of typical electrostatic precipitators (ESPs). It summarizes available information on theory and design in sufficient detail to provide a basic background O/M portions of the manual. Although O/M-related air pollution prob...

A view on thermodynamics of concentrated electrolytes: Modification necessity for electrostatic contribution of osmotic coefficient

NASA Astrophysics Data System (ADS)

Sahu, Jyoti; Juvekar, Vinay A.

2018-05-01

Prediction of the osmotic coefficient of concentrated electrolytes is needed in a wide variety of industrial applications. There is a need to correctly segregate the electrostatic contribution to osmotic coefficient from nonelectrostatic contribution. This is achieved in a rational way in this work. Using the Robinson-Stokes-Glueckauf hydrated ion model to predict non-electrostatic contribution to the osmotic coefficient, it is shown that hydration number should be independent of concentration so that the observed linear dependence of osmotic coefficient on electrolyte concentration in high concentration range could be predicted. The hydration number of several electrolytes (LiCl, NaCl, KCl, MgCl2, and MgSO4) has been estimated by this method. The hydration number predicted by this model shows correct dependence on temperature. It is also shown that the electrostatic contribution to osmotic coefficient is underpredicted by the Debye-Hückel theory at concentration beyond 0.1 m. The Debye-Hückel theory is modified by introducing a concentration dependent hydrated ionic size. Using the present analysis, it is possible to correctly estimate the electrostatic contribution to the osmotic coefficient, beyond the range of validation of the D-H theory. This would allow development of a more fundamental model for electrostatic interaction at high electrolyte concentrations.

Crystal Field in Rare-Earth Complexes: From Electrostatics to Bonding.

PubMed

Alessandri, Riccardo; Zulfikri, Habiburrahman; Autschbach, Jochen; Bolvin, Hélène

2018-04-11

The flexibility of first-principles (ab initio) calculations with the SO-CASSCF (complete active space self-consistent field theory with a treatment of the spin-orbit (SO) coupling by state interaction) method is used to quantify the electrostatic and covalent contributions to crystal field parameters. Two types of systems are chosen for illustration: 1) The ionic and experimentally well-characterized PrCl 3 crystal; this study permits a revisitation of the partition of contributions proposed in the early days of crystal field theory; and 2) a series of sandwich molecules [Ln(η n -C n H n ) 2 ] q , with Ln=Dy, Ho, Er, and Tm and n=5, 6, and 8, in which the interaction between Ln III and the aromatic ligands is more difficult to describe within an electrostatic approach. It is shown that a model with three layers of charges reproduces the electrostatic field generated by the ligands and that the covalency plays a qualitative role. The one-electron character of crystal field theory is discussed and shown to be valuable, although it is not completely quantitative. This permits a reduction of the many-electron problem to a discussion of the energy of the seven 4f orbitals. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion

NASA Astrophysics Data System (ADS)

Buyukdagli, Sahin; Achim, C. V.; Ala-Nissila, T.

2012-09-01

Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)], 10.1140/epje/i2002-10159-0. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρb ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρb ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting

Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion.

PubMed

Buyukdagli, Sahin; Achim, C V; Ala-Nissila, T

2012-09-14

Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)]. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρ(b) ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρ(b) ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting them towards the surface

Communication: Nanoscale electrostatic theory of epistructural fields at the protein-water interface

NASA Astrophysics Data System (ADS)

Fernández, Ariel

2012-12-01

Nanoscale solvent confinement at the protein-water interface promotes dipole orientations that are not aligned with the internal electrostatic field of a protein, yielding what we term epistructural polarization. To quantify this effect, an equation is derived from first principles relating epistructural polarization with the magnitude of local distortions in water coordination causative of interfacial tension. The equation defines a nanoscale electrostatic model of water and enables an estimation of protein denaturation free energies and the inference of hot spots for protein associations. The theoretical results are validated vis-à-vis calorimetric data, revealing the destabilizing effect of epistructural polarization and its molecular origin.

Communication: Nanoscale electrostatic theory of epistructural fields at the protein-water interface.

PubMed

Fernández, Ariel

2012-12-21

Nanoscale solvent confinement at the protein-water interface promotes dipole orientations that are not aligned with the internal electrostatic field of a protein, yielding what we term epistructural polarization. To quantify this effect, an equation is derived from first principles relating epistructural polarization with the magnitude of local distortions in water coordination causative of interfacial tension. The equation defines a nanoscale electrostatic model of water and enables an estimation of protein denaturation free energies and the inference of hot spots for protein associations. The theoretical results are validated vis-à-vis calorimetric data, revealing the destabilizing effect of epistructural polarization and its molecular origin.

Compact electrostatic comb actuator

DOEpatents

Rodgers, M. Steven; Burg, Michael S.; Jensen, Brian D.; Miller, Samuel L.; Barnes, Stephen M.

2000-01-01

A compact electrostatic comb actuator is disclosed for microelectromechanical (MEM) applications. The actuator is based upon a plurality of meshed electrostatic combs, some of which are stationary and others of which are moveable. One or more restoring springs are fabricated within an outline of the electrostatic combs (i.e. superposed with the moveable electrostatic combs) to considerably reduce the space required for the actuator. Additionally, a truss structure is provided to support the moveable electrostatic combs and prevent bending or distortion of these combs due to unbalanced electrostatic forces or external loading. The truss structure formed about the moveable electrostatic combs allows the spacing between the interdigitated fingers of the combs to be reduced to about one micron or less, thereby substantially increasing the number of active fingers which can be provided in a given area. Finally, electrostatic shields can be used in the actuator to substantially reduce unwanted electrostatic fields to further improve performance of the device. As a result, the compact electrostatic comb actuator of the present invention occupies only a fraction of the space required for conventional electrostatic comb actuators, while providing a substantial increase in the available drive force (up to one-hundred times).

First-principles simulations of electrostatic interactions between dust grains

NASA Astrophysics Data System (ADS)

Itou, H.; Amano, T.; Hoshino, M.

2014-12-01

We investigated the electrostatic interaction between two identical dust grains of an infinite mass immersed in homogeneous plasma by employing first-principles N-body simulations combined with the Ewald method. We specifically tested the possibility of an attractive force due to overlapping Debye spheres (ODSs), as was suggested by Resendes et al. [Phys. Lett. A 239, 181-186 (1998)]. Our simulation results demonstrate that the electrostatic interaction is repulsive and even stronger than the standard Yukawa potential. We showed that the measured electric field acting on the grain is highly consistent with a model electrostatic potential around a single isolated grain that takes into account a correction due to the orbital motion limited theory. Our result is qualitatively consistent with the counterargument suggested by Markes and Williams [Phys. Lett. A 278, 152-158 (2000)], indicating the absence of the ODS attractive force.

Nonlocal continuum electrostatic theory predicts surprisingly small energetic penalties for charge burial in proteins.

PubMed

Bardhan, Jaydeep P

2011-09-14

We study the energetics of burying charges, ion pairs, and ionizable groups in a simple protein model using nonlocal continuum electrostatics. Our primary finding is that the nonlocal response leads to markedly reduced solvent screening, comparable to the use of application-specific protein dielectric constants. Employing the same parameters as used in other nonlocal studies, we find that for a sphere of radius 13.4 Å containing a single +1e charge, the nonlocal solvation free energy varies less than 18 kcal/mol as the charge moves from the surface to the center, whereas the difference in the local Poisson model is ∼35 kcal/mol. Because an ion pair (salt bridge) generates a comparatively more rapidly varying Coulomb potential, energetics for salt bridges are even more significantly reduced in the nonlocal model. By varying the central parameter in nonlocal theory, which is an effective length scale associated with correlations between solvent molecules, nonlocal-model energetics can be varied from the standard local results to essentially zero; however, the existence of the reduction in charge-burial penalties is quite robust to variations in the protein dielectric constant and the correlation length. Finally, as a simple exploratory test of the implications of nonlocal response, we calculate glutamate pK(a) shifts and find that using standard protein parameters (ε(protein) = 2-4), nonlocal results match local-model predictions with much higher dielectric constants. Nonlocality may, therefore, be one factor in resolving discrepancies between measured protein dielectric constants and the model parameters often used to match titration experiments. Nonlocal models may hold significant promise to deepen our understanding of macromolecular electrostatics without substantially increasing computational complexity. © 2011 American Institute of Physics

Kinetic Theory of quasi-electrostatic waves in non-gyrotropic plasmas

NASA Astrophysics Data System (ADS)

Arshad, K.; Poedts, S.; Lazar, M.

2017-12-01

The orbital angular momentum (OAM) is a trait of helically phased light or helical (twisted) electric field. Lasers carrying orbital angular momentum (OAM) revolutionized many scientific and technological paradigms like microscopy, imaging and ionospheric radar facility to analyze three dimensional plasma dynamics in ionosphere, ultra-intense twisted laser pulses, twisted gravitational waves and astrophysics. This trend has also been investigated in plasma physics. Laguerre-Gaussian type solutions are predicted for magnetic tornadoes and Alfvénic tornadoes which exhibit spiral, split and ring-like morphologies. The ring shape morphology is ideal to fit the observed solar corona, solar atmosphere and Earth's ionosphere. The orbital angular momentum indicates the mediation of electrostatic and electromagnetic waves in new phenomena like Raman and Brillouin scattering. A few years ago, some new effects have been included in studies of orbital angular momentum in plasma regimes such as wave-particle interaction in the presence of helical electric field. Therefore, kinetic studies are carried out to investigate the Landau damping of the waves and growth of the instabilities in the presence helical electric field carrying orbital angular momentum for the Maxwellian distributed plasmas. Recently, a well suited approach involving a kappa distribution function has been adopted to model the twisted space plasmas. This leads to the development of new theoretical grounds for the study of Lorentzian or kappa distributed twisted Langmuir, ion acoustic, dust ion acoustic and dust acoustic modes. The quasi-electrostatic twisted waves have been studied now for the non-gyrotropic dusty plasmas in the presence of the orbital angular momentum of the helical electric field using Generalized Lorentzian or kappa distribution function. The Laguerre-Gaussian (LG) mode function is employed to decompose the perturbed distribution function and electric field into planar (longitudinal) and

A theoretical and experimental investigation of cylindrical electrostatic probes at arbitrary incidence in flowing plasma

NASA Technical Reports Server (NTRS)

Jenkins, R. V.; Jones, W. L., Jr.

1974-01-01

The theory for calculating the current collected by a negatively biased cylindrical electrostatic probe at an arbitrary angle of attack in a weakley ionized flowing plasma is presented. The theory was constructed by considering both random and directed motion simultaneous with dynamic coupling of the flow properties and of the electric field of the probe. This direct approach yielded a theory that is more general than static plasma theories modified to account for flow. Theoretical calculations are compared with experimental electrostatic probe data obtained in the free stream of an arc-heated hypersonic wind tunnel. The theoretical calculations are based on flow conditions and plasma electron densities measured by an independent microwave interferometer technique. In addition, the theory is compared with laboratory and satellite data previously published by other investigators. In each case the comparison gives good agreement.

Polarizable polymer chain under external electric field: Effects of many-body electrostatic dipole correlations.

PubMed

Budkov, Yu A; Kolesnikov, A L

2016-11-01

We present a new simple self-consistent field theory of a polarizable flexible polymer chain under an external constant electric field with account for the many-body electrostatic dipole correlations. We show the effects of electrostatic dipole correlations on the electric-field-induced globule-coil transition. We demonstrate that only when the polymer chain is in the coil conformation, the electrostatic dipole correlations of monomers can be considered as pairwise. However, when the polymer chain is in a collapsed state, the dipole correlations have to be considered at the many-body level.

Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides

DOE PAGES

Ting, Christina L.; Frischknecht, Amalie L.; Stevens, Mark J.; ...

2014-06-19

Electrostatics plays an important role in the self-assembly of amphiphilic peptides. To develop a molecular understanding of the role of the electrostatic interactions, we develop a coarse-grained model peptide and apply self-consistent field theory to investigate the peptide assembly into a variety of aggregate nanostructures. We find that the presence and distribution of charged groups on the hydrophilic branches of the peptide can modify the molecular configuration from extended to collapsed. This change in molecular configuration influences the packing into spherical micelles, cylindrical micelles (nanofibers), or planar bilayers. The effects of charge distribution therefore has important implications for the designmore » and utility of functional materials based on peptides.« less

Electrostatic Precipitator

NASA Image and Video Library

2017-06-09

New Electrostatic Precipitator in a flow-through system. The precipitator system is being developed to remove dust from the atmospheric intakes of the MARS ISRU chambers. It uses electrostatic forces for the dust removal.

The dependency of adhesion and friction on electrostatic attraction

NASA Astrophysics Data System (ADS)

Persson, B. N. J.

2018-04-01

I develop a general mean-field theory for the influence of electrostatic attraction between two solids on the contact mechanics. I assume elastic solids with random surface roughness. I consider two cases, namely, with and without an electrically insulating layer between the conducting solids. The former case is important for, e.g., the finger-touch screen interaction. I study how the electrostatic attraction influences the adhesion and friction. For the case of an insulating layer, I find that when the applied nominal contact pressure is relatively small, as the applied voltage increases, there is a sharp increase in the contact area, and hence in the friction, at a critical voltage.

Contemporary NMR Studies of Protein Electrostatics.

PubMed

Hass, Mathias A S; Mulder, Frans A A

2015-01-01

Electrostatics play an important role in many aspects of protein chemistry. However, the accurate determination of side chain proton affinity in proteins by experiment and theory remains challenging. In recent years the field of nuclear magnetic resonance spectroscopy has advanced the way that protonation states are measured, allowing researchers to examine electrostatic interactions at an unprecedented level of detail and accuracy. Experiments are now in place that follow pH-dependent (13)C and (15)N chemical shifts as spatially close as possible to the sites of protonation, allowing all titratable amino acid side chains to be probed sequence specifically. The strong and telling response of carefully selected reporter nuclei allows individual titration events to be monitored. At the same time, improved frameworks allow researchers to model multiple coupled protonation equilibria and to identify the underlying pH-dependent contributions to the chemical shifts.

A novel electrostatic precipitator

NASA Astrophysics Data System (ADS)

Tang, Minkang; Wang, Liqian; Lin, Zhigui

2013-03-01

ESP (Electrostatic Precipitation) has been widely used in the mining, building materials, metallurgy and power industries. Dust particles or other harmful particles from the airstream can be precipitated by ESP with great collecting efficiency. Because of its' large size, high cost and energy consumption, the scope of application of ESP has been limited to a certain extent. By means of the theory of electrostatics and fluid dynamics, a corona assembly with a self-cleaning function and a threshold voltage automatic tracking technology has been developed and used in ESP. It is indicated that compared with conventional ESP, the electric field length has been reduced to 1/10 of the original, the current density on the collecting electrode increased 3-5 times at the maximum, the approach speed of dust particles in the electric field towards the collecting electrode is 4 times that in conventional ESP and the electric field wind speed may be enhanced by 2-3 times the original. Under the premise of ESP having a high efficiency of dust removal, equipment volume may be actually reduced to 1/5 to 1/10 of the original volume and energy consumption may be reduced by more than 50%.

Deppdb--DNA electrostatic potential properties database: electrostatic properties of genome DNA.

PubMed

Osypov, Alexander A; Krutinin, Gleb G; Kamzolova, Svetlana G

2010-06-01

The electrostatic properties of genome DNA influence its interactions with different proteins, in particular, the regulation of transcription by RNA-polymerases. DEPPDB--DNA Electrostatic Potential Properties Database--was developed to hold and provide all available information on the electrostatic properties of genome DNA combined with its sequence and annotation of biological and structural properties of genome elements and whole genomes. Genomes in DEPPDB are organized on a taxonomical basis. Currently, the database contains all the completely sequenced bacterial and viral genomes according to NCBI RefSeq. General properties of the genome DNA electrostatic potential profile and principles of its formation are revealed. This potential correlates with the GC content but does not correspond to it exactly and strongly depends on both the sequence arrangement and its context (flanking regions). Analysis of the promoter regions for bacterial and viral RNA polymerases revealed a correspondence between the scale of these proteins' physical properties and electrostatic profile patterns. We also discovered a direct correlation between the potential value and the binding frequency of RNA polymerase to DNA, supporting the idea of the role of electrostatics in these interactions. This matches a pronounced tendency of the promoter regions to possess higher values of the electrostatic potential.

Analysis of the instability underlying electrostatic suppression of the Leidenfrost state

NASA Astrophysics Data System (ADS)

Shahriari, Arjang; Das, Soumik; Bahadur, Vaibhav; Bonnecaze, Roger T.

2017-03-01

A liquid droplet on a hot solid can generate enough vapor to prevent its contact on the surface and reduce the rate of heat transfer, the so-called Leidenfrost effect. We show theoretically and experimentally that for a sufficiently high electrostatic potential on the droplet, the formation of the vapor layer is suppressed. The interplay of the destabilizing electrostatic force and stabilizing capillary force and evaporation determines the minimum or threshold voltage to suppress the Leidenfrost effect. Linear stability theory accurately predicts threshold voltages for different size droplets and varying temperatures.

Beyond the continuum: how molecular solvent structure affects electrostatics and hydrodynamics at solid-electrolyte interfaces.

PubMed

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.

Electrostatics of DNA-Functionalized Nanoparticles

NASA Astrophysics Data System (ADS)

Hoffmann, Kyle; Krishnamoorthy, Kurinji; Kewalramani, Sumit; Bedzyk, Michael; Olvera de La Cruz, Monica

DNA-functionalized nanoparticles have applications in directed self-assembly and targeted cellular delivery of therapeutic proteins. In order to design specific systems, it is necessary to understand their self-assembly properties, of which the long-range electrostatic interactions are a critical component. We iteratively solved equations derived from classical density functional theory in order to predict the distribution of ions around DNA-functionalized Cg Catalase. We then compared estimates of the resonant intensity to those from SAXS measurements to estimate key features of DNA-functionalized proteins, such as the size of the region linking the protein and DNA and the extension of the single-stranded DNA. Using classical density functional theory and coarse-grained simulations, we are able to predict and understand these fundamental properties in order to rationally design new biomaterials.

DEPPDB - DNA electrostatic potential properties database. Electrostatic properties of genome DNA elements.

PubMed

Osypov, Alexander A; Krutinin, Gleb G; Krutinina, Eugenia A; Kamzolova, Svetlana G

2012-04-01

Electrostatic properties of genome DNA are important to its interactions with different proteins, in particular, related to transcription. DEPPDB - DNA Electrostatic Potential (and other Physical) Properties Database - provides information on the electrostatic and other physical properties of genome DNA combined with its sequence and annotation of biological and structural properties of genomes and their elements. Genomes are organized on taxonomical basis, supporting comparative and evolutionary studies. Currently, DEPPDB contains all completely sequenced bacterial, viral, mitochondrial, and plastids genomes according to the NCBI RefSeq, and some model eukaryotic genomes. Data for promoters, regulation sites, binding proteins, etc., are incorporated from established DBs and literature. The database is complemented by analytical tools. User sequences calculations are available. Case studies discovered electrostatics complementing DNA bending in E.coli plasmid BNT2 promoter functioning, possibly affecting host-environment metabolic switch. Transcription factors binding sites gravitate to high potential regions, confirming the electrostatics universal importance in protein-DNA interactions beyond the classical promoter-RNA polymerase recognition and regulation. Other genome elements, such as terminators, also show electrostatic peculiarities. Most intriguing are gene starts, exhibiting taxonomic correlations. The necessity of the genome electrostatic properties studies is discussed.

Diminish electrostatic in piezoresponse force microscopy through longer or ultra-stiff tips

NASA Astrophysics Data System (ADS)

Gomez, A.; Puig, T.; Obradors, X.

2018-05-01

Piezoresponse Force Microscopy is a powerful but delicate nanoscale technique that measures the electromechanical response resulting from the application of a highly localized electric field. Though mechanical response is normally due to piezoelectricity, other physical phenomena, especially electrostatic interaction, can contribute to the signal read. We address this problematic through the use of longer ultra-stiff probes providing state of the art sensitivity, with the lowest electrostatic interaction and avoiding working in high frequency regime. In order to find this solution we develop a theoretical description addressing the effects of electrostatic contributions in the total cantilever vibration and its quantification for different setups. The theory is subsequently tested in a Periodically Poled Lithium Niobate (PPLN) crystal, a sample with well-defined 0° and 180° domains, using different commercial available conductive tips. We employ the theoretical description to compare the electrostatic contribution effects into the total phase recorded. Through experimental data our description is corroborated for each of the tested commercially available probes. We propose that a larger probe length can be a solution to avoid electrostatic forces, so the cantilever-sample electrostatic interaction is reduced. Our proposed solution has great implications into avoiding artifacts while studying soft biological samples, multiferroic oxides, and thin film ferroelectric materials.

Electromagnetic and electrostatic emissions at the cusp-magnetosphere interface during substorms

NASA Technical Reports Server (NTRS)

Curtis, S. A.; Fairfield, D. H.; Wu, C. S.

1979-01-01

Strongly peaked electrostatic emissions near 10.0 kHz and electromagnetic emissions near 0.56 kHz have been observed by the VLF wave detector on board Imp 6 on crossings from the earth's magnetosphere into the polar cusp during the occurrence of large magnetospheric substorms. The electrostatic emissions were observed to be closely confined to the cusp-magnetosphere interface. The electromagnetic emissions were of somewhat broader spatial extent and were seen on higher-latitude field lines within the cusp. Using these plasma wave observations and additional information provided by plasma, magnetometer and particle measurements made simultaneously on Imp 6, theories are constructed to explain each of the two classes of emission. The electromagnetic waves are modeled as whistlers, and the electrostatic waves as electron-cyclotron harmonics. The resulting growth rates predict power spectra similar to those observed for both emission classes. The electrostatic waves may play a significant role via enhanced diffusion in the relaxation of the sharp substorm time cusp-magnetosphere boundary to a more diffuse quiet time boundary.

Electrostatic fluctuations in collisional plasmas

NASA Astrophysics Data System (ADS)

Rozmus, W.; Brantov, A.; Fortmann-Grote, C.; Bychenkov, V. Yu.; Glenzer, S.

2017-10-01

We present a theory of electrostatic fluctuations in two-component plasmas where electrons and ions are described by Maxwellian distribution functions at unequal temperatures. Based on the exact solution of the Landau kinetic equation, that includes electron-electron, electron-ion, and ion-ion collision integrals, the dynamic form factor, S (k ⃗,ω ) , is derived for weakly coupled plasmas. The collective plasma responses at ion-acoustic, Langmuir, and entropy mode resonances are described for arbitrary wave numbers and frequencies in the entire range of plasma collisionality. The collisionless limit of S (k ⃗,ω ) and the strong-collision result based on the fluctuation-dissipation theorem and classical transport at Te=Ti are recovered and discussed. Results of several Thomson scattering experiments in the broad range of plasma parameters are described and discussed by means of our theory for S (k ⃗,ω ) .

Electrostatics in protein–protein docking

PubMed Central

Heifetz, Alexander; Katchalski-Katzir, Ephraim; Eisenstein, Miriam

2002-01-01

A novel geometric-electrostatic docking algorithm is presented, which tests and quantifies the electrostatic complementarity of the molecular surfaces together with the shape complementarity. We represent each molecule to be docked as a grid of complex numbers, storing information regarding the shape of the molecule in the real part and information regarding the electrostatic character of the molecule in the imaginary part. The electrostatic descriptors are derived from the electrostatic potential of the molecule. Thus, the electrostatic character of the molecule is represented as patches of positive, neutral, or negative values. The potential for each molecule is calculated only once and stored as potential spheres adequate for exhaustive rotation/translation scans. The geometric-electrostatic docking algorithm is applied to 17 systems, starting form the structures of the unbound molecules. The results—in terms of the complementarity scores of the nearly correct solutions, their ranking in the lists of sorted solutions, and their statistical uniqueness—are compared with those of geometric docking, showing that the inclusion of electrostatic complementarity in docking is very important, in particular in docking of unbound structures. Based on our results, we formulate several "good electrostatic docking rules": The geometric-electrostatic docking procedure is more successful than geometric docking when the potential patches are large and when the potential extends away from the molecular surface and protrudes into the solvent. In contrast, geometric docking is recommended when the electrostatic potential around the molecules to be docked appears homogenous, that is, with a similar sign all around the molecule. PMID:11847280

Observations of a free-energy source for intense electrostatic waves. [in upper atmosphere near upper hybrid resonance frequency

NASA Technical Reports Server (NTRS)

Kurth, W. S.; Frank, L. A.; Gurnett, D. A.; Burek, B. G.; Ashour-Abdalla, M.

1980-01-01

Significant progress has been made in understanding intense electrostatic waves near the upper hybrid resonance frequency in terms of the theory of multiharmonic cyclotron emission using a classical loss-cone distribution function as a model. Recent observations by Hawkeye 1 and GEOS 1 have verified the existence of loss-cone distributions in association with the intense electrostatic wave events, however, other observations by Hawkeye and ISEE have indicated that loss cones are not always observable during the wave events, and in fact other forms of free energy may also be responsible for the instability. Now, for the first time, a positively sloped feature in the perpendicular distribution function has been uniquely identified with intense electrostatic wave activity. Correspondingly, we suggest that the theory is flexible under substantial modifications of the model distribution function.

Continuum theory of lipid bilayer electrostatics.

PubMed

Gerami, R; Bruinsma, R F

2009-10-01

In order to address the concerns about the applicability of the continuum theory of lipid bilayers, we generalize it by including a film with uniaxial dielectric properties representing the polar head groups of the lipid molecules. As a function of the in-plane dielectric constant κ|| of this film, we encounter a sequence of different phases. For low values of κ||, transmembrane pores have aqueous cores, ions are repelled by the bilayer, and the ion permeability of the bilayer is independent of the ion radius as in the existing theory. For increasing κ||, a threshold is reached--of the order of the dielectric constant of water--beyond which ions are attracted to the lipid bilayer by generic polarization attraction, transmembrane pores collapse, and the ion permeability becomes sensitively dependent on the ion radius, results that are more consistent with experimental and numerical studies of the interaction of ions with neutral lipid bilayers. At even higher values of κ||, the ion/pore complexes are predicted to condense in the form of extended arrays. The generalized continuum theory can be tested quantitatively by studies of the ion permeability as a function of salt concentration and co-surfactant concentration.

Electrostatic fluctuations in collisional plasmas

DOE PAGES

Rozmus, W.; Brantov, A.; Fortmann-Grote, C.; ...

2017-10-12

Here, we present a theory of electrostatic fluctuations in two-component plasmas where electrons and ions are described by Maxwellian distribution functions at unequal temperatures. Based on the exact solution of the Landau kinetic equation, that includes electron-electron, electron-ion, and ion-ion collision integrals, the dynamic form factor, S( →k,ω), is derived for weakly coupled plasmas. The collective plasma responses at ion-acoustic, Langmuir, and entropy mode resonances are described for arbitrary wave numbers and frequencies in the entire range of plasma collisionality. The collisionless limit of S( →k,ω) and the strong-collision result based on the fluctuation-dissipation theorem and classical transport at Tmore » e = T i are recovered and discussed. Results of several Thomson scattering experiments in the broad range of plasma parameters are described and discussed by means of our theory for S( →k,ω).« less

Electrostatic fluctuations in collisional plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rozmus, W.; Brantov, A.; Fortmann-Grote, C.

Here, we present a theory of electrostatic fluctuations in two-component plasmas where electrons and ions are described by Maxwellian distribution functions at unequal temperatures. Based on the exact solution of the Landau kinetic equation, that includes electron-electron, electron-ion, and ion-ion collision integrals, the dynamic form factor, S( →k,ω), is derived for weakly coupled plasmas. The collective plasma responses at ion-acoustic, Langmuir, and entropy mode resonances are described for arbitrary wave numbers and frequencies in the entire range of plasma collisionality. The collisionless limit of S( →k,ω) and the strong-collision result based on the fluctuation-dissipation theorem and classical transport at Tmore » e = T i are recovered and discussed. Results of several Thomson scattering experiments in the broad range of plasma parameters are described and discussed by means of our theory for S( →k,ω).« less

Electrostatic fluctuations in collisional plasmas.

PubMed

Rozmus, W; Brantov, A; Fortmann-Grote, C; Bychenkov, V Yu; Glenzer, S

2017-10-01

We present a theory of electrostatic fluctuations in two-component plasmas where electrons and ions are described by Maxwellian distribution functions at unequal temperatures. Based on the exact solution of the Landau kinetic equation, that includes electron-electron, electron-ion, and ion-ion collision integrals, the dynamic form factor, S(k[over ⃗],ω), is derived for weakly coupled plasmas. The collective plasma responses at ion-acoustic, Langmuir, and entropy mode resonances are described for arbitrary wave numbers and frequencies in the entire range of plasma collisionality. The collisionless limit of S(k[over ⃗],ω) and the strong-collision result based on the fluctuation-dissipation theorem and classical transport at T_{e}=T_{i} are recovered and discussed. Results of several Thomson scattering experiments in the broad range of plasma parameters are described and discussed by means of our theory for S(k[over ⃗],ω).

Electrostatic Levitator (ESL)

NASA Technical Reports Server (NTRS)

1998-01-01

Dr. Rulison of Space System LORAl working with the Electrostatic Levitation (ESL) prior to the donation. Space System/LORAL donated the electrostatic containerless processing system to NASA's Marshall Space Flight Center (MSFC). The official hand over took place in July 1998.

Electrostatic forces in planetary rings

NASA Technical Reports Server (NTRS)

Goertz, C. K.; Shan, Linhua; Havnes, O.

1988-01-01

The average charge on a particle in a particle-plasma cloud, the plasma potential inside the cloud, and the Coulomb force acting on the particle are calculated. The net repulsive electrostatic force on a particle depends on the plasma density, temperature, density of particles, particle size, and the gradient of the particle density. In a uniformly dense ring the electrostatic repulsion is zero. It is also shown that the electrostatic force acts like a pressure force, that even a collisionless ring can be stable against gravitational collapse, and that a finite ring thickness does not necessarily imply a finite velocity dispersion. A simple criterion for the importance of electrostatic forces in planetary rings is derived which involves the calculation of the vertical ring thickness which would result if only electrostatic repulsion were responsible for the finite ring thickness. Electrostatic forces are entirely negligible in the main rings of Saturn and the E and G rings. They may also be negligible in the F ring. However, the Uranian rings and Jupiter's ring seem to be very much influenced by electrostatic repulsion. In fact, electrostatic forces could support a Jovian ring which is an order of magnitude more dense than observed.

PREFACE: 7th International Conference on Applied Electrostatics (ICAES-2012)

NASA Astrophysics Data System (ADS)

Li, Jie

2013-03-01

ICAES is an important conference organized every four years by the Committee on Electrostatics of the Chinese Physical Society, which serves as a forum for scientists, educators and engineers interested in the fundamentals, applications, disasters and safety of electrostatics, etc. In recent years, new techniques, applications and fundamental theories on electrostatics have developed considerably. ICAES-7, held in Dalian, China, from 17-19 September 2012, aimed to provide a forum for all scholars to report the newest developments in electrostatics, to probe the questions that scholars faced and to discuss fresh ideas related to electrostatics. ICAES-7 was co-organized and hosted by Dalian University of Technology, and was sponsored by the Ministry of Education of China, the National Natural Science Foundation of China, Dalian University of Technology, Nanjing Suman Electronics Co. Ltd (Suman, China), Shekonic (Yangzhou Shuanghong, China) Electric/Mechanical Co. Ltd, and Suzhou TA&A Ultra Clean Technology Co. Ltd. (China). On behalf of the organizing committee of ICAES-7, I express my great appreciation for their support of the conference. Over 160 scholars and engineers from many countries including Croatia, The Czech Republic, D.P.R. Korea, Germany, Japan, Malaysia, Poland, Russia, the United States of America, China attended ICAES-7, and the conference collected and selected 149 papers for publication. The subjects of those papers cover the fundamentals of electrostatics, electrostatic disaster and safety, and electrostatic application (e.g. precipitation, pollutant control, biological treatment, mixture separation and food processing, etc). I cordially thank all authors and attendees for their support, and my appreciation is also given to the conference honorary chair, the organizing committee and advisory committee, and the conference secretaries for their hard work. ICAES-7 is dedicated to the memory of Professor Jen-Shih Chang (professor emeritus in the

Multipolar electrostatics.

PubMed

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.

A MATHEMATICAL MODEL OF ELECTROSTATIC PRECIPITATION. (REVISION 1): VOLUME I. MODELING AND PROGRAMMING

EPA Science Inventory

The report briefly describes the fundamental mechanisms and limiting factors involved in the electrostatic precipitation process. It discusses theories and procedures used in the computer model to describe the physical mechanisms, and generally describes the major operations perf...

Electrostatics at the nanoscale.

PubMed

Walker, David A; Kowalczyk, Bartlomiej; de la Cruz, Monica Olvera; Grzybowski, Bartosz A

2011-04-01

Electrostatic forces are amongst the most versatile interactions to mediate the assembly of nanostructured materials. Depending on experimental conditions, these forces can be long- or short-ranged, can be either attractive or repulsive, and their directionality can be controlled by the shapes of the charged nano-objects. This Review is intended to serve as a primer for experimentalists curious about the fundamentals of nanoscale electrostatics and for theorists wishing to learn about recent experimental advances in the field. Accordingly, the first portion introduces the theoretical models of electrostatic double layers and derives electrostatic interaction potentials applicable to particles of different sizes and/or shapes and under different experimental conditions. This discussion is followed by the review of the key experimental systems in which electrostatic interactions are operative. Examples include electroactive and "switchable" nanoparticles, mixtures of charged nanoparticles, nanoparticle chains, sheets, coatings, crystals, and crystals-within-crystals. Applications of these and other structures in chemical sensing and amplification are also illustrated.

Contribution of crosstalk to the uncertainty of electrostatic actuator calibrations.

PubMed

Shams, Qamar A; Soto, Hector L; Zuckerwar, Allan J

2009-09-01

Crosstalk in electrostatic actuator calibrations is defined as the ratio of the microphone response to the actuator excitation voltage at a given frequency with the actuator polarization voltage turned off to the response, at the excitation frequency, with the polarization voltage turned on. It consequently contributes to the uncertainty of electrostatic actuator calibrations. Two sources of crosstalk are analyzed: the first attributed to the stray capacitance between the actuator electrode and the microphone backplate, and the second to the ground resistance appearing as a common element in the actuator excitation and microphone input loops. Measurements conducted on 1/4, 1/2, and 1 in. air condenser microphones reveal that the crosstalk has no frequency dependence up to the membrane resonance frequency and that the level of crosstalk lies at about -60 dB for all three microphones-conclusions that are consistent with theory. The measurements support the stray capacitance model. The contribution of crosstalk to the measurement standard uncertainty of an electrostatic actuator calibration is therewith 0.01 dB.

Edutainment Science: Electrostatics

ERIC Educational Resources Information Center

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…

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

NASA Technical Reports Server (NTRS)

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.

Computational modeling of electrostatic charge and fields produced by hypervelocity impact

DOE PAGES

Crawford, David A.

2015-05-19

Following prior experimental evidence of electrostatic charge separation, electric and magnetic fields produced by hypervelocity impact, we have developed a model of electrostatic charge separation based on plasma sheath theory and implemented it into the CTH shock physics code. Preliminary assessment of the model shows good qualitative and quantitative agreement between the model and prior experiments at least in the hypervelocity regime for the porous carbonate material tested. The model agrees with the scaling analysis of experimental data performed in the prior work, suggesting that electric charge separation and the resulting electric and magnetic fields can be a substantial effectmore » at larger scales, higher impact velocities, or both.« less

Hybrid Electrostatic/Acoustic Levitator

NASA Technical Reports Server (NTRS)

Rhim, Won K.; Trinh, Eugene H.; Chung, Sang K.; Elleman, Daniel D.

1987-01-01

Because electrostatic and acoustic forces independent of each other, hybrid levitator especially suitable for studies of drop dynamics. Like all-acoustic or all-electrostatic systems, also used in studies of containerless material processing. Vertical levitating force applied to sample by upper and lower electrodes. Torques or vibrational forces in horizontal plane applied by acoustic transducers. Electrically charged water drop about 4 mm in diameter levitated electrostatically and rotated acoustically until it assumed dumbell shape and broke apart.

Branches of electrostatic turbulence inside solitary plasma structures in the auroral ionosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Golovchanskaya, Irina V.; Kozelov, Boris V.; Chernyshov, Alexander A.

2014-08-15

The excitation of electrostatic turbulence inside space-observed solitary structures is a central topic of this exposition. Three representative solitary structures observed in the topside auroral ionosphere as large-amplitude nonlinear signatures in the electric field and magnetic-field-aligned current on the transverse scales of ∼10{sup 2}–10{sup 3} m are evaluated by the theories of electrostatic wave generation in inhomogeneous background configurations. A quantitative analysis shows that the structures are, in general, effective in destabilizing the inhomogeneous energy-density-driven (IEDD) waves, as well as of the ion acoustic waves modified by a shear in the parallel drift of ions. It is demonstrated that the dominatingmore » branch of the electrostatic turbulence is determined by the interplay of various driving sources inside a particular solitary structure. The sources do not generally act in unison, so that their common effect may be inhibiting for excitation of electrostatic waves of a certain type. In the presence of large magnetic-field-aligned current, which is not correlated to the inhomogeneous electric field inside the structure, the ion-acoustic branch becomes dominating. In other cases, the IEDD instability is more central.« less

Magnetosheath electrostatic turbulence

NASA Technical Reports Server (NTRS)

Rodriquez, P.

1977-01-01

The spectrum of electrostatic plasma waves in the terrestrial magnetosheath was studied using the plasma wave experiment on the IMP-6 satellite. Electrostatic plasma wave turbulence is almost continuously present throughout the magnetosheath with broadband (20 Hz- 70 kHz) r.m.s. field intensities typically 0.01 - 1.0 millivolts/m. Peak intensities of about 1.0 millivolts/m near the electron plasma frequency (30 - 60 kHz) were detected occasionally. The components usually identified in the spectrum of magnetosheath electrostatic turbulence include a high frequency ( or = 30 kHz) component peaking at the electron plasma frequency f sub pe, a low frequency component with a broad intensity maximum below the nominal ion plasma frequency f sub pi (approximately f sub pe/43), and a less well defined intermediate component in the range f sub pi f f sub pe. The intensity distribution of magnetosheath electrostatic turbulence clearly shows that the low frequency component is associated with the bow shock, suggesting that the ion heating begun at the shock continues into the downstream magnetosheath.

Poloidal rotation driven by nonlinear momentum transport in strong electrostatic turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Lu; Wen, Tiliang; Diamond, P. H.

2016-08-11

Virtually, all existing theoretical works on turbulent poloidal momentum transport are based on quasilinear theory. Nonlinear poloidal momentum flux—more » $$\\langle {{\\tilde{v}}_{r}}\\tilde{n}{{\\tilde{v}}_{\\theta}}\\rangle $$ is universally neglected. However, in the strong turbulence regime where relative fluctuation amplitude is no longer small, quasilinear theory is invalid. This is true at the all-important plasma edge. In this work, nonlinear poloidal momentum flux $$\\langle {{\\tilde{v}}_{r}}\\tilde{n}{{\\tilde{v}}_{\\theta}}\\rangle $$ in strong electrostatic turbulence is calculated using the Hasegawa–Mima equation, and is compared with quasilinear poloidal Reynolds stress. A novel property is that symmetry breaking in fluctuation spectrum is not necessary for a nonlinear poloidal momentum flux. This is fundamentally different from the quasilinear Reynold stress. Furthermore, the comparison implies that the poloidal rotation drive from the radial gradient of nonlinear momentum flux is comparable to that from the quasilinear Reynolds force. Nonlinear poloidal momentum transport in strong electrostatic turbulence is thus not negligible for poloidal rotation drive, and so may be significant to transport barrier formation.« less

ELECTROSTATIC ACCELERATORS (in French)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gerbier, R.

1962-04-01

The various methods presently in use for producing the continuous high voltage necessary for the operation of electrostatic accelerators are reviewed. The methods considered are voltage multiplier units (Greinacher and Morganstern types) and electrostatic instruments (Van de Graaff and Trump machines and Felici rotnting cylinder instruments). The electrostatic accelerators used at Grenoble which give currents of several milliamperes at voltages up to 1.2 Mv are described. In this energy region electron accelerators and neutron generators offer very interesting possibilities. (auth)

Electrostatic Precipitator

NASA Image and Video Library

2017-06-09

Dr. Carlos Calle, lead scientist in the Kennedy Space Center's Electrostatics and Surface Physics Laboratory, left, and Jay Phillips, a research physicist, are modifying an electrostatic precipitator to help remove dust from simulated Martian atmosphere. NASA's Journey to Mars requires cutting-edge technologies to solve the problems explorers will face on the Red Planet. Scientists are developing some of the needed solutions by adapting a device to remove the ever-present dust from valuable elements in the Martian atmosphere. Those commodities include oxygen, water and methane.

Electrostatic Precipitator

NASA Image and Video Library

2017-06-09

Dr. Carlos Calle, lead scientist in the Kennedy Space Center's Electrostatics and Surface Physics Laboratory, left, and Jay Phillips, a research physicist, are modifying an electrostatic precipitator to help remove dust from a simulated Martian atmosphere. NASA's Journey to Mars requires cutting-edge technologies to solve the problems explorers will face on the Red Planet. Scientists are developing some of the needed solutions by adapting a device to remove the ever-present dust from valuable elements in the Martian atmosphere. Those commodities include oxygen, water and methane.

A model for chorus associated electrostatic bursts

NASA Technical Reports Server (NTRS)

Grabbe, C. L.

1984-01-01

The linear theory of the generation of electrostatic bursts of noise by electrons trapped in chorus wave packets is developed for a finite temperature electron beam and a Maxwellian elecron and ion background. The growth rates determined qualitatively in good agreement with those obtained by previous authors from a more idealized model. Two connected instability mechanisms seem to be occurring: a beam plasma (electron-ion two-stream) instability commonly associated with intensification of the chorus power levels, and a transitional or borderline resistive medium instability commonly associated with chorus hooks. The physical reasons for the two mechanisms is discussed. In the second case electron beams are difficult to identify in the particle data. An expression is obtained for the maximum growth rate in terms of the ratios of the beam and electron thermal velocities to the beam velocity, and of the beam density to plasma density. It is anticipated that this may allow the observed peak in the electrostatic noise spectrum to be used as a diagnostic for the beam characteristics. Previously announced in STAR as N84-12832

Electrostatic Precipitator

NASA Image and Video Library

2017-06-09

Jay Phillips, a research physicist in the Kennedy Space Center's Electrostatics and Surface Physics Laboratory, left, and Dr. Carlos Calle, lead scientist in the lab, are modifying an electrostatic precipitator to help remove dust from simulated Martian atmosphere. NASA's Journey to Mars requires cutting-edge technologies to solve the problems explorers will face on the Red Planet. Scientists are developing some of the needed solutions by adapting a device to remove the ever-present dust from valuable elements in the Martian atmosphere. Those commodities include oxygen, water and methane.

Electrostatic complementarity at protein/protein interfaces.

PubMed

McCoy, A J; Chandana Epa, V; Colman, P M

1997-05-02

Calculation of the electrostatic potential of protein-protein complexes has led to the general assertion that protein-protein interfaces display "charge complementarity" and "electrostatic complementarity". In this study, quantitative measures for these two terms are developed and used to investigate protein-protein interfaces in a rigorous manner. Charge complementarity (CC) was defined using the correlation of charges on nearest neighbour atoms at the interface. All 12 protein-protein interfaces studied had insignificantly small CC values. Therefore, the term charge complementarity is not appropriate for the description of protein-protein interfaces when used in the sense measured by CC. Electrostatic complementarity (EC) was defined using the correlation of surface electrostatic potential at protein-protein interfaces. All twelve protein-protein interfaces studied had significant EC values, and thus the assertion that protein-protein association involves surfaces with complementary electrostatic potential was substantially confirmed. The term electrostatic complementarity can therefore be used to describe protein-protein interfaces when used in the sense measured by EC. Taken together, the results for CC and EC demonstrate the relevance of the long-range effects of charges, as described by the electrostatic potential at the binding interface. The EC value did not partition the complexes by type such as antigen-antibody and proteinase-inhibitor, as measures of the geometrical complementarity at protein-protein interfaces have done. The EC value was also not directly related to the number of salt bridges in the interface, and neutralisation of these salt bridges showed that other charges also contributed significantly to electrostatic complementarity and electrostatic interactions between the proteins. Electrostatic complementarity as defined by EC was extended to investigate the electrostatic similarity at the surface of influenza virus neuraminidase where the

Chromatin ionic atmosphere analyzed by a mesoscale electrostatic approach.

PubMed

Gan, Hin Hark; Schlick, Tamar

2010-10-20

Characterizing the ionic distribution around chromatin is important for understanding the electrostatic forces governing chromatin structure and function. Here we develop an electrostatic model to handle multivalent ions and compute the ionic distribution around a mesoscale chromatin model as a function of conformation, number of nucleosome cores, and ionic strength and species using Poisson-Boltzmann theory. This approach enables us to visualize and measure the complex patterns of counterion condensation around chromatin by examining ionic densities, free energies, shielding charges, and correlations of shielding charges around the nucleosome core and various oligonucleosome conformations. We show that: counterions, especially divalent cations, predominantly condense around the nucleosomal and linker DNA, unburied regions of histone tails, and exposed chromatin surfaces; ionic screening is sensitively influenced by local and global conformations, with a wide ranging net nucleosome core screening charge (56-100e); and screening charge correlations reveal conformational flexibility and interactions among chromatin subunits, especially between the histone tails and parental nucleosome cores. These results provide complementary and detailed views of ionic effects on chromatin structure for modest computational resources. The electrostatic model developed here is applicable to other coarse-grained macromolecular complexes. Copyright © 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Correlated hydrogen bonding fluctuations and vibrational cross peaks in N-methyl acetamide: simulation based on a complete electrostatic density functional theory map.

PubMed

Hayashi, Tomoyuki; Mukamel, Shaul

2006-11-21

The coherent nonlinear response of the entire amide line shapes of N-methyl acetamide to three infrared pulses is simulated using an electrostatic density functional theory map. Positive and negative cross peaks contain signatures of correlations between the fundamentals and the combination state. The amide I-A and I-III cross-peak line shapes indicate positive correlation and anticorrelation of frequency fluctuations, respectively. These can be ascribed to correlated hydrogen bonding at C[double bond]O and N-H sites. The amide I frequency is negatively correlated with the hydrogen bond on carbonyl C[double bond]O, whereas the amide A and III are negatively and positively correlated, respectively, with the hydrogen bond on amide N-H.

PCE: web tools to compute protein continuum electrostatics

PubMed Central

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

On the theory of Carriers's Electrostatic Interaction near an Interface

NASA Astrophysics Data System (ADS)

Waters, Michael; Hashemi, Hossein; Kieffer, John

2015-03-01

Heterojunction interfaces are common in non-traditional photovoltaic device designs, such as those based small molecules, polymers, and perovskites. We have examined a number of the effects of the heterojunction interface region on carrier/exciton energetics using a mixture of both semi-classical and quantum electrostatic methods, ab initio methods, and statistical mechanics. Our theoretical analysis has yielded several useful relationships and numerical recipes that should be considered in device design regardless of the particular materials system. As a demonstration, we highlight these formalisms as applied to carriers and polaron pairs near a C60/subphthalocyanine interface. On the regularly ordered areas of the heterojunction, the effect of the interface is a significant set of corrections to the carrier energies, which in turn directly affects device performance.

Limits of applicability of the quasilinear approximation to the electrostatic wave-plasma interaction

NASA Astrophysics Data System (ADS)

Zacharegkas, Georgios; Isliker, Heinz; Vlahos, Loukas

2016-11-01

The limitation of the Quasilinear Theory (QLT) to describe the diffusion of electrons and ions in velocity space when interacting with a spectrum of large amplitude electrostatic Langmuir, Upper and Lower hybrid waves, is analyzed. We analytically and numerically estimate the threshold for the amplitude of the waves above which the QLT breaks down, using a test particle code. The evolution of the velocity distribution, the velocity-space diffusion coefficients, the driven current, and the heating of the particles are investigated, for the interaction with small and large amplitude electrostatic waves, that is, in both regimes, where QLT is valid and where it clearly breaks down.

Electrostatic analogy for symmetron gravity

NASA Astrophysics Data System (ADS)

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.

Electrostatic Field Invisibility Cloak

NASA Astrophysics Data System (ADS)

Lan, Chuwen; Yang, Yuping; Geng, Zhaoxin; Li, Bo; Zhou, Ji

2015-11-01

The invisibility cloak has been drawing much attention due to its new concept for manipulating many physical fields, from oscillating wave fields (electromagnetic, acoustic and elastic) to static magnetic fields, dc electric fields, and diffusive fields. Here, an electrostatic field invisibility cloak has been theoretically investigated and experimentally demonstrated to perfectly hide two dimensional objects without disturbing their external electrostatic fields. The desired cloaking effect has been achieved via both cancelling technology and transformation optics (TO). This study demonstrates a novel way for manipulating electrostatic fields, which shows promise for a wide range of potential applications.

A new constituent of electrostatic energy in semiconductors. An attempt to reformulate electrostatic energy in matter

NASA Astrophysics Data System (ADS)

Sallese, Jean-Michel

2016-06-01

The concept of electric energy is revisited in detail for semiconductors. We come to the conclusion that the main relationship used to calculate the energy related to the penetration of the electric field in semiconductors is missing a fundamental term. For instance, spatial derivate of the electrostatic energy using the traditional formula fails at giving the correct electrostatic force between semiconductor based capacitor plates, and reveals unambiguously the existence of an extra contribution to the standard electrostatic free energy. The additional term is found to be related to the generation of space charge regions which are predicted when combining electrostatics with semiconductor physics laws, such as for accumulation and inversion layers. On the contrary, no such energy is needed when relying on electrostatics only, as for instance when adopting the so-called full depletion approximation. The same holds for neutral and charged insulators that are still consistent with the customary definition, but these two examples are in fact singular cases. In semiconductors for instance, this additional energy can largely exceed the energy gained by the dipoles, thus becoming the dominant term. This unexpected result clearly asks for a generalization of electrostatic energy in matter in order to reconcile basic concepts of electrostatic energy in the framework of classical physics.

Calculation of electrostatic fields in periodic structures of complex shape

NASA Technical Reports Server (NTRS)

Kravchenko, V. F.

1978-01-01

A universal algorithm is presented for calculating electrostatic fields in an infinite periodic structure consisting of electrodes of arbitrary shape which are located in mirror-symmetrical manner along the axis of electron-beam propagation. The method is based on the theory of R-functions, and the differential operators which are derived on the basis of the functions. Numerical results are presented and the accuracy of the results is examined.

Micromachined electrostatic vertical actuator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Abraham P.; Sommargren, Gary E.; McConaghy, Charles F.

A micromachined vertical actuator utilizing a levitational force, such as in electrostatic comb drives, provides vertical actuation that is relatively linear in actuation for control, and can be readily combined with parallel plate capacitive position sensing for position control. The micromachined electrostatic vertical actuator provides accurate movement in the sub-micron to micron ranges which is desirable in the phase modulation instrument, such as optical phase shifting. For example, compact, inexpensive, and position controllable micromirrors utilizing an electrostatic vertical actuator can replace the large, expensive, and difficult-to-maintain piezoelectric actuators. A thirty pound piezoelectric actuator with corner cube reflectors, as utilized inmore » a phase shifting diffraction interferometer can be replaced with a micromirror and a lens. For any very precise and small amplitudes of motion` micromachined electrostatic actuation may be used because it is the most compact in size, with low power consumption and has more straightforward sensing and control options.« less

Micromachined electrostatic vertical actuator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, A.P.; Sommargren, G.E.; McConaghy, C.F.

A micromachined vertical actuator utilizing a levitational force, such as in electrostatic comb drives, provides vertical actuation that is relatively linear in actuation for control, and can be readily combined with parallel plate capacitive position sensing for position control. The micromachined electrostatic vertical actuator provides accurate movement in the sub-micron to micron ranges which is desirable in the phase modulation instrument, such as optical phase shifting. For example, compact, inexpensive, and position controllable micromirrors utilizing an electrostatic vertical actuator can replace the large, expensive, and difficult-to-maintain piezoelectric actuators. A thirty pound piezoelectric actuator with corner cube reflectors, as utilized inmore » a phase shifting diffraction interferometer can be replaced with a micromirror and a lens. For any very precise and small amplitudes of motion, micromachined electrostatic actuation may be used because it is the most compact in size, with low power consumption and has more straightforward sensing and control options.« less

Predicting Electrostatic Forces in RNA Folding

PubMed Central

Tan, Zhi-Jie; Chen, Shi-Jie

2016-01-01

Metal ion-mediated electrostatic interactions are critical to RNA folding. Although considerable progress has been made in mechanistic studies, the problem of accurate predictions for the ion effects in RNA folding remains unsolved, mainly due to the complexity of several potentially important issues such as ion correlation and dehydration effects. In this chapter, after giving a brief overview of the experimental findings and theoretical approaches, we focus on a recently developed new model, the tightly bound ion (TBI) model, for ion electrostatics in RNA folding. The model is unique because it can treat ion correlation and fluctuation effects for realistic RNA 3D structures. For monovalent ion (such as Na+) solutions, where ion correlation is weak, TBI and the Poisson–Boltzmann (PB) theory give the same results and the results agree with the experimental data. For multivalent ion (such as Mg2+) solutions, where ion correlation can be strong, however, TBI gives much improved predictions than the PB. Moreover, the model suggests an ion correlation- induced mechanism for the unusual efficiency of Mg2+ ions in the stabilization of RNA tertiary folds. In this chapter, after introducing the theoretical framework of the TBI model, we will describe how to apply the model to predict ion-binding properties and ion-dependent folding stabilities. PMID:20946803

Statistical field theory description of inhomogeneous polarizable soft matter

NASA Astrophysics Data System (ADS)

Martin, Jonathan M.; Li, Wei; Delaney, Kris T.; Fredrickson, Glenn H.

2016-10-01

We present a new molecularly informed statistical field theory model of inhomogeneous polarizable soft matter. The model is based on fluid elements, referred to as beads, that can carry a net monopole of charge at their center of mass and a fixed or induced dipole through a Drude-type distributed charge approach. The beads are thus polarizable and naturally manifest attractive van der Waals interactions. Beyond electrostatic interactions, beads can be given soft repulsions to sustain fluid phases at arbitrary densities. Beads of different types can be mixed or linked into polymers with arbitrary chain models and sequences of charged and uncharged beads. By such an approach, it is possible to construct models suitable for describing a vast range of soft-matter systems including electrolyte and polyelectrolyte solutions, ionic liquids, polymerized ionic liquids, polymer blends, ionomers, and block copolymers, among others. These bead models can be constructed in virtually any ensemble and converted to complex-valued statistical field theories by Hubbard-Stratonovich transforms. One of the fields entering the resulting theories is a fluctuating electrostatic potential; other fields are necessary to decouple non-electrostatic interactions. We elucidate the structure of these field theories, their consistency with macroscopic electrostatic theory in the absence and presence of external electric fields, and the way in which they embed van der Waals interactions and non-uniform dielectric properties. Their suitability as a framework for computational studies of heterogeneous soft matter systems using field-theoretic simulation techniques is discussed.

Statistical field theory description of inhomogeneous polarizable soft matter.

PubMed

Martin, Jonathan M; Li, Wei; Delaney, Kris T; Fredrickson, Glenn H

2016-10-21

We present a new molecularly informed statistical field theory model of inhomogeneous polarizable soft matter. The model is based on fluid elements, referred to as beads, that can carry a net monopole of charge at their center of mass and a fixed or induced dipole through a Drude-type distributed charge approach. The beads are thus polarizable and naturally manifest attractive van der Waals interactions. Beyond electrostatic interactions, beads can be given soft repulsions to sustain fluid phases at arbitrary densities. Beads of different types can be mixed or linked into polymers with arbitrary chain models and sequences of charged and uncharged beads. By such an approach, it is possible to construct models suitable for describing a vast range of soft-matter systems including electrolyte and polyelectrolyte solutions, ionic liquids, polymerized ionic liquids, polymer blends, ionomers, and block copolymers, among others. These bead models can be constructed in virtually any ensemble and converted to complex-valued statistical field theories by Hubbard-Stratonovich transforms. One of the fields entering the resulting theories is a fluctuating electrostatic potential; other fields are necessary to decouple non-electrostatic interactions. We elucidate the structure of these field theories, their consistency with macroscopic electrostatic theory in the absence and presence of external electric fields, and the way in which they embed van der Waals interactions and non-uniform dielectric properties. Their suitability as a framework for computational studies of heterogeneous soft matter systems using field-theoretic simulation techniques is discussed.

Limiting assumptions in molecular modeling: electrostatics.

PubMed

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.

Electrostatic potential map modelling with COSY Infinity

NASA Astrophysics Data System (ADS)

Maloney, J. A.; Baartman, R.; Planche, T.; Saminathan, S.

2016-06-01

COSY Infinity (Makino and Berz, 2005) is a differential-algebra based simulation code which allows accurate calculation of transfer maps to arbitrary order. COSY's existing internal procedures were modified to allow electrostatic elements to be specified using an array of field potential data from the midplane. Additionally, a new procedure was created allowing electrostatic elements and their fringe fields to be specified by an analytic function. This allows greater flexibility in accurately modelling electrostatic elements and their fringe fields. Applied examples of these new procedures are presented including the modelling of a shunted electrostatic multipole designed with OPERA, a spherical electrostatic bender, and the effects of different shaped apertures in an electrostatic beam line.

Electrostatic Precipitator

NASA Image and Video Library

2017-06-09

In their Swamp Works laboratory at NASA's Kennedy Space Center, Dr. Carlos Calle and Jay Phillips are testing an electrostatic precipitator using dust that closely approximates the make-up of that on Mars. They upgraded their electrostatic precipitator to fully simulate Martian atmosphere by designing and constructing a dust aerosolization pre-chamber. The agency's Journey to Mars requires cutting-edge technologies to solve the problems explorers will face on the Red Planet. Scientists are developing some of the needed solutions by adapting a device to remove the ever-present dust from valuable elements in the Martian atmosphere. Those commodities include oxygen, water and methane.

Experimental study of electrostatic discharges of spacecraft solar array protective coatings under radiation

NASA Astrophysics Data System (ADS)

Khasanshin, Rashid; Novikov, Lev

Action of charged particles on low-conductive dielectrics causes formation of areas with a high charge density inside; their fields may give rise to development of electrostatic discharge between the charged area and the surface of the dielectric. Discharge channels are growing due to breakdown of dielectric and formation of a conducting phase. Generation of the channels is a complex stochastic process accompanied by such physical and chemical processes as ionization, gas formation, heating, and so on, which cause formation of conducting phase in a glass. That is why no quantitative theory describing formation of conductive channels has been formulated yet. The study of electrostatic discharges in dielectrics under radiation is essential both from a scientific point of view and for the solution of applied problems. In particular, interaction of a spacecraft with ambient plasma causes accumulation of electric charges on its surface producing, as a consequence, electric potential between the spacecraft surface and the plasma. For example, potentials on the surface of satellites operating on a geostationary orbit reach up to 20 kV. Elec-trostatic discharges caused by such potentials can produce not only the considerable electromag-netic interference, but also lead to the destruction of hardware components and structural ele-ments. Electrostatic charging due to electrons from the Earth’s radiation belts causes degradation of solar arrays as a result of surface and internal electrostatic discharges. In the work, surface of K-208 spacecraft solar array protective coatings irradiated by 20 and 40 keV electrons and protons has studied using by AFM methods. Traces of electrostatic dis-charges at different radiation flux densities were analyzed.

Cyclophilin A catalyzes proline isomerization by an electrostatic handle mechanism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Camilloni, Carlo; Sahakyan, Aleksander B.; Holliday, Michael

2014-07-15

Proline isomerization is a ubiquitous process that plays a key role in the folding of proteins and in the regulation of their functions1-3. Different families of enzymes, known as peptidyl-prolyl isomerases (PPIases), catalyse this reaction, which involves the interconversion between the cis and trans isomers of the Nterminal amide bond of the amino acid proline2,3. A complete description of the mechanisms by which these enzymes function, however, has remained elusive. Here, we show that cyclophilin A, one of the most common PPIases4, provides a catalytic environment that acts on the substrate through an electrostatic lever mechanism. In this mechanism, themore » electrostatic field in the catalytic site turns the electric dipole associated with the carboxylic group of the amino acid preceding the proline in the substrate, thus causing the rotation of the peptide bond between the two residues. This mechanism resulted from the analysis of an ensemble of conformations populated by cyclophilin A during the enzymatic reaction using a combination of NMR measurements, molecular dynamics simulations and density functional theory calculations. We anticipate that this approach will be helpful in elucidating whether the electrostatic lever mechanism that we describe is common to other PPIases, and more generally to characterise other enzymatic processes.« less

Cyclophilin A catalyzes proline isomerization by an electrostatic handle mechanism

PubMed Central

Camilloni, Carlo; Sahakyan, Aleksandr B.; Holliday, Michael J.; Isern, Nancy G.; Zhang, Fengli; Eisenmesser, Elan Z.; Vendruscolo, Michele

2014-01-01

Proline isomerization is a ubiquitous process that plays a key role in the folding of proteins and in the regulation of their functions. Different families of enzymes, known as “peptidyl-prolyl isomerases” (PPIases), catalyze this reaction, which involves the interconversion between the cis and trans isomers of the N-terminal amide bond of the amino acid proline. However, complete descriptions of the mechanisms by which these enzymes function have remained elusive. We show here that cyclophilin A, one of the most common PPIases, provides a catalytic environment that acts on the substrate through an electrostatic handle mechanism. In this mechanism, the electrostatic field in the catalytic site turns the electric dipole associated with the carbonyl group of the amino acid preceding the proline in the substrate, thus causing the rotation of the peptide bond between the two residues. We identified this mechanism using a combination of NMR measurements, molecular dynamics simulations, and density functional theory calculations to simultaneously determine the cis-bound and trans-bound conformations of cyclophilin A and its substrate as the enzymatic reaction takes place. We anticipate that this approach will be helpful in elucidating whether the electrostatic handle mechanism that we describe here is common to other PPIases and, more generally, in characterizing other enzymatic processes. PMID:24982184

Cyclophilin A catalyzes proline isomerization by an electrostatic handle mechanism.

PubMed

Camilloni, Carlo; Sahakyan, Aleksandr B; Holliday, Michael J; Isern, Nancy G; Zhang, Fengli; Eisenmesser, Elan Z; Vendruscolo, Michele

2014-07-15

Proline isomerization is a ubiquitous process that plays a key role in the folding of proteins and in the regulation of their functions. Different families of enzymes, known as "peptidyl-prolyl isomerases" (PPIases), catalyze this reaction, which involves the interconversion between the cis and trans isomers of the N-terminal amide bond of the amino acid proline. However, complete descriptions of the mechanisms by which these enzymes function have remained elusive. We show here that cyclophilin A, one of the most common PPIases, provides a catalytic environment that acts on the substrate through an electrostatic handle mechanism. In this mechanism, the electrostatic field in the catalytic site turns the electric dipole associated with the carbonyl group of the amino acid preceding the proline in the substrate, thus causing the rotation of the peptide bond between the two residues. We identified this mechanism using a combination of NMR measurements, molecular dynamics simulations, and density functional theory calculations to simultaneously determine the cis-bound and trans-bound conformations of cyclophilin A and its substrate as the enzymatic reaction takes place. We anticipate that this approach will be helpful in elucidating whether the electrostatic handle mechanism that we describe here is common to other PPIases and, more generally, in characterizing other enzymatic processes.

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

NASA Astrophysics Data System (ADS)

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

2015-12-01

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.

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

PubMed

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.

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

PubMed Central

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

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

PubMed

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.

Electrostatic Phenomena on Planetary Surfaces

NASA Astrophysics Data System (ADS)

Calle, Carlos I.

2017-02-01

The diverse planetary environments in the solar system react in somewhat different ways to the encompassing influence of the Sun. These different interactions define the electrostatic phenomena that take place on and near planetary surfaces. The desire to understand the electrostatic environments of planetary surfaces goes beyond scientific inquiry. These environments have enormous implications for both human and robotic exploration of the solar system. This book describes in some detail what is known about the electrostatic environment of the solar system from early and current experiments on Earth as well as what is being learned from the instrumentation on the space exploration missions (NASA, European Space Agency, and the Japanese Space Agency) of the last few decades. It begins with a brief review of the basic principles of electrostatics.

Electrostatic Characterization of Lunar Dust

NASA Technical Reports Server (NTRS)

2008-01-01

To ensure the safety and success of future lunar exploration missions, it is important to measure the toxicity of the lunar dust and its electrostatic properties. The electrostatic properties of lunar dust govern its behavior, from how the dust is deposited in an astronaut s lungs to how it contaminates equipment surfaces. NASA has identified the threat caused by lunar dust as one of the top two problems that need to be solved before returning to the Moon. To understand the electrostatic nature of lunar dust, NASA must answer the following questions: (1) how much charge can accumulate on the dust? (2) how long will the charge remain? and (3) can the dust be removed? These questions can be answered by measuring the electrostatic properties of the dust: its volume resistivity, charge decay, charge-to-mass ratio or chargeability, and dielectric properties.

Computational Methods for Biomolecular Electrostatics

PubMed Central

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

Explosion safety in industrial electrostatics

NASA Astrophysics Data System (ADS)

Szabó, S. V.; Kiss, I.; Berta, I.

2011-01-01

Complicated industrial systems are often endangered by electrostatic hazards, both from atmospheric (lightning phenomenon, primary and secondary lightning protection) and industrial (technological problems caused by static charging and fire and explosion hazards.) According to the classical approach protective methods have to be used in order to remove electrostatic charging and to avoid damages, however no attempt to compute the risk before and after applying the protective method is made, relying instead on well-educated and practiced expertise. The Budapest School of Electrostatics - in close cooperation with industrial partners - develops new suitable solutions for probability based decision support (Static Control Up-to-date Technology, SCOUT) using soft computing methods. This new approach can be used to assess and audit existing systems and - using the predictive power of the models - to design and plan activities in industrial electrostatics.

Optimization design combined with coupled structural-electrostatic analysis for the electrostatically controlled deployable membrane reflector

NASA Astrophysics Data System (ADS)

Liu, Chao; Yang, Guigeng; Zhang, Yiqun

2015-01-01

The electrostatically controlled deployable membrane reflector (ECDMR) is a promising scheme to construct large size and high precision space deployable reflector antennas. This paper presents a novel design method for the large size and small F/D ECDMR considering the coupled structure-electrostatic problem. First, the fully coupled structural-electrostatic system is described by a three field formulation, in which the structure and passive electrical field is modeled by finite element method, and the deformation of the electrostatic domain is predicted by a finite element formulation of a fictitious elastic structure. A residual formulation of the structural-electrostatic field finite element model is established and solved by Newton-Raphson method. The coupled structural-electrostatic analysis procedure is summarized. Then, with the aid of this coupled analysis procedure, an integrated optimization method of membrane shape accuracy and stress uniformity is proposed, which is divided into inner and outer iterative loops. The initial state of relatively high shape accuracy and uniform stress distribution is achieved by applying the uniform prestress on the membrane design shape and optimizing the voltages, in which the optimal voltage is computed by a sensitivity analysis. The shape accuracy is further improved by the iterative prestress modification using the reposition balance method. Finally, the results of the uncoupled and coupled methods are compared and the proposed optimization method is applied to design an ECDMR. The results validate the effectiveness of this proposed methods.

Teaching Electrostatics in University Courses

ERIC Educational Resources Information Center

Hughes, J. F.

1974-01-01

Describes an optional course on applied electrostatics that was offered to electrical engineers in their final year. Topics included the determination of electric fields, nature of the charging process, static electricity in liquids, solid state processes, charged particle applications, and electrostatic ignition. (GS)

Coarse-graining, Electrostatics and pH effects in phospholipid systems

NASA Astrophysics Data System (ADS)

Travesset, Alex; Vangaveti, Sweta

2010-03-01

We introduce a minimal free energy describing the interaction of charged groups and counterions including both classical electrostatic and specific interactions. The predictions of the model are compared against the standard model for describing ions next to charged interfaces, consisting of Poisson-Boltzmann theory with additional constants describing ion binding, which are specific to the counterion and the interfacial charge (``chemical binding''). It is shown that the ``chemical'' model can be appropriately described by an underlying ``physical'' model over several decades in concentration, but the extracted binding constants are not uniquely defined, as they differ depending on the particular observable quantity being studied. It is also shown that electrostatic correlations for divalent (or higher valence) ions enhance the surface charge by increasing deprotonation, an effect not properly accounted within chemical models. The model is applied to the charged phospholipids phosphatidylserine, Phosphatidc acid and Phosphoinositides and implications for different biological processes are discussed.

Nonlinear behaviour of cantilevered carbon nanotube resonators based on a new nonlinear electrostatic load model

NASA Astrophysics Data System (ADS)

Farokhi, Hamed; Païdoussis, Michael P.; Misra, Arun K.

2018-04-01

The present study examines the nonlinear behaviour of a cantilevered carbon nanotube (CNT) resonator and its mass detection sensitivity, employing a new nonlinear electrostatic load model. More specifically, a 3D finite element model is developed in order to obtain the electrostatic load distribution on cantilevered CNT resonators. A new nonlinear electrostatic load model is then proposed accounting for the end effects due to finite length. Additionally, a new nonlinear size-dependent continuum model is developed for the cantilevered CNT resonator, employing the modified couple stress theory (to account for size-effects) together with the Kelvin-Voigt model (to account for nonlinear damping); the size-dependent model takes into account all sources of nonlinearity, i.e. geometrical and inertial nonlinearities as well as nonlinearities associated with damping, small-scale, and electrostatic load. The nonlinear equation of motion of the cantilevered CNT resonator is obtained based on the new models developed for the CNT resonator and the electrostatic load. The Galerkin method is then applied to the nonlinear equation of motion, resulting in a set of nonlinear ordinary differential equations, consisting of geometrical, inertial, electrical, damping, and size-dependent nonlinear terms. This high-dimensional nonlinear discretized model is solved numerically utilizing the pseudo-arclength continuation technique. The nonlinear static and dynamic responses of the system are examined for various cases, investigating the effect of DC and AC voltages, length-scale parameter, nonlinear damping, and electrostatic load. Moreover, the mass detection sensitivity of the system is examined for possible application of the CNT resonator as a nanosensor.

Electrostatic discharge test apparatus

NASA Technical Reports Server (NTRS)

Smith, William Conrad (Inventor)

1988-01-01

Electrostatic discharge properties of materials are quantitatively measured and ranked. Samples are rotated on a turntable beneath selectable, co-available electrostatic chargers, one being a corona charging element and the other a sample-engaging triboelectric charging element. Samples then pass under a voltage meter to measure the amount of residual charge on the samples. After charging is discontinued, measurements are continued to record the charge decay history over time.

Electrostatics in pharmaceutical aerosols for inhalation.

PubMed

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.

Modeling electrostatic and heterogeneity effects on proton dissociation from humic substances

USGS Publications Warehouse

Tipping, E.; Reddy, M.M.; Hurley, M.A.

1990-01-01

The apparent acid dissociation constant of humic substances increases by 2-4 pK units as ionization of the humic carboxylate groups proceeds. This change in apparent acid strength is due in part to the increase in electrical charge on the humic molecules as protons are shed. In addition, proton dissociation reactions are complicated because humic substances are heterogeneous with respect to proton dissociating groups and molecular size. In this paper, we use the Debye-Hu??ckel theory to describe the effects of electrostatic interactions on proton dissociation of humic substances. Simulations show that, for a size-heterogeneous system of molecules, the weight-average molecular weight is preferable to the number-average value for averaging the effects of electrostatic interactions. Analysis of published data on the proton dissociation of fulvic acid from the Suwannee River shows that the electrostatic interactions can be satisfactorily described by a hypothetical homogeneous compound having a molecular weight of 1000 (similar to the experimentally determined weight-average value). Titration data at three ionic strengths, for several fulvic acid concentrations, and in the pH range from 2.9 to 6.4 can be fitted with three adjustable parameters (pK??int values), given information on molecular size and carboxylate group content. ?? 1990 American Chemical Society.

Analytical theory of the space-charge region of lateral p-n junctions in nanofilms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gurugubelli, Vijaya Kumar, E-mail: vkgurugubelli@gmail.com; Karmalkar, Shreepad

There is growing interest in fabricating conventional semiconductor devices in a nanofilm which could be a 3D material with one reduced dimension (e.g., silicon-on-insulator (SOI) film), or single/multiple layers of a 2D material (e.g., MoS{sub 2}), or a two dimensional electron gas/two dimensional hole gas (2DEG/2DHG) layer. Lateral p-n junctions are essential parts of these devices. The space-charge region electrostatics in these nanofilm junctions is strongly affected by the surrounding field, unlike in bulk junctions. Current device physics of nanofilms lacks a simple analytical theory of this 2D electrostatics of lateral p-n junctions. We present such a theory taking intomore » account the film's thickness, permittivity, doping, interface charge, and possibly different ambient permittivities on film's either side. In analogy to the textbook theory of the 1D electrostatics of bulk p-n junctions, our theory yields simple formulas for the depletion width, the extent of space-charge tails beyond this width, and the screening length associated with the space-charge layer in nanofilm junctions; these formulas agree with numerical simulations and measurements. Our theory introduces an electrostatic thickness index to classify nanofilms into sheets, bulk and intermediate sized.« less

Electrostatic Explorations.

ERIC Educational Resources Information Center

Gallai, Ditta; Stewart, Gay

1998-01-01

Presents a set of hands-on electrostatics experiments in the form of an activity guide and worksheet through which students discover the different types of electric charge, Coulomb's Law, induced charge separation, and grounding. (DDR)

Gurtin-Murdoch surface elasticity theory revisit: An orbital-free density functional theory perspective

NASA Astrophysics Data System (ADS)

Zhu, Yichao; Wei, Yihai; Guo, Xu

2017-12-01

In the present paper, the well-established Gurtin-Murdoch theory of surface elasticity (Gurtin and Murdoch, 1975, 1978) is revisited from an orbital-free density functional theory (OFDFT) perspective by taking the boundary layer into consideration. Our analysis indicates that firstly, the quantities introduced in the Gurtin-Murdoch theory of surface elasticity can all find their explicit expressions in the derived OFDFT-based theoretical model. Secondly, the derived expression for surface energy density captures a competition between the surface normal derivatives of the electron density and the electrostatic potential, which well rationalises the onset of signed elastic constants that are observed both experimentally and computationally. Thirdly, the established model naturally yields an inversely linear relationship between the materials surface stiffness and its size, which conforms to relevant findings in literature. Since the proposed OFDFT-based model is established under arbitrarily imposed boundary condition of electron density, electrostatic potential and external load, it also has the potential of being used to investigate the electro-mechanical behaviour of nanoscale materials manifesting surface effect.

Electrostatic effects on hyaluronic acid configuration

NASA Astrophysics Data System (ADS)

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.

Power matching between plasma generation and electrostatic acceleration in helicon electrostatic thruster

NASA Astrophysics Data System (ADS)

Ichihara, D.; Nakagawa, Y.; Uchigashima, A.; Iwakawa, A.; Sasoh, A.; Yamazaki, T.

2017-10-01

The effects of a radio-frequency (RF) power on the ion generation and electrostatic acceleration in a helicon electrostatic thruster were investigated with a constant discharge voltage of 300 V using argon as the working gas at a flow rate either of 0.5 Aeq (Ampere equivalent) or 1.0 Aeq. A RF power that was even smaller than a direct-current (DC) discharge power enhanced the ionization of the working gas, thereby both the ion beam current and energy were increased. However, an excessively high RF power input resulted in their saturation, leading to an unfavorable increase in an ionization cost with doubly charged ion production being accompanied. From the tradeoff between the ion production by the RF power and the electrostatic acceleration made by the direct current discharge power, the thrust efficiency has a maximum value at an optimal RF to DC discharge power ratio of 0.6 - 1.0.

Electrostatics in Stueckelberg-Horwitz electrodynamics

NASA Astrophysics Data System (ADS)

Land, Martin

2013-04-01

In this paper, we study fundamental aspects of electrostatics as a special case in Stueckelberg-Horwitz electromagnetic theory. In this theory, spacetime events xμ(τ) evolve in an unconstrained 8-dimensional phase space, interacting through five τ-dependent gauge fields induced by the current densities associated with their evolutions. The chronological time τ was introduced as an independent evolution parameter in order to free the laboratory clock x0 to evolve alternately 'forward' and 'backward' in time according to the sign of the energy, thus providing a classical implementation of the Feynman-Stueckelberg interpretation of pair creation/annihilation. The resulting theory differs in its underlying mechanics from conventional electromagnetism, but coincides with Maxwell theory in an equilibrium limit. After a brief review of Stueckelberg-Horwitz electrodynamics, we obtain the field produced by an event in uniform motion and verify that it satisfies the field equations. We study this field in the rest frame of the event, where it depends explicitly on coordinate time x0 and the parameter τ, as well as spatial distance R. Calculating with this generalized Coulomb field, we demonstrate how Gauss's theorem and Stoke's theorem apply in 4D spacetime, and obtain the fields associated with a charged line and a charged sheet. Finally, we use the field of the charged sheet to study a static event in the vicinity of a potential barrier. In all of these cases, we observe a small transfer of mass from the field to the particle. It is seen that for an event in the field of an oppositely charged sheet of sufficient density, the event can reverse time direction, providing a specific model for pair phenomena.

PREFACE: Electrostatics 2015

NASA Astrophysics Data System (ADS)

Matthews, James

2015-10-01

Electrostatics 2015, supported by the Institute of Physics, was held in the Sir James Matthews building at Southampton Solent University, UK between 12th and 16th April 2015. Southampton is a historic city on the South Coast of England with a strong military and maritime history. Southampton is home to two Universities: Solent University, which hosted the conference, and the University of Southampton, where much work is undertaken related to electrostatics. 37 oral and 44 poster presentations were accepted for the conference, and 60 papers were submitted and accepted for the proceedings. The Bill Bright Memorial Lecture was delivered this year by Professor Mark Horenstein from Boston University who was, until recently, Editor-in-Chief of the Journal of Electrostatics. He spoke on The contribution of surface potential to diverse problems in electrostatics and his thorough knowledge of the subject of electrostatics was evident in the presentation. The first session was chaired by the Conference Chair, Dr Keith Davies, whose experience in the field showed through his frequent contributions to the discussions throughout the conference. Hazards and Electrostatic Discharge have formed a strong core to Electrostatics conferences for many years, and this conference contained sessions on both Hazards and on ESD, including an invited talk from Dr Jeremy Smallwood on ESD in Industry - Present and Future. Another strong theme to emerge from this year's programme was Non-Thermal Plasmas, which was covered in two sessions. There were two invited talks on this subject: Professor Masaaki Okubo gave a talk on Development of super-clean diesel engine and combustor using nonthermal plasma hybrid after treatment and Dr David Go presented a talk on Atmospheric-pressure ionization processes: New approaches and applications for plasmas in contact with liquids. A new innovation to the conference this year was the opportunity for conference sponsors to present to the delegates a technical

Electrostatic discharge test apparatus

NASA Technical Reports Server (NTRS)

Smith, William C. (Inventor)

1989-01-01

Electrostatic discharge properties of materials are quantitatively measured and ranked. Samples (20) are rotated on a turntable (15) beneath selectable, co-available electrostatic chargers (30/40), one being a corona charging element (30) and the other a sample-engaging triboelectric charging element (40). They then pass under a voltage meter (25) to measure the amount of residual charge on the samples (20). After charging is discontinued, measurements are continued to record the charge decay history over time.

Electrostatic attraction between overall neutral surfaces.

PubMed

Adar, Ram M; Andelman, David; Diamant, Haim

2016-08-01

Two overall neutral surfaces with positively and negatively charged domains ("patches") have been shown in recent experiments to exhibit long-range attraction when immersed in an ionic solution. Motivated by the experiments, we calculate analytically the osmotic pressure between such surfaces within the Poisson-Boltzmann framework, using a variational principle for the surface-averaged free energy. The electrostatic potential, calculated beyond the linear Debye-Hückel theory, yields an overall attraction at large intersurface separations, over a wide range of the system's controlled length scales. In particular, the attraction is stronger and occurs at smaller separations for surface patches of larger size and charge density. In this large patch limit, we find that the attraction-repulsion crossover separation is inversely proportional to the square of the patch-charge density and to the Debye screening length.

Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media.

PubMed

Ma, Manman; Xu, Zhenli

2014-12-28

Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

Measurements of electrostatic double layer potentials with atomic force microscopy

NASA Astrophysics Data System (ADS)

Giamberardino, Jason

The aim of this thesis is to provide a thorough description of the development of theory and experiment pertaining to the electrostatic double layer (EDL) in aqueous electrolytic systems. The EDL is an important physical element of many systems and its behavior has been of interest to scientists for many decades. Because many areas of science and engineering move to test, build, and understand systems at smaller and smaller scales, this work focuses on nanoscopic experimental investigations of the EDL. In that vein, atomic force microscopy (AFM) will be introduced and discussed as a tool for making high spatial resolution measurements of the solid-liquid interface, culminating in a description of the development of a method for completely characterizing the EDL. This thesis first explores, in a semi-historical fashion, the development of the various models and theories that are used to describe the electrostatic double layer. Later, various experimental techniques and ideas are addressed as ways to make measurements of interesting characteristics of the EDL. Finally, a newly developed approach to measuring the EDL system with AFM is introduced. This approach relies on both implementation of existing theoretical models with slight modifications as well as a unique experimental measurement scheme. The model proposed clears up previous ambiguities in definitions of various parameters pertaining to measurements of the EDL and also can be used to fully characterize the system in a way not yet demonstrated.

Mathematical analysis of the boundary-integral based electrostatics estimation approximation for molecular solvation: exact results for spherical inclusions.

PubMed

Bardhan, Jaydeep P; Knepley, Matthew G

2011-09-28

We analyze the mathematically rigorous BIBEE (boundary-integral based electrostatics estimation) approximation of the mixed-dielectric continuum model of molecular electrostatics, using the analytically solvable case of a spherical solute containing an arbitrary charge distribution. Our analysis, which builds on Kirkwood's solution using spherical harmonics, clarifies important aspects of the approximation and its relationship to generalized Born models. First, our results suggest a new perspective for analyzing fast electrostatic models: the separation of variables between material properties (the dielectric constants) and geometry (the solute dielectric boundary and charge distribution). Second, we find that the eigenfunctions of the reaction-potential operator are exactly preserved in the BIBEE model for the sphere, which supports the use of this approximation for analyzing charge-charge interactions in molecular binding. Third, a comparison of BIBEE to the recent GBε theory suggests a modified BIBEE model capable of predicting electrostatic solvation free energies to within 4% of a full numerical Poisson calculation. This modified model leads to a projection-framework understanding of BIBEE and suggests opportunities for future improvements. © 2011 American Institute of Physics

Determination of Ion Atmosphere Effects on the Nucleic Acid Electrostatic Potential and Ligand Association Using AH+·C Wobble Formation in Double-Stranded DNA

PubMed Central

2017-01-01

The high charge density of nucleic acids and resulting ion atmosphere profoundly influence the conformational landscape of RNA and DNA and their association with small molecules and proteins. Electrostatic theories have been applied to quantitatively model the electrostatic potential surrounding nucleic acids and the effects of the surrounding ion atmosphere, but experimental measures of the potential and tests of these models have often been complicated by conformational changes and multisite binding equilibria, among other factors. We sought a simple system to further test the basic predictions from electrostatics theory and to measure the energetic consequences of the nucleic acid electrostatic field. We turned to a DNA system developed by Bevilacqua and co-workers that involves a proton as a ligand whose binding is accompanied by formation of an internal AH+·C wobble pair [Siegfried, N. A., et al. Biochemistry, 2010, 49, 3225]. Consistent with predictions from polyelectrolyte models, we observed logarithmic dependences of proton affinity versus salt concentration of −0.96 ± 0.03 and −0.52 ± 0.01 with monovalent and divalent cations, respectively, and these results help clarify prior results that appeared to conflict with these fundamental models. Strikingly, quantitation of the ion atmosphere content indicates that divalent cations are preferentially lost over monovalent cations upon A·C protonation, providing experimental indication of the preferential localization of more highly charged cations to the inner shell of the ion atmosphere. The internal AH+·C wobble system further allowed us to parse energetic contributions and extract estimates for the electrostatic potential at the position of protonation. The results give a potential near the DNA surface at 20 mM Mg2+ that is much less substantial than at 20 mM K+ (−120 mV vs −210 mV). These values and difference are similar to predictions from theory, and the potential is substantially reduced at

Understanding and Manipulating Electrostatic Fields at the Protein-Protein Interface Using Vibrational Spectroscopy and Continuum Electrostatics Calculations.

PubMed

Ritchie, Andrew W; Webb, Lauren J

2015-11-05

Biological function emerges in large part from the interactions of biomacromolecules in the complex and dynamic environment of the living cell. For this reason, macromolecular interactions in biological systems are now a major focus of interest throughout the biochemical and biophysical communities. The affinity and specificity of macromolecular interactions are the result of both structural and electrostatic factors. Significant advances have been made in characterizing structural features of stable protein-protein interfaces through the techniques of modern structural biology, but much less is understood about how electrostatic factors promote and stabilize specific functional macromolecular interactions over all possible choices presented to a given molecule in a crowded environment. In this Feature Article, we describe how vibrational Stark effect (VSE) spectroscopy is being applied to measure electrostatic fields at protein-protein interfaces, focusing on measurements of guanosine triphosphate (GTP)-binding proteins of the Ras superfamily binding with structurally related but functionally distinct downstream effector proteins. In VSE spectroscopy, spectral shifts of a probe oscillator's energy are related directly to that probe's local electrostatic environment. By performing this experiment repeatedly throughout a protein-protein interface, an experimental map of measured electrostatic fields generated at that interface is determined. These data can be used to rationalize selective binding of similarly structured proteins in both in vitro and in vivo environments. Furthermore, these data can be used to compare to computational predictions of electrostatic fields to explore the level of simulation detail that is necessary to accurately predict our experimental findings.

Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent

NASA Astrophysics Data System (ADS)

Wu, Johnny; Zhen, Xia; Shen, Hujun; Li, Guohui; Ren, Pengyu

2011-10-01

A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is described by the Generalized Kirkwood theory. The CG model is calibrated using the results of all-atom simulations of model compounds in solution. Instead of matching the overall effective forces produced by atomic models, the fundamental intermolecular forces such as electrostatic, repulsion-dispersion, and solvation are represented explicitly at a CG level. We demonstrate that the CG alanine dipeptide model is able to reproduce quantitatively the conformational energy of all-atom force fields in both gas and solution phases, including the electrostatic and solvation components. Replica exchange molecular dynamics and microsecond dynamic simulations of polyalanine of 5 and 12 residues reveal that the CG polyalanines fold into "alpha helix" and "beta sheet" structures. The 5-residue polyalanine displays a substantial increase in the "beta strand" fraction relative to the 12-residue polyalanine. The detailed conformational distribution is compared with those reported from recent all-atom simulations and experiments. The results suggest that the new coarse-graining approach presented in this study has the potential to offer both accuracy and efficiency for biomolecular modeling.

Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent

PubMed Central

Wu, Johnny; Zhen, Xia; Shen, Hujun; Li, Guohui; Ren, Pengyu

2011-01-01

A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is described by the Generalized Kirkwood theory. The CG model is calibrated using the results of all-atom simulations of model compounds in solution. Instead of matching the overall effective forces produced by atomic models, the fundamental intermolecular forces such as electrostatic, repulsion-dispersion, and solvation are represented explicitly at a CG level. We demonstrate that the CG alanine dipeptide model is able to reproduce quantitatively the conformational energy of all-atom force fields in both gas and solution phases, including the electrostatic and solvation components. Replica exchange molecular dynamics and microsecond dynamic simulations of polyalanine of 5 and 12 residues reveal that the CG polyalanines fold into “alpha helix” and “beta sheet” structures. The 5-residue polyalanine displays a substantial increase in the “beta strand” fraction relative to the 12-residue polyalanine. The detailed conformational distribution is compared with those reported from recent all-atom simulations and experiments. The results suggest that the new coarse-graining approach presented in this study has the potential to offer both accuracy and efficiency for biomolecular modeling. PMID:22029338

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

PubMed

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.

Dynamics of Oscillating and Rotating Liquid Drop using Electrostatic Levitator

NASA Astrophysics Data System (ADS)

Matsumoto, Satoshi; Awazu, Shigeru; Abe, Yutaka; Watanabe, Tadashi; Nishinari, Katsuhiro; Yoda, Shinichi

2006-11-01

In order to understand the nonlinear behavior of liquid drop with oscillatory and/or rotational motions, an experimental study was performed. The electrostatic levitator was employed to achieve liquid drop formation on ground. A liquid drop with about 3 mm in diameter was levitated. The oscillation of mode n=2 along the vertical axis was induced by an external electrostatic force. The oscillatory motions were observed to clarify the nonlinearities of oscillatory behavior. A relationship between amplitude and frequency shift was made clear and the effect of frequency shift on amplitude agreed well with the theory. The frequency shift became larger with increasing the amplitude of oscillation. To confirm the nonlinear effects, we modeled the oscillation by employing the mass-spring-damper system included the nonlinear term. The result indicates that the large-amplitude oscillation includes the effect of nonlinear oscillation. The sound pressure was imposed to rotate the liquid drop along a vertical axis by using a pair of acoustic transducers. The drop transited to the two lobed shape due to centrifugal force when nondimensional angular velocity exceeded to 0.58.

Electrostatic thin film chemical and biological sensor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prelas, Mark A.; Ghosh, Tushar K.; Tompson, Jr., Robert V.

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 includesmore » 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.« less

Electrostatics Control Actin Filament Nucleation and Elongation Kinetics*

PubMed Central

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

Electrostatic particle trap for ion beam sputter deposition

DOEpatents

Vernon, Stephen P.; Burkhart, Scott C.

2002-01-01

A method and apparatus for the interception and trapping of or reflection of charged particulate matter generated in ion beam sputter deposition. The apparatus involves an electrostatic particle trap which generates electrostatic fields in the vicinity of the substrate on which target material is being deposited. The electrostatic particle trap consists of an array of electrode surfaces, each maintained at an electrostatic potential, and with their surfaces parallel or perpendicular to the surface of the substrate. The method involves interception and trapping of or reflection of charged particles achieved by generating electrostatic fields in the vicinity of the substrate, and configuring the fields to force the charged particulate material away from the substrate. The electrostatic charged particle trap enables prevention of charged particles from being deposited on the substrate thereby enabling the deposition of extremely low defect density films, such as required for reflective masks of an extreme ultraviolet lithography (EUVL) system.

On the Electrostatic Born-Infeld Equation with Extended Charges

NASA Astrophysics Data System (ADS)

Bonheure, Denis; d'Avenia, Pietro; Pomponio, Alessio

2016-09-01

In this paper, we deal with the electrostatic Born-Infeld equation -operatorname{div} (nablaφ/√{1-|nabla φ|^2} )= ρ quad{in} {R}^N, lim_{|x|to ∞} φ(x)= 0,. quad quad quad quad ({{BI}}) where {ρ} is an assigned extended charge density. We are interested in the existence and uniqueness of the potential {φ} and finiteness of the energy of the electrostatic field {-nabla φ}. We first relax the problem and treat it with the direct method of the Calculus of Variations for a broad class of charge densities. Assuming {ρ} is radially distributed, we recover the weak formulation of {({{BI}})} and the regularity of the solution of the Poisson equation (under the same smoothness assumptions). In the case of a locally bounded charge, we also recover the weak formulation without assuming any symmetry. The solution is even classical if {ρ} is smooth. Then we analyze the case where the density {ρ} is a superposition of point charges and discuss the results in (Kiessling, Commun Math Phys 314:509-523, 2012). Other models are discussed, as for instance a system arising from the coupling of the nonlinear Klein-Gordon equation with the Born-Infeld theory.

Electrostatic correlations at the Stern layer: Physics or chemistry?

NASA Astrophysics Data System (ADS)

Travesset, A.; Vangaveti, S.

2009-11-01

We introduce a minimal free energy describing the interaction of charged groups and counterions including both classical electrostatic and specific interactions. The predictions of the model are compared against the standard model for describing ions next to charged interfaces, consisting of Poisson-Boltzmann theory with additional constants describing ion binding, which are specific to the counterion and the interfacial charge ("chemical binding"). It is shown that the "chemical" model can be appropriately described by an underlying "physical" model over several decades in concentration, but the extracted binding constants are not uniquely defined, as they differ depending on the particular observable quantity being studied. It is also shown that electrostatic correlations for divalent (or higher valence) ions enhance the surface charge by increasing deprotonation, an effect not properly accounted within chemical models. The charged phospholipid phosphatidylserine is analyzed as a concrete example with good agreement with experimental results. We conclude with a detailed discussion on the limitations of chemical or physical models for describing the rich phenomenology of charged interfaces in aqueous media and its relevance to different systems with a particular emphasis on phospholipids.

Electrostatic stabilization in sperm whale and harbor seal myoglobins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gurd, F.R.N.; Friend, S.H.; Rothgeb, T.M.

1980-10-01

The compact, largely helical structure of sperm whale and harbor seal myoglobins undergoes an abrupt one-step transition between pH 4.5 and 3.5 as monitored by changes in either the heme Soret band absorbance or circular dichroism probes of secondary structure, for which a modified Tanford-Kirkwood theory provides identification of certain dominant electrostatic interactions responsible for the loss of stability. A similar treatment permits identification of the electrostatic interactions primarily responsible for a process in which the anchoring of the A helix to other parts of the molecule is weakened. This process is detected with both myoglobins, in a pH rangemore » approx. 1 unit higher than the onset of the overall unfolding process, through changes in the circular dichroic spectra near 295 nm which correspond to the L/sub a/O-O band of the only two tryptophan residues in these proteins, residues 7 and 14. In each case protonation of certain sites in neighboring parts of the molecule can be identified as producing destabilizing interactions with components of the A helix, particularly with lysine 16.« less

Electrostatic effects in unfolded staphylococcal nuclease

PubMed Central

Fitzkee, Nicholas C.; García-Moreno E, Bertrand

2008-01-01

Structure-based calculations of pK a values and electrostatic free energies of proteins assume that electrostatic effects in the unfolded state are negligible. In light of experimental evidence showing that this assumption is invalid for many proteins, and with increasing awareness that the unfolded state is more structured and compact than previously thought, a detailed examination of electrostatic effects in unfolded proteins is warranted. Here we address this issue with structure-based calculations of electrostatic interactions in unfolded staphylococcal nuclease. The approach involves the generation of ensembles of structures representing the unfolded state, and calculation of Coulomb energies to Boltzmann weight the unfolded state ensembles. Four different structural models of the unfolded state were tested. Experimental proton binding data measured with a variant of nuclease that is unfolded under native conditions were used to establish the validity of the calculations. These calculations suggest that weak Coulomb interactions are an unavoidable property of unfolded proteins. At neutral pH, the interactions are too weak to organize the unfolded state; however, at extreme pH values, where the protein has a significant net charge, the combined action of a large number of weak repulsive interactions can lead to the expansion of the unfolded state. The calculated pK a values of ionizable groups in the unfolded state are similar but not identical to the values in small peptides in water. These studies suggest that the accuracy of structure-based calculations of electrostatic contributions to stability cannot be improved unless electrostatic effects in the unfolded state are calculated explicitly. PMID:18227429

The establishment and application of direct coupled electrostatic-structural field model in electrostatically controlled deployable membrane antenna

NASA Astrophysics Data System (ADS)

Gu, Yongzhen; Duan, Baoyan; Du, Jingli

2018-05-01

The electrostatically controlled deployable membrane antenna (ECDMA) is a promising space structure due to its low weight, large aperture and high precision characteristics. However, it is an extreme challenge to describe the coupled field between electrostatic and membrane structure accurately. A direct coupled method is applied to solve the coupled problem in this paper. Firstly, the membrane structure and electrostatic field are uniformly described by energy, considering the coupled problem is an energy conservation phenomenon. Then the direct coupled electrostatic-structural field governing equilibrium equations are obtained by energy variation approach. Numerical results show that the direct coupled method improves the computing efficiency by 36% compared with the traditional indirect coupled method with the same level accuracy. Finally, the prototype has been manufactured and tested and the ECDMA finite element simulations show good agreement with the experiment results as the maximum surface error difference is 6%.

Quantitative nanoscale electrostatics of viruses

NASA Astrophysics Data System (ADS)

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.

2015-10-01

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.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

Electrostatic Debye layer formed at a plasma-liquid interface

NASA Astrophysics Data System (ADS)

Rumbach, Paul; Clarke, Jean Pierre; Go, David B.

2017-05-01

We construct an analytic model for the electrostatic Debye layer formed at a plasma-liquid interface by combining the Gouy-Chapman theory for the liquid with a simple parabolic band model for the plasma sheath. The model predicts a nonlinear scaling between the plasma current density and the solution ionic strength, and we confirmed this behavior with measurements using a liquid-anode plasma. Plots of the measured current density as a function of ionic strength collapse the data and curve fits yield a plasma electron density of ˜1019m-3 and an electric field of ˜104V /m on the liquid side of the interface. Because our theory is based firmly on fundamental physics, we believe it can be widely applied to many emerging technologies involving the interaction of low-temperature, nonequilibrium plasma with aqueous media, including plasma medicine and various plasma chemical synthesis techniques.

Conservation and Role of Electrostatics in Thymidylate Synthase.

PubMed

Garg, Divita; Skouloubris, Stephane; Briffotaux, Julien; Myllykallio, Hannu; Wade, Rebecca C

2015-11-27

Conservation of function across families of orthologous enzymes is generally accompanied by conservation of their active site electrostatic potentials. To study the electrostatic conservation in the highly conserved essential enzyme, thymidylate synthase (TS), we conducted a systematic species-based comparison of the electrostatic potential in the vicinity of its active site. Whereas the electrostatics of the active site of TS are generally well conserved, the TSs from minimal organisms do not conform to the overall trend. Since the genomes of minimal organisms have a high thymidine content compared to other organisms, the observation of non-conserved electrostatics was surprising. Analysis of the symbiotic relationship between minimal organisms and their hosts, and the genetic completeness of the thymidine synthesis pathway suggested that TS from the minimal organism Wigglesworthia glossinidia (W.g.b.) must be active. Four residues in the vicinity of the active site of Escherichia coli TS were mutated individually and simultaneously to mimic the electrostatics of W.g.b TS. The measured activities of the E. coli TS mutants imply that conservation of electrostatics in the region of the active site is important for the activity of TS, and suggest that the W.g.b. TS has the minimal activity necessary to support replication of its reduced genome.

Electrostatics with Computer-Interfaced Charge Sensors

ERIC Educational Resources Information Center

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,…

Electrostatic Plasma Accelerator (EPA)

NASA Technical Reports Server (NTRS)

Brophy, John R.; Aston, Graeme

1989-01-01

The Electrostatic Plasma Accelerator (EPA) is a thruster concept which promises specific impulse levels between low power arcjets and those of the ion engine while retaining the relative simplicity of the arcjet. The EPA thruster produces thrust through the electrostatic acceleration of a moderately dense plasma. No accelerating electrodes are used and the specific impulse is a direct function of the applied discharge voltage and the propellant atomic mass. The goal of the present program is to demonstrate feasibility of the EPA thruster concept through experimental and theoretical investigations of the EPA acceleration mechanism and discharge chamber performance. Experimental investigations will include operating the test bed ion (TBI) engine as an EPA thruster and parametrically varying the thruster geometry and operating conditions to quantify the electrostatic plasma acceleration effect. The theoretical investigations will include the development of a discharge chamber model which describes the relationships between the engine size, plasma properties, and overall performance. For the EPA thruster to be a viable propulsion concept, overall thruster efficiencies approaching 30% with specific impulses approaching 1000 s must be achieved.

Nonlinear electrostatic solitary waves in electron-positron plasmas

NASA Astrophysics Data System (ADS)

Lazarus, I. J.; Bharuthram, R.; Moolla, S.; Singh, S. V.; Lakhina, G. S.

2016-02-01

The generation of nonlinear electrostatic solitary waves (ESWs) is explored in a magnetized four component two-temperature electron-positron plasma. Fluid theory is used to derive a set of nonlinear equations for the ESWs, which propagate obliquely to an external magnetic field. The electric field structures are examined for various plasma parameters and are shown to yield sinusoidal, sawtooth and bipolar waveforms. It is found that an increase in the densities of the electrons and positrons strengthen the nonlinearity while the periodicity and nonlinearity of the wave increases as the cool-to-hot temperature ratio increases. Our results could be useful in understanding nonlinear propagation of waves in astrophysical environments and related laboratory experiments.

Material identification based on electrostatic sensing technology

NASA Astrophysics Data System (ADS)

Liu, Kai; Chen, Xi; Li, Jingnan

2018-04-01

When the robot travels on the surface of different media, the uncertainty of the medium will seriously affect the autonomous action of the robot. In this paper, the distribution characteristics of multiple electrostatic charges on the surface of materials are detected, so as to improve the accuracy of the existing electrostatic signal material identification methods, which is of great significance to help the robot optimize the control algorithm. In this paper, based on the electrostatic signal material identification method proposed by predecessors, the multi-channel detection circuit is used to obtain the electrostatic charge distribution at different positions of the material surface, the weights are introduced into the eigenvalue matrix, and the weight distribution is optimized by the evolutionary algorithm, which makes the eigenvalue matrix more accurately reflect the surface charge distribution characteristics of the material. The matrix is used as the input of the k-Nearest Neighbor (kNN)classification algorithm to classify the dielectric materials. The experimental results show that the proposed method can significantly improve the recognition rate of the existing electrostatic signal material recognition methods.

Do surfaces of positive electrostatic potential on different halogen derivatives in molecules attract? like attracting like!

PubMed

Varadwaj, Arpita; Varadwaj, Pradeep R; Yamashita, Koichi

2018-03-15

Coulomb's law states that like charges repel, and unlike charges attract. However, it has recently been theoretically revealed that two similarly charged conducting spheres will almost always attract each other when both are in close proximity. Using multiscale first principles calculations, we illustrate practical examples of several intermolecular complexes that are formed by the consequences of attraction between positive atomic sites of similar or dissimilar electrostatic surface potential on interacting molecules. The results of the quantum theory of atoms in molecules and symmetry adapted perturbation theory support the attraction between the positive sites, characterizing the F•••X (X = F, Cl, Br) intermolecular interactions in a series of 20 binary complexes as closed-shell type, although the molecular electrostatic surface potential approach does not (a failure!). Dispersion that has an r -6 dependence, where r is the equilibrium distance of separation, is found to be the sole driving force pushing the two positive sites to attract. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Electrostatic design and beam transport for a folded tandem electrostatic quadrupole accelerator facility for accelerator-based boron neutron capture therapy.

PubMed

Vento, V Thatar; Bergueiro, J; Cartelli, D; Valda, A A; Kreiner, A J

2011-12-01

Within the frame of an ongoing project to develop a folded Tandem-Electrostatic-Quadrupole (TESQ) accelerator facility for Accelerator-Based Boron Neutron Capture Therapy (AB-BNCT), we discuss here the electrostatic design of the machine, including the accelerator tubes with electrostatic quadrupoles and the simulations for the transport and acceleration of a high intensity beam. Copyright © 2011 Elsevier Ltd. All rights reserved.

Defining protein electrostatic recognition processes

NASA Astrophysics Data System (ADS)

Getzoff, Elizabeth D.; Roberts, Victoria A.

The objective is to elucidate the nature of electrostatic forces controlling protein recognition processes by using a tightly coupled computational and interactive computer graphics approach. The TURNIP program was developed to determine the most favorable precollision orientations for two molecules by systematic search of all orientations and evaluation of the resulting electrostatic interactions. TURNIP was applied to the transient interaction between two electron transfer metalloproteins, plastocyanin and cytochrome c. The results suggest that the productive electron-transfer complex involves interaction of the positive region of cytochrome c with the negative patch of plastocyanin, consistent with experimental data. Application of TURNIP to the formation of the stable complex between the HyHEL-5 antibody and its protein antigen lysozyme showed that long-distance electrostatic forces guide lysozyme toward the HyHEL-5 binding site, but do not fine tune its orientation. Determination of docked antigen/antibody complexes requires including steric as well as electrostatic interactions, as was done for the U10 mutant of the anti-phosphorylcholine antibody S107. The graphics program Flex, a convenient desktop workstation program for visualizing molecular dynamics and normal mode motions, was enhanced. Flex now has a user interface and was rewritten to use standard graphics libraries, so as to run on most desktop workstations.

On the Impact of Electrostatic Correlations on the Double-Layer Polarization of a Spherical Particle in an Alternating Current Field.

PubMed

Alidoosti, Elaheh; Zhao, Hui

2018-05-15

At concentrated electrolytes, the ion-ion electrostatic correlation effect is considered an important factor in electrokinetics. In this paper, we compute, in theory and simulation, the dipole moment for a spherical particle (charged, dielectric) under the action of an alternating electric field using the modified continuum Poisson-Nernst-Planck (PNP) model by Bazant et al. [ Double Layer in Ionic Liquids: Overscreening Versus Crowding . Phys. Rev. Lett. 2011 , 106 , 046102 ] We investigate the dependency of the dipole moment in terms of frequency and its variation with such quantities like ζ-potential, electrostatic correlation length, and double-layer thickness. With thin electric double layers, we develop simple models through performing an asymptotic analysis of the modified PNP model. We also present numerical results for an arbitrary Debye screening length and electrostatic correlation length. From the results, we find a complicated impact of electrostatic correlations on the dipole moment. For instance, with increasing the electrostatic correlation length, the dipole moment decreases and reaches a minimum and then it goes up. This is because of initially decreasing of surface conduction and finally increasing due to the impact of ion-ion electrostatic correlations on ion's convection and migration. Also, we show that in contrast to the standard PNP model, the modified PNP model can qualitatively explain the data from the experimental results in multivalent electrolytes.

Investigation of Electrostatic Accelerometer in HUST for Space Science Missions

NASA Astrophysics Data System (ADS)

Bai, Yanzheng; Hu, Ming; Li, Gui; Liu, Li; Qu, Shaobo; Wu, Shuchao; Zhou, Zebing

2014-05-01

High-precision electrostatic accelerometers are significant payload in CHAMP, GRACE and GOCE gravity missions to measure the non-gravitational forces. In our group, space electrostatic accelerometer and inertial sensor based on the capacitive sensors and electrostatic control technique has been investigated for space science research in China such as testing of equivalence principle (TEPO), searching non-Newtonian force in micrometer range, satellite Earth's field recovery and so on. In our group, a capacitive position sensor with a resolution of 10-7pF/Hz1/2 and the μV/Hz1/2 level electrostatic actuator are developed. The fiber torsion pendulum facility is adopt to measure the parameters of the electrostatic controlled inertial sensor such as the resolution, and the electrostatic stiffness, the cross couple between different DOFs. Meanwhile, high voltage suspension and free fall methods are applied to verify the function of electrostatic accelerometer. Last, the engineering model of electrostatic accelerometer has been developed and tested successfully in space and preliminary results are present.

Reducing detrimental electrostatic effects in Casimir-force measurements and Casimir-force-based microdevices

NASA Astrophysics Data System (ADS)

Xu, Jun; Klimchitskaya, G. L.; Mostepanenko, V. M.; Mohideen, U.

2018-03-01

It is well known that residual electrostatic forces create significant difficulties in precise measurements of the Casimir force and the wide use of Casimir-operated microdevices. We experimentally demonstrate that, with the help of Ar-ion cleaning of the surfaces, it is possible to make electrostatic effects negligibly small compared to the Casimir interaction. Our experimental setup consists of a dynamic atomic force microscope supplemented with an Ar-ion gun and argon reservoir. The residual potential difference between the Au-coated surfaces of a sphere and those of a plate was measured both before and after in situ Ar-ion cleaning. It is shown that this cleaning decreases the magnitude of the residual potential by up to an order of magnitude and makes it almost independent of the separation. The gradient of the Casimir force was measured using ordinary samples subjected to Ar-ion cleaning. The obtained results are shown to be in good agreement both with previous precision measurements using specially selected samples and with theoretical predictions of the Lifshitz theory. The conclusion is made that the suggested method of in situ Ar-ion cleaning is effective in reducing the electrostatic effects and therefore is a great resource for experiments on measuring the Casimir interaction and for Casimir-operated microdevices.

Controlling the electronic properties of van der Waals heterostructures by applying electrostatic design

NASA Astrophysics Data System (ADS)

Winkler, Christian; Harivyasi, Shashank S.; Zojer, Egbert

2018-07-01

Van der Waals heterostructures based on the heteroassembly of 2D materials represent a recently developed class of materials with promising properties especially for optoelectronic applications. The alignment of electronic energy bands between consecutive layers of these heterostructures crucially determines their functionality. In the present paper, relying on dispersion-corrected density-functional theory calculations, we present electrostatic design as a promising tool for manipulating this band alignment. The latter is achieved by inserting a layer of aligned polar molecules between consecutive transition-metal dichalcogenide (TMD) sheets. As a consequence, collective electrostatic effects induce a shift of as much as 0.3 eV in the band edges of successive TMD layers. Building on that, the proposed approach can be used to design electronically more complex systems, like quantum cascades or quantum wells, or to change the type of band lineup between type II and type I.

Electrostatic Effects in Filamentous Protein Aggregation

PubMed Central

Buell, Alexander K.; Hung, Peter; Salvatella, Xavier; Welland, Mark E.; Dobson, Christopher M.; Knowles, Tuomas P.J.

2013-01-01

Electrostatic forces play a key role in mediating interactions between proteins. However, gaining quantitative insights into the complex effects of electrostatics on protein behavior has proved challenging, due to the wide palette of scenarios through which both cations and anions can interact with polypeptide molecules in a specific manner or can result in screening in solution. In this article, we have used a variety of biophysical methods to probe the steady-state kinetics of fibrillar protein self-assembly in a highly quantitative manner to detect how it is modulated by changes in solution ionic strength. Due to the exponential modulation of the reaction rate by electrostatic forces, this reaction represents an exquisitely sensitive probe of these effects in protein-protein interactions. Our approach, which involves a combination of experimental kinetic measurements and theoretical analysis, reveals a hierarchy of electrostatic effects that control protein aggregation. Furthermore, our results provide a highly sensitive method for the estimation of the magnitude of binding of a variety of ions to protein molecules. PMID:23473495

Electrostatic coating technologies for food processing.

PubMed

Barringer, Sheryl A; Sumonsiri, Nutsuda

2015-01-01

The application of electrostatics in both powder and liquid coating can improve the quality of food, such as its appearance, aroma, taste, and shelf life. Coatings can be found most commonly in the snack food industry, as well as in confectionery, bakery, meat and cheese processing. In electrostatic powder coating, the most important factors influencing coating quality are powder particle size, density, flowability, charge, and resistivity, as well as the surface properties and characteristics of the target. The most important factors during electrostatic liquid coating, also known as electrohydrodynamic coating, include applied voltage and electrical resistivity and viscosity of the liquid. A good understanding of these factors is needed for the design of optimal coating systems for food processing.

Electrostatic micromotor based on ferroelectric ceramics

NASA Astrophysics Data System (ADS)

Baginsky, I. L.; Kostsov, E. G.

2004-11-01

A new electrostatic micromotor is described that utilizes the electromechanical energy conversion principle earlier described by the authors. The electromechanical energy conversion is based on reversible electrostatic rolling of thin metallic films (petals) on a ferroelectric surface. The motor's active media are layers of ferroelectric ceramics (about 100 µm in thickness). The characteristics of the electrostatic rolling of the petals on different ceramic surfaces are studied, as well as the dynamic characteristics of the micromotors. It is shown that the use of antiferroelectric material allows one to reach a specific energy capacitance comparable to that of the micromotors based on ferroelectric films and to achieve a specific power of 30-300 µW mm-2.

Voyager spacecraft electrostatic discharge testing

NASA Technical Reports Server (NTRS)

Whittlesey, A.; Inouye, G.

1980-01-01

The program of environmental testing undergone by the Voyager spacecraft in order to simulate the transient voltage effects of electrostatic discharges expected in the energetic plasma environment of Jupiter is reported. The testing consists of studies of the electrostatic discharge characteristics of spacecraft dielectrics in a vacuum-chamber-electron beam facility, brief piece part sensitivity tests on such items as a MOSFET multiplexer and the grounding of the thermal blanket, and assembly tests of the magnetometer boom and the science boom. In addition, testing of a complete spacecraft was performed using two arc sources to simulate long and short duration discharge sources for successive spacecraft shielding and grounding improvements. Due to the testing program, both Voyager 1 and Voyager 2 experienced tolerable electrostatic discharge-caused transient anomalies in science and engineering subsystems, however, a closer duplication of the spacecraft environment is necessary to predict and design actual spacecraft responses more accurately.

Electrostatic contribution to twist rigidity of DNA.

PubMed

Mohammad-Rafiee, Farshid; Golestanian, Ramin

2004-06-01

The electrostatic contribution to the twist rigidity of DNA is studied, and it is shown that the Coulomb self-energy of the double-helical sugar-phosphate backbone makes a considerable contribution-the electrostatic twist rigidity of DNA is found to be C(elec) approximately 5 nm, which makes up about 7% of its total twist rigidity ( C(DNA) approximately 75 nm). The electrostatic twist rigidity is found, however, to depend only weakly on the salt concentration, because of a competition between two different screening mechanisms: (1) Debye screening by the salt ions in the bulk, and (2) structural screening by the periodic charge distribution along the backbone of the helical polyelectrolyte. It is found that, depending on the parameters, the electrostatic contribution to the twist rigidity could stabilize or destabilize the structure of a helical polyelectrolyte.

Combined effect of moisture and electrostatic charges on powder flow

NASA Astrophysics Data System (ADS)

Rescaglio, Antonella; Schockmel, Julien; Vandewalle, Nicolas; Lumay, Geoffroy

2017-06-01

It is well known in industrial applications involving powders and granular materials that the relative air humidity and the presence of electrostatic charges influence drastically the material flowing properties. The relative air humidity induces the formation of capillary bridges and modify the grain surface conductivity. The presence of capillary bridges produces cohesive forces. On the other hand, the apparition of electrostatic charges due to the triboelectric effect at the contacts between the grains and at the contacts between the grains and the container produces electrostatic forces. Therefore, in many cases, the powder cohesiveness is the result of the interplay between capillary and electrostatic forces. Unfortunately, the triboelectric effect is still poorly understood, in particular inside a granular material. Moreover, reproducible electrostatic measurements are difficult to perform. We developed an experimental device to measures the ability of a powder to charge electrostatically during a flow in contact with a selected material. Both electrostatic and flow measurements have been performed in different hygrometric conditions. The correlation between the powder electrostatic properties, the hygrometry and the flowing behavior are analyzed.

Surface Electrostatics of Lipid Bilayers by EPR of a pH-Sensitive Spin-Labeled Lipid

PubMed Central

Voinov, Maxim A.; Rivera-Rivera, Izarys; Smirnov, Alex I.

2013-01-01

Many biophysical processes such as insertion of proteins into membranes and membrane fusion are governed by bilayer electrostatic potential. At the time of this writing, the arsenal of biophysical methods for such measurements is limited to a few techniques. Here we describe a, to our knowledge, new spin-probe electron paramagnetic resonance (EPR) approach for assessing the electrostatic surface potential of lipid bilayers that is based on a recently synthesized EPR probe (IMTSL-PTE) containing a reversibly ionizable nitroxide tag attached to the lipids’ polar headgroup. EPR spectra of the probe directly report on its ionization state and, therefore, on electrostatic potential through changes in nitroxide magnetic parameters and the degree of rotational averaging. Further, the lipid nature of the probe provides its full integration into lipid bilayers. Tethering the nitroxide moiety directly to the lipid polar headgroup defines the location of the measured potential with respect to the lipid bilayer interface. Electrostatic surface potentials measured by EPR of IMTSL-PTE show a remarkable (within ±2%) agreement with the Gouy-Chapman theory for anionic DMPG bilayers in fluid (48°C) phase at low electrolyte concentration (50 mM) and in gel (17°C) phase at 150-mM electrolyte concentration. This agreement begins to diminish for DMPG vesicles in gel phase (17°C) upon varying electrolyte concentration and fluid phase bilayers formed from DMPG/DMPC and POPG/POPC mixtures. Possible reasons for such deviations, as well as the proper choice of an electrostatically neutral reference interface, have been discussed. Described EPR method is expected to be fully applicable to more-complex models of cellular membranes. PMID:23332063

Magnetic and electrostatic confinement of plasma with tuning of electrostatic field

DOEpatents

Rostoker, Norman [Irvine, CA; Binderbauer, Michl [Irvine, CA; Qerushi, Artan [Irvine, CA; Tahsiri, Hooshang [Irvine, CA

2008-10-21

A system and method for containing plasma and forming a Field Reversed Configuration (FRC) magnetic topology are described in which plasma ions are contained magnetically in stable, non-adiabatic orbits in the FRC. Further, the electrons are contained electrostatically in a deep energy well, created by tuning an externally applied magnetic field. The simultaneous electrostatic confinement of electrons and magnetic confinement of ions avoids anomalous transport and facilitates classical containment of both electrons and ions. In this configuration, ions and electrons may have adequate density and temperature so that upon collisions they are fused together by nuclear force, thus releasing fusion energy. Moreover, the fusion fuel plasmas that can be used with the present confinement system and method are not limited to neutronic fuels only, but also advantageously include advanced fuels.

Magnetic and electrostatic confinement of plasma with tuning of electrostatic field

DOEpatents

Rostoker, Norman; Binderbauer, Michl; Qerushi, Artan; Tahsiri, Hooshang

2006-10-10

A system and method for containing plasma and forming a Field Reversed Configuration (FRC) magnetic topology are described in which plasma ions are contained magnetically in stable, non-adiabatic orbits in the FRC. Further, the electrons are contained electrostatically in a deep energy well, created by tuning an externally applied magnetic field. The simultaneous electrostatic confinement of electrons and magnetic confinement of ions avoids anomalous transport and facilitates classical containment of both electrons and ions. In this configuration, ions and electrons may have adequate density and temperature so that upon collisions they are fused together by nuclear force, thus releasing fusion energy. Moreover, the fusion fuel plasmas that can be used with the present confinement system and method are not limited to neutronic fuels only, but also advantageously include advanced fuels.

Magnetic and electrostatic confinement of plasma with tuning of electrostatic field

DOEpatents

Rostoker, Norman; Binderbauer, Michl; Qerushi, Artan; Tahsiri, Hooshang

2006-03-21

A system and method for containing plasma and forming a Field Reversed Configuration (FRC) magnetic topology are described in which plasma ions are contained magnetically in stable, non-adiabatic orbits in the FRC. Further, the electrons are contained electrostatically in a deep energy well, created by tuning an externally applied magnetic field. The simultaneous electrostatic confinement of electrons and magnetic confinement of ions avoids anomalous transport and facilitates classical containment of both electrons and ions. In this configuration, ions and electrons may have adequate density and temperature so that upon collisions they are fused together by nuclear force, thus releasing fusion energy. Moreover, the fusion fuel plasmas that can be used with the present confinement system and method are not limited to neutronic fuels only, but also advantageously include advanced fuels.

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

PubMed

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.

Electrostatic Charging and Particle Interactions in Microscopic Insulating Grains

NASA Astrophysics Data System (ADS)

Lee, Victor

In this thesis, we experimentally investigate the electrostatic charging as well as the particle interactions in microscopic insulating grains. First, by tracking individual grains accelerated in an electric field, we quantitatively demonstrate that tribocharging of same-material grains depends on particle size. Large grains tend to charge positively, and small ones tend to charge negatively. Theories based on the transfer of trapped electrons can explain this tendency but have not been validated. Here we show that the number of trapped electrons, measured independently by a thermoluminescence technique, is orders of magnitude too small to be responsible for the amount of charge transferred. This result reveals that trapped electrons are not responsible for same-material tribocharging of dielectric particles. Second, same-material tribocharging in grains can result in important long-range electrostatic interactions. However, how these electrostatic interactions contribute to particle clustering remains elusive, primarily due to the lack of direct, detailed observations. Using a high-speed camera that falls with a stream charged grains, we observe for the first time how charged grains can undergo attractive as well as repulsive Kepler-like orbits. Charged particles can be captured in their mutual electrostatic potential and form clusters via multiple bounces. Dielectric polarization effects are directly observed, which lead to additional attractive forces and stabilize "molecule-like" arrangements of charged particles. Third, we have developed a new method to study the charge transfer of microscopic particles based on acoustic levitation techniques. This method allows us to narrow the complex problem of many-particle charging down to precise charge measurements of a single sub-millimeter particle colliding with a target plate. By simply attaching nonpolar groups onto glass surfaces, we show that the contact charging of a particle is highly dependent on

Geometric and electrostatic modeling using molecular rigidity functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mu, Lin; Xia, Kelin; Wei, Guowei

Geometric and electrostatic modeling is an essential component in computational biophysics and molecular biology. Commonly used geometric representations admit geometric singularities such as cusps, tips and self-intersecting facets that lead to computational instabilities in the molecular modeling. Our present work explores the use of flexibility and rigidity index (FRI), which has a proved superiority in protein B-factor prediction, for biomolecular geometric representation and associated electrostatic analysis. FRI rigidity surfaces are free of geometric singularities. We propose a rigidity based Poisson–Boltzmann equation for biomolecular electrostatic analysis. These approaches to surface and electrostatic modeling are validated by a set of 21 proteins.more » Our results are compared with those of established methods. Finally, being smooth and analytically differentiable, FRI rigidity functions offer excellent curvature analysis, which characterizes concave and convex regions on protein surfaces. Polarized curvatures constructed by using the product of minimum curvature and electrostatic potential is shown to predict potential protein–ligand binding sites.« less

Geometric and electrostatic modeling using molecular rigidity functions

DOE PAGES

Mu, Lin; Xia, Kelin; Wei, Guowei

2017-03-01

Geometric and electrostatic modeling is an essential component in computational biophysics and molecular biology. Commonly used geometric representations admit geometric singularities such as cusps, tips and self-intersecting facets that lead to computational instabilities in the molecular modeling. Our present work explores the use of flexibility and rigidity index (FRI), which has a proved superiority in protein B-factor prediction, for biomolecular geometric representation and associated electrostatic analysis. FRI rigidity surfaces are free of geometric singularities. We propose a rigidity based Poisson–Boltzmann equation for biomolecular electrostatic analysis. These approaches to surface and electrostatic modeling are validated by a set of 21 proteins.more » Our results are compared with those of established methods. Finally, being smooth and analytically differentiable, FRI rigidity functions offer excellent curvature analysis, which characterizes concave and convex regions on protein surfaces. Polarized curvatures constructed by using the product of minimum curvature and electrostatic potential is shown to predict potential protein–ligand binding sites.« less

High-energy capacitance electrostatic micromotors

NASA Astrophysics Data System (ADS)

Baginsky, I. L.; Kostsov, E. G.

2003-03-01

The design and parameters of a new electrostatic micromotor with high energy output are described. The motor is created by means of microelectronic technology. Its operation is based on the electromechanic energy conversion during the electrostatic rolling of the metallic films (petals) on the ferroelectric film surface. The mathematical simulation of the main characteristics of the rolling process is carried out. The experimentally measured parameters of the petal step micromotors are shown. The motor operation and its efficiency are investigated.

21 CFR 892.1630 - Electrostatic x-ray imaging system.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Electrostatic x-ray imaging system. 892.1630... (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1630 Electrostatic x-ray imaging system. (a) Identification. An electrostatic x-ray imaging system is a device intended for medical...

21 CFR 892.1630 - Electrostatic x-ray imaging system.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Electrostatic x-ray imaging system. 892.1630... (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1630 Electrostatic x-ray imaging system. (a) Identification. An electrostatic x-ray imaging system is a device intended for medical...

Electrostatic attraction between neutral microdroplets by ion fluctuations

NASA Astrophysics Data System (ADS)

Sheng, Yu-Jane; Tsao, Heng-Kwong

2004-06-01

The interaction between two aqueous droplets containing ions is investigated. The ion-fluctuation correlation gives rise to attraction between two neutral microdroplets, similar to the van der Waals interaction between neutral atoms. Electrostatic attraction consists of contributions from various induced multipole-multipole interactions, including dipole-dipole < P2z >2 r-6 , dipole-quadrupole < P2z > < Q 2zz > r-8 , dipole-octupole < P2z > < O 2zzz > r-10 , and quadrupole-quadrupole interactions < Q 2zz >2 r-10 . The mean-square multipole moments are determined analytically by linear response theory. The fluctuation-driven attraction is so strong at short distance that it may dominate over the Coulomb repulsion between like-charged droplets. These theoretical results are confirmed by Monte Carlo simulations.

Electrostatic attraction between neutral microdroplets by ion fluctuations.

PubMed

Sheng, Yu-Jane; Tsao, Heng-Kwong

2004-06-01

The interaction between two aqueous droplets containing ions is investigated. The ion-fluctuation correlation gives rise to attraction between two neutral microdroplets, similar to the van der Waals interaction between neutral atoms. Electrostatic attraction consists of contributions from various induced multipole-multipole interactions, including dipole-dipole < P(2)(z) >(2) r(-6), dipole-quadrupole < P(2)(z) > < Q (2)(zz ) > r(-8), dipole-octupole < P(2)(z) > < O (2)(zzz ) > r(-10), and quadrupole-quadrupole interactions < Q (2)(zz ) >(2) r(-10). The mean-square multipole moments are determined analytically by linear response theory. The fluctuation-driven attraction is so strong at short distance that it may dominate over the Coulomb repulsion between like-charged droplets. These theoretical results are confirmed by Monte Carlo simulations.

Quantitative nanoscale electrostatics of viruses.

PubMed

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.

Using Programmable Calculators to Solve Electrostatics Problems.

ERIC Educational Resources Information Center

Yerian, Stephen C.; Denker, Dennis A.

1985-01-01

Provides a simple routine which allows first-year physics students to use programmable calculators to solve otherwise complex electrostatic problems. These problems involve finding electrostatic potential and electric field on the axis of a uniformly charged ring. Modest programing skills are required of students. (DH)

AN ELECTROSTATIC PRECIPITATOR BACKUP FOR SAMPLING SYSTEMS

EPA Science Inventory

The report describes a program carried out to design and evaluate the performance of an electrostatic collector to be used as an alternative to filters as a fine particle collector. Potential advantages of an electrostatic precipitator are low pressure drop and high capacity. Pot...

Stability, Nonlinearity and Reliability of Electrostatically Actuated MEMS Devices

PubMed Central

Zhang, Wen-Ming; Meng, Guang; Chen, Di

2007-01-01

Electrostatic micro-electro-mechanical system (MEMS) is a special branch with a wide range of applications in sensing and actuating devices in MEMS. This paper provides a survey and analysis of the electrostatic force of importance in MEMS, its physical model, scaling effect, stability, nonlinearity and reliability in detail. It is necessary to understand the effects of electrostatic forces in MEMS and then many phenomena of practical importance, such as pull-in instability and the effects of effective stiffness, dielectric charging, stress gradient, temperature on the pull-in voltage, nonlinear dynamic effects and reliability due to electrostatic forces occurred in MEMS can be explained scientifically, and consequently the great potential of MEMS technology could be explored effectively and utilized optimally. A simplified parallel-plate capacitor model is proposed to investigate the resonance response, inherent nonlinearity, stiffness softened effect and coupled nonlinear effect of the typical electrostatically actuated MEMS devices. Many failure modes and mechanisms and various methods and techniques, including materials selection, reasonable design and extending the controllable travel range used to analyze and reduce the failures are discussed in the electrostatically actuated MEMS devices. Numerical simulations and discussions indicate that the effects of instability, nonlinear characteristics and reliability subjected to electrostatic forces cannot be ignored and are in need of further investigation.

Electrostatic Interactions in Aminoglycoside-RNA Complexes

PubMed Central

Kulik, Marta; Goral, Anna M.; Jasiński, Maciej; Dominiak, Paulina M.; Trylska, Joanna

2015-01-01

Electrostatic interactions often play key roles in the recognition of small molecules by nucleic acids. An example is aminoglycoside antibiotics, which by binding to ribosomal RNA (rRNA) affect bacterial protein synthesis. These antibiotics remain one of the few valid treatments against hospital-acquired infections by Gram-negative bacteria. It is necessary to understand the amplitude of electrostatic interactions between aminoglycosides and their rRNA targets to introduce aminoglycoside modifications that would enhance their binding or to design new scaffolds. Here, we calculated the electrostatic energy of interactions and its per-ring contributions between aminoglycosides and their primary rRNA binding site. We applied either the methodology based on the exact potential multipole moment (EPMM) or classical molecular mechanics force field single-point partial charges with Coulomb formula. For EPMM, we first reconstructed the aspherical electron density of 12 aminoglycoside-RNA complexes from the atomic parameters deposited in the University at Buffalo Databank. The University at Buffalo Databank concept assumes transferability of electron density between atoms in chemically equivalent vicinities and allows reconstruction of the electron densities from experimental structural data. From the electron density, we then calculated the electrostatic energy of interaction using EPMM. Finally, we compared the two approaches. The calculated electrostatic interaction energies between various aminoglycosides and their binding sites correlate with experimentally obtained binding free energies. Based on the calculated energetic contributions of water molecules mediating the interactions between the antibiotic and rRNA, we suggest possible modifications that could enhance aminoglycoside binding affinity. PMID:25650932

Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors

NASA Astrophysics Data System (ADS)

Cho, Yeongsu; Berkelbach, Timothy C.

2018-01-01

We present an electrostatic theory of band-gap renormalization in atomically thin semiconductors that captures the strong sensitivity to the surrounding dielectric environment. In particular, our theory aims to correct known band gaps, such as that of the three-dimensional bulk crystal. Combining our quasiparticle band gaps with an effective-mass theory of excitons yields environmentally sensitive optical gaps as would be observed in absorption or photoluminescence. For an isolated monolayer of MoS2, the presented theory is in good agreement with ab initio results based on the G W approximation and the Bethe-Salpeter equation. We find that changes in the electronic band gap are almost exactly offset by changes in the exciton binding energy such that the energy of the first optical transition is nearly independent of the electrostatic environment, rationalizing experimental observations.

Electrostatic ``bounce'' instability in a magnetotail configuration

NASA Astrophysics Data System (ADS)

Fruit, G.; Louarn, P.; Tur, A.

2013-02-01

To understand the possible destabilization of two-dimensional current sheets, a kinetic model is proposed to describe the resonant interaction between electrostatic modes and trapped particles that bounce within the sheet. This work follows the initial investigation by Tur et al. [Phys. Plasmas 17, 102905 (2010)] that is revised and extended. Using a quasi-parabolic equilibrium state, the linearized gyro-kinetic Vlasov equation is solved for electrostatic fluctuations with period of the order of the electron bounce period. Using an appropriated Fourier expansion of the particle motion along the magnetic field, the complete time integration of the non-local perturbed distribution functions is performed. The dispersion relation for electrostatic modes is then obtained through the quasineutrality condition. It is found that strongly unstable electrostatic modes may develop provided that the current sheet is moderately stretched and, more important, that the proportion of passing particle remains small (less than typically 10%). This strong but finely tuned instability may offer opportunities to explain features of magnetospheric substorms.

Modeling salt-mediated electrostatics of macromolecules: the discrete surface charge optimization algorithm and its application to the nucleosome.

PubMed

Beard, D A; Schlick, T

2001-01-01

Much progress has been achieved on quantitative assessment of electrostatic interactions on the all-atom level by molecular mechanics and dynamics, as well as on the macroscopic level by models of continuum solvation. Bridging of the two representations-an area of active research-is necessary for studying integrated functions of large systems of biological importance. Following perspectives of both discrete (N-body) interaction and continuum solvation, we present a new algorithm, DiSCO (Discrete Surface Charge Optimization), for economically describing the electrostatic field predicted by Poisson-Boltzmann theory using a discrete set of Debye-Hückel charges distributed on a virtual surface enclosing the macromolecule. The procedure in DiSCO relies on the linear behavior of the Poisson-Boltzmann equation in the far zone; thus contributions from a number of molecules may be superimposed, and the electrostatic potential, or equivalently the electrostatic field, may be quickly and efficiently approximated by the summation of contributions from the set of charges. The desired accuracy of this approximation is achieved by minimizing the difference between the Poisson-Boltzmann electrostatic field and that produced by the linearized Debye-Hückel approximation using our truncated Newton optimization package. DiSCO is applied here to describe the salt-dependent electrostatic environment of the nucleosome core particle in terms of several hundred surface charges. This representation forms the basis for modeling-by dynamic simulations (or Monte Carlo)-the folding of chromatin. DiSCO can be applied more generally to many macromolecular systems whose size and complexity warrant a model resolution between the all-atom and macroscopic levels. Copyright 2000 John Wiley & Sons, Inc.

Electrostatic modification of novel materials

NASA Astrophysics Data System (ADS)

Ahn, C. H.; Bhattacharya, A.; di Ventra, M.; Eckstein, J. N.; Frisbie, C. Daniel; Gershenson, M. E.; Goldman, A. M.; Inoue, I. H.; Mannhart, J.; Millis, Andrew J.; Morpurgo, Alberto F.; Natelson, Douglas; Triscone, Jean-Marc

2006-10-01

Application of the field-effect transistor principle to novel materials to achieve electrostatic doping is a relatively new research area. It may provide the opportunity to bring about modifications of the electronic and magnetic properties of materials through controlled and reversible changes of the carrier concentration without modifying the level of disorder, as occurs when chemical composition is altered. As well as providing a basis for new devices, electrostatic doping can in principle serve as a tool for studying quantum critical behavior, by permitting the ground state of a system to be tuned in a controlled fashion. In this paper progress in electrostatic doping of a number of materials systems is reviewed. These include structures containing complex oxides, such as cuprate superconductors and colossal magnetoresistive compounds, organic semiconductors, in the form of both single crystals and thin films, inorganic layered compounds, single molecules, and magnetic semiconductors. Recent progress in the field is discussed, including enabling experiments and technologies, open scientific issues and challenges, and future research opportunities. For many of the materials considered, some of the results can be anticipated by combining knowledge of macroscopic or bulk properties and the understanding of the field-effect configuration developed during the course of the evolution of conventional microelectronics. However, because electrostatic doping is an interfacial phenomenon, which is largely an unexplored field, real progress will depend on the development of a better understanding of lattice distortion and charge transfer at interfaces in these systems.

Assessment and control of electrostatic charges. [hazards to space missions

NASA Technical Reports Server (NTRS)

Barrett, M.

1974-01-01

The experience is described of NASA and DOD with electrostatic problems, generation mechanisms, and type of electrostatic hazards. Guidelines for judging possible effects of electrostatic charges on space missions are presented along with mathematical formulas and definitions.

Mixtures of charged colloid and neutral polymer: Influence of electrostatic interactions on demixing and interfacial tension

NASA Astrophysics Data System (ADS)

Denton, Alan R.; Schmidt, Matthias

2005-06-01

The equilibrium phase behavior of a binary mixture of charged colloids and neutral, nonadsorbing polymers is studied within free-volume theory. A model mixture of charged hard-sphere macroions and ideal, coarse-grained, effective-sphere polymers is mapped first onto a binary hard-sphere mixture with nonadditive diameters and then onto an effective Asakura-Oosawa model [S. Asakura and F. Oosawa, J. Chem. Phys. 22, 1255 (1954)]. The effective model is defined by a single dimensionless parameter—the ratio of the polymer diameter to the effective colloid diameter. For high salt-to-counterion concentration ratios, a free-volume approximation for the free energy is used to compute the fluid phase diagram, which describes demixing into colloid-rich (liquid) and colloid-poor (vapor) phases. Increasing the range of electrostatic interactions shifts the demixing binodal toward higher polymer concentration, stabilizing the mixture. The enhanced stability is attributed to a weakening of polymer depletion-induced attraction between electrostatically repelling macroions. Comparison with predictions of density-functional theory reveals a corresponding increase in the liquid-vapor interfacial tension. The predicted trends in phase stability are consistent with observed behavior of protein-polysaccharide mixtures in food colloids.

Measurements of the Casimir-Lifshitz force in fluids: The effect of electrostatic forces and Debye screening

NASA Astrophysics Data System (ADS)

Munday, J. N.; Capasso, Federico; Parsegian, V. Adrian; Bezrukov, Sergey M.

2008-09-01

We present detailed measurements of the Casimir-Lifshitz force between two gold surfaces (a sphere and a plate) immersed in ethanol and study the effect of residual electrostatic forces, which are dominated by static fields within the apparatus and can be reduced with proper shielding. Electrostatic forces are further reduced by Debye screening through the addition of salt ions to the liquid. Additionally, the salt leads to a reduction of the Casimir-Lifshitz force by screening the zero-frequency contribution to the force; however, the effect is small between gold surfaces at the measured separations and within experimental error. An improved calibration procedure is described and compared with previous methods. Finally, the experimental results are compared with Lifshitz’s theory and found to be consistent for the materials used in the experiment.

Surface electrostatics of lipid bilayers by EPR of a pH-sensitive spin-labeled lipid.

PubMed

Voinov, Maxim A; Rivera-Rivera, Izarys; Smirnov, Alex I

2013-01-08

Many biophysical processes such as insertion of proteins into membranes and membrane fusion are governed by bilayer electrostatic potential. At the time of this writing, the arsenal of biophysical methods for such measurements is limited to a few techniques. Here we describe a, to our knowledge, new spin-probe electron paramagnetic resonance (EPR) approach for assessing the electrostatic surface potential of lipid bilayers that is based on a recently synthesized EPR probe (IMTSL-PTE) containing a reversibly ionizable nitroxide tag attached to the lipids' polar headgroup. EPR spectra of the probe directly report on its ionization state and, therefore, on electrostatic potential through changes in nitroxide magnetic parameters and the degree of rotational averaging. Further, the lipid nature of the probe provides its full integration into lipid bilayers. Tethering the nitroxide moiety directly to the lipid polar headgroup defines the location of the measured potential with respect to the lipid bilayer interface. Electrostatic surface potentials measured by EPR of IMTSL-PTE show a remarkable (within ±2%) agreement with the Gouy-Chapman theory for anionic DMPG bilayers in fluid (48°C) phase at low electrolyte concentration (50 mM) and in gel (17°C) phase at 150-mM electrolyte concentration. This agreement begins to diminish for DMPG vesicles in gel phase (17°C) upon varying electrolyte concentration and fluid phase bilayers formed from DMPG/DMPC and POPG/POPC mixtures. Possible reasons for such deviations, as well as the proper choice of an electrostatically neutral reference interface, have been discussed. Described EPR method is expected to be fully applicable to more-complex models of cellular membranes. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Electrostatics of proteins in dielectric solvent continua. II. First applications in molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Stork, Martina; Tavan, Paul

2007-04-01

In the preceding paper by Stork and Tavan, [J. Chem. Phys. 126, 165105 (2007)], the authors have reformulated an electrostatic theory which treats proteins surrounded by dielectric solvent continua and approximately solves the associated Poisson equation [B. Egwolf and P. Tavan, J. Chem. Phys. 118, 2039 (2003)]. The resulting solution comprises analytical expressions for the electrostatic reaction field (RF) and potential, which are generated within the protein by the polarization of the surrounding continuum. Here the field and potential are represented in terms of Gaussian RF dipole densities localized at the protein atoms. Quite like in a polarizable force field, also the RF dipole at a given protein atom is induced by the partial charges and RF dipoles at the other atoms. Based on the reformulated theory, the authors have suggested expressions for the RF forces, which obey Newton's third law. Previous continuum approaches, which were also built on solutions of the Poisson equation, used to violate the reactio principle required by this law, and thus were inapplicable to molecular dynamics (MD) simulations. In this paper, the authors suggest a set of techniques by which one can surmount the few remaining hurdles still hampering the application of the theory to MD simulations of soluble proteins and peptides. These techniques comprise the treatment of the RF dipoles within an extended Lagrangian approach and the optimization of the atomic RF polarizabilities. Using the well-studied conformational dynamics of alanine dipeptide as the simplest example, the authors demonstrate the remarkable accuracy and efficiency of the resulting RF-MD approach.

Improved Electronic Control for Electrostatic Precipitators

NASA Technical Reports Server (NTRS)

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.

Steric, Quantum, and Electrostatic Effects on SN2 Reaction Barriers in Gas Phase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Shubin; Hu, Hao; Pedersen, Lee G.

2010-05-13

Biomolecular nucleophilic substitution reactions, S{sub N}2, are fundamental and commonplace in chemistry. It is the well-documented experimental finding in the literature that vicinal substitution with bulkier groups near the reaction center significantly slows the reaction due to steric hindrance, but theoretical understanding in the quantitative manner about factors dictating the S{sub N}2 reaction barrier height is still controversial. In this work, employing the new quantification approach that we recently proposed for the steric effect from the density functional theory framework, we investigate the relative contribution of three independent effects—steric, electrostatic, and quantum—to the S{sub N}2 barrier heights in gas phasemore » for substituted methyl halide systems, R{sub 1}R{sub 2}R{sub 3}CX, reacting with the fluorine anion, where R{sub 1}, R{sub 2}, and R{sub 3} denote substituting groups and X = F or Cl. We found that in accordance with the experimental finding, for these systems, the steric effect dominates the transition state barrier, contributing positively to barrier heights, but this contribution is largely compensated by the negative, stabilizing contribution from the quantum effect due to the exchange-correlation interactions. Moreover, we find that it is the component from the electrostatic effect that is linearly correlated with the S{sub N}2 barrier height for the systems investigated in the present study. In addition, we compared our approach with the conventional method of energy decomposition in density functional theory as well as examined the steric effect from the wave function theory for these systems via natural bond orbital analysis.« less

Quasi-stationary fluid theory of the hole-boring process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pei, Zhikun; Shen, Baifei, E-mail: bfshen@mail.shcnc.ac.cn; Shi, Yin

We present a quasi-stationary fluid theory to precisely describe the hole-boring process. The corresponding distributions of the electrostatic field and the particle density are theoretically obtained, which give more details than the previous stationary theory. The theoretical result is confirmed by one-dimensional particle-in-cell simulations. Such quasi-stationary fluid theory may help in understanding the basic mechanisms of ion acceleration in the radiation pressure acceleration.

Two-tone nonlinear electrostatic waves in the quantum electron–hole plasma of semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dubinov, A. E., E-mail: dubinov-ae@yandex.ru; Kitayev, I. N.

2017-01-15

Longitudinal electrostatic waves in the quantum electron–hole plasma of semiconductors are considered taking into account the degeneracy of electrons and holes and the exchange interaction. It is found in the framework of linear theory that the dispersion curve of longitudinal waves has two branches: plasmon and acoustic. An expression for the critical cutoff frequency for plasma oscillations and an expression for the speed of sound for acoustic vibrations are derived. It is shown that the plasma wave always exists in the form of a superposition of two components, characterized by different periods and wavelengths. Two nonlinear solutions are obtained withinmore » nonlinear theory: one in the form of a simple superposition of two tones and the other in the form of beats.« less

Electrostatically confined nanoparticle interactions and dynamics.

PubMed

Eichmann, Shannon L; Anekal, Samartha G; Bevan, Michael A

2008-02-05

We report integrated evanescent wave and video microscopy measurements of three-dimensional trajectories of 50, 100, and 250 nm gold nanoparticles electrostatically confined between parallel planar glass surfaces separated by 350 and 600 nm silica colloid spacers. Equilibrium analyses of single and ensemble particle height distributions normal to the confining walls produce net electrostatic potentials in excellent agreement with theoretical predictions. Dynamic analyses indicate lateral particle diffusion coefficients approximately 30-50% smaller than expected from predictions including the effects of the equilibrium particle distribution within the gap and multibody hydrodynamic interactions with the confining walls. Consistent analyses of equilibrium and dynamic information in each measurement do not indicate any roles for particle heating or hydrodynamic slip at the particle or wall surfaces, which would both increase diffusivities. Instead, lower than expected diffusivities are speculated to arise from electroviscous effects enhanced by the relative extent (kappaa approximately 1-3) and overlap (kappah approximately 2-4) of electrostatic double layers on the particle and wall surfaces. These results demonstrate direct, quantitative measurements and a consistent interpretation of metal nanoparticle electrostatic interactions and dynamics in a confined geometry, which provides a basis for future similar measurements involving other colloidal forces and specific biomolecular interactions.

Biofilm formation and local electrostatic force characteristics of Escherichia coli O157:H7 observed by electrostatic force microscopy

NASA Astrophysics Data System (ADS)

Oh, Y. J.; Jo, W.; Yang, Y.; Park, S.

2007-04-01

The authors report growth media dependence of electrostatic force characteristics in Escherichia coli O157:H7 biofilm through local measurement by electrostatic force microscopy (EFM). The difference values of electrostatic interaction between the bacterial surface and the abiotic surface show an exponential decay behavior during biofilm development. In the EFM data, the biofilm in the low nutrient media shows a faster decay than the biofilm in the rich media. The surface potential in the bacterial cells was changed from 957to149mV. Local characterization of extracellular materials extracted from the bacteria reveals the progress of the biofilm formation and functional complexities.

Macroion solutions in the cell model studied by field theory and Monte Carlo simulations.

PubMed

Lue, Leo; Linse, Per

2011-12-14

Aqueous solutions of charged spherical macroions with variable dielectric permittivity and their associated counterions are examined within the cell model using a field theory and Monte Carlo simulations. The field theory is based on separation of fields into short- and long-wavelength terms, which are subjected to different statistical-mechanical treatments. The simulations were performed by using a new, accurate, and fast algorithm for numerical evaluation of the electrostatic polarization interaction. The field theory provides counterion distributions outside a macroion in good agreement with the simulation results over the full range from weak to strong electrostatic coupling. A low-dielectric macroion leads to a displacement of the counterions away from the macroion. © 2011 American Institute of Physics

On the nature of kinetic electrostatic electron nonlinear (KEEN) waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dodin, I. Y.; Fisch, N. J.

2014-03-15

An analytical theory is proposed for the kinetic electrostatic electron nonlinear (KEEN) waves originally found in simulations by Afeyan et al. [arXiv:1210.8105]. We suggest that KEEN waves represent saturated states of the negative mass instability (NMI) reported recently by Dodin et al. [Phys. Rev. Lett. 110, 215006 (2013)]. Due to the NMI, trapped electrons form macroparticles that produce field oscillations at harmonics of the bounce frequency. At large enough amplitudes, these harmonics can phase-lock to the main wave and form stable nonlinear dissipationless structures that are nonstationary but otherwise similar to Bernstein-Greene-Kruskal modes. The theory explains why the formation ofmore » KEEN modes is sensitive to the excitation scenario and yields estimates that agree with the numerical results of Afeyan et al. A new type of KEEN wave may be possible at even larger amplitudes of the driving field than those used in simulations so far.« less

Electrostatic camera system functional design study

NASA Technical Reports Server (NTRS)

Botticelli, R. A.; Cook, F. J.; Moore, R. F.

1972-01-01

A functional design study for an electrostatic camera system for application to planetary missions is presented. The electrostatic camera can produce and store a large number of pictures and provide for transmission of the stored information at arbitrary times after exposure. Preliminary configuration drawings and circuit diagrams for the system are illustrated. The camera system's size, weight, power consumption, and performance are characterized. Tradeoffs between system weight, power, and storage capacity are identified.

Electrostatic Levitation Furnace for the ISS

NASA Technical Reports Server (NTRS)

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

Miniature Electrostatic Ion Thruster With Magnet

NASA Technical Reports Server (NTRS)

Hartley, Frank T.

2006-01-01

A miniature electrostatic ion thruster is proposed that, with one exception, would be based on the same principles as those of the device described in the previous article, "Miniature Bipolar Electrostatic Ion Thruster". The exceptional feature of this thruster would be that, in addition to using electric fields for linear acceleration of ions and electrons, it would use a magnetic field to rotationally accelerate slow electrons into the ion stream to neutralize the ions.

Embedding beyond electrostatics-The role of wave function confinement.

PubMed

Nåbo, Lina J; Olsen, Jógvan Magnus Haugaard; Holmgaard List, Nanna; Solanko, Lukasz M; Wüstner, Daniel; Kongsted, Jacob

2016-09-14

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.

Electrostatic interaction between dissimilar colloids at fluid interfaces

NASA Astrophysics Data System (ADS)

Majee, Arghya; Schmetzer, Timo; Bier, Markus

2018-04-01

The electrostatic interaction between two nonidentical, moderately charged colloids situated in close proximity of each other at a fluid interface is studied. By resorting to a well-justified model system, this problem is analytically solved within the framework of linearized Poisson-Boltzmann density functional theory. The resulting interaction comprises a surface and a line part, both of which, as functions of the interparticle separation, show a rich behavior including monotonic as well as nonmonotonic variations. In almost all cases, these variations cannot be captured correctly by using the superposition approximation. Moreover, expressions for the surface tensions, the line tensions and the fluid-fluid interfacial tension, which are all independent of the interparticle separation, are obtained. Our results are expected to be particularly useful for emulsions stabilized by oppositely charged particles.

High Power HF Excitation of Low Frequency Stimulated Electrostatic Waves in the Ionospheric Plasma over HAARP

NASA Astrophysics Data System (ADS)

Bernhardt, Paul; Selcher, Craig A.

High Power electromagnetic (EM) waves transmitted from the HAARP facility in Alaska can excite low frequency electrostatic waves by several processes including (1) direct magnetized stimulated Brillouin scatter (MSBS) and (2) parametric decay of high frequency electrostatic waves into electron and ion Bernstein waves. Either an ion acoustic (IA) wave with a frequency less than the ion cyclotron frequency (fCI) or an electrostatic ion cyclotron (EIC) wave just above fCI can be produced by MSBS. The coupled equations describing the MSBS instabil-ity show that the production of both IA and EIC waves is strongly influenced by the wave propagation direction relative to the background magnetic field. Experimental observations of stimulated electromagnetic emissions (SEE) using the HAARP transmitter in Alaska have confirmed the theoretical predictions that only IA waves are excited for propagation along the magnetic zenith and that EIC waves can only be detected with oblique propagation angles. The electron temperature in the heated plasma is obtained from the IA spectrum offsets from the pump frequency. The ion composition can be determined from the measured EIC frequency. Near the second harmonic of the electron cyclotron frequency, the EM pump wave is converted into an electron Bernstein (EB) wave that decays into another EB wave and an ion Bernstein (IB) wave. Strong cyclotron resonance with the EB wave leads to acceleration of the electrons. Ground based SEE observations are related to the theory of low-frequency electrostatic wave generation.

Polarizable multipolar electrostatics for cholesterol

NASA Astrophysics Data System (ADS)

Fletcher, Timothy L.; Popelier, Paul L. A.

2016-08-01

FFLUX is a novel force field under development for biomolecular modelling, and is based on topological atoms and the machine learning method kriging. Successful kriging models have been obtained for realistic electrostatics of amino acids, small peptides, and some carbohydrates but here, for the first time, we construct kriging models for a sizeable ligand of great importance, which is cholesterol. Cholesterol's mean total (internal) electrostatic energy prediction error amounts to 3.9 kJ mol-1, which pleasingly falls below the threshold of 1 kcal mol-1 often cited for accurate biomolecular modelling. We present a detailed analysis of the error distributions.

Electrostatically actuatable light modulating device

DOEpatents

Koehler, Dale R.

1991-01-01

The electrostatically actuatable light modulator utilizes an opaque substrate plate patterned with an array of aperture cells, the cells comprised of physically positionable dielectric shutters and electrostatic actuators. With incorporation of a light source and a viewing screen, a projection display system is effected. Inclusion of a color filter array aligned with the aperture cells accomplishes a color display. The system is realized in terms of a silicon based manufacturing technology allowing fabrication of a high resolution capability in a physically small device which with the utilization of included magnification optics allows both large and small projection displays.

Large enhancement of capacitance driven by electrostatic image forces

NASA Astrophysics Data System (ADS)

Loth, Matthew Scott

The purpose of this thesis is to examine the role of electrostatic images in determining the capacitance and the structure of the electrostatic double layer (EDL) formed at the interface of a metal electrode and an electrolyte. Current mean field theories, and the majority of simulations, do not account for ions to form image charges in the metal electrodes and claim that the capacitance of the double layer cannot be larger than that of the Helmholtz capacitor, whose width is equal to the radius of an ion. However, in some experiments, and simulations where the images are included, the apparent width of the capacitor is substantially smaller. Monte Carlo simulations are used to examine the interface between a metal electrode and a room temperature ionic liquid (RTIL) modeled by hard spheres (the "restricted primitive model"). Image charges for each ion are included in the simulated electrode. At moderately low temperatures the capacitance of the metal/RTIL interface is so large that the effective thickness of the electrostatic double-layer is up to 3 times smaller than the ion radius. To interpret these results, an approach is used that is based on the interaction between discrete ions and their image charges, which therefore goes beyond the mean-field approximation. When a voltage is applied across the interface, the strong image attraction causes counterions to condense onto the metal surface to form compact ion-image dipoles. These dipoles repel each other to form a correlated liquid. When the surface density of these dipoles is low, the insertion of an additional dipole does not require much energy. This leads to a large capacitance C that decreases monotonically with voltage V, producing a "bell-shaped" C( V) curve. In the case of a semi-metal electrode, the finite screening radius of the electrode shifts the reflection plane for image charges to the interior of the electrode resulting in a "camel-shaped" C(V) curve, which is parabolic near V = 0, reaches a

Electron collection theory for a D-region subsonic blunt electrostatic probe

NASA Technical Reports Server (NTRS)

Wai-Kwong Lai, T.

1974-01-01

Blunt probe theory for subsonic flow in a weakly ionized and collisional gas is reviewed, and an electron collection theory for the relatively unexplored case, Deybye length approximately 1, which occurs in the lower ionosphere (D-region), is developed. It is found that the dimensionless Debye length is no longer an electric field screening parameter, and the space charge field effect can be negelected. For ion collection, Hoult-Sonin theory is recognized as a correct description of the thin, ion density-perturbed layer adjacent the blunt probe surface. The large volume with electron density perturbed by a positively biased probe renders the usual thin boundary layer analysis inapplicable. Theories relating free stream conditions to the electron collection rate for both stationary and moving blunt probes are obtained. A model based on experimental nonlinear electron drift velocity data is proposed. For a subsonically moving probe, it is found that the perturbed region can be divided into four regions with distinct collection mechanisms.

Extending the Solvation-Layer Interface Condition Continum Electrostatic Model to a Linearized Poisson-Boltzmann Solvent.

PubMed

Molavi Tabrizi, Amirhossein; Goossens, Spencer; Mehdizadeh Rahimi, Ali; Cooper, Christopher D; Knepley, Matthew G; Bardhan, Jaydeep P

2017-06-13

We extend the linearized Poisson-Boltzmann (LPB) continuum electrostatic model for molecular solvation to address charge-hydration asymmetry. Our new solvation-layer interface condition (SLIC)/LPB corrects for first-shell response by perturbing the traditional continuum-theory interface conditions at the protein-solvent and the Stern-layer interfaces. We also present a GPU-accelerated treecode implementation capable of simulating large proteins, and our results demonstrate that the new model exhibits significant accuracy improvements over traditional LPB models, while reducing the number of fitting parameters from dozens (atomic radii) to just five parameters, which have physical meanings related to first-shell water behavior at an uncharged interface. In particular, atom radii in the SLIC model are not optimized but uniformly scaled from their Lennard-Jones radii. Compared to explicit-solvent free-energy calculations of individual atoms in small molecules, SLIC/LPB is significantly more accurate than standard parametrizations (RMS error 0.55 kcal/mol for SLIC, compared to RMS error of 3.05 kcal/mol for standard LPB). On parametrizing the electrostatic model with a simple nonpolar component for total molecular solvation free energies, our model predicts octanol/water transfer free energies with an RMS error 1.07 kcal/mol. A more detailed assessment illustrates that standard continuum electrostatic models reproduce total charging free energies via a compensation of significant errors in atomic self-energies; this finding offers a window into improving the accuracy of Generalized-Born theories and other coarse-grained models. Most remarkably, the SLIC model also reproduces positive charging free energies for atoms in hydrophobic groups, whereas standard PB models are unable to generate positive charging free energies regardless of the parametrized radii. The GPU-accelerated solver is freely available online, as is a MATLAB implementation.

Electrostatics of Granular Materials

NASA Technical Reports Server (NTRS)

Marshall, John

2004-01-01

The purpose of the research was to continue developing an understanding of electrostatic phenomena in preparation for any future flight opportunities of the EGM experiment, originally slated for a 2004 Space Station deployment. Work would be based on theoretical assessments, ground-based lab experiments, and reduced-gravity experiments. The ability to examine dipoles in the lab proved to be elusive, and thus, effort was concentrated on monopoles -how materials become charged, the fate of the charge, the role of material type, and so forth. Several significant milestones were achieved in this regard. In regard of the dipoles, experiments were designed in collaboration with the University of Chicago school district who had access to reduced gravity on the KC-135 aircraft. Two experiments were slated to fly last year but were cancelled after the Columbia accident. One of the experiments has been given a second life and will fly sometime in 2005 if the Shuttle flights resume. There remains active interest in the question of electrostatic dipoles within the educational community, and experiments using magnetic dipoles as a substitute are to be examined. The KC-135 experiments will also examine dispersion methods for particles as a verification of possible future techniques in microgravity. Both laboratory and theoretical work established a number of breakthroughs in our understanding of electrostatic phenomena. These breakthroughs are listed in this paper.

Long-range electrostatic screening in ionic liquids

PubMed Central

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

2015-01-01

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. PMID:26040001

Electrostatic-Dipole (ED) Fusion Confinement Studies

NASA Astrophysics Data System (ADS)

Miley, George H.; Shrestha, Prajakti J.; Yang, Yang; Thomas, Robert

2004-11-01

The Electrostatic-Dipole (ED) concept significantly differs from a "pure" dipole confinement device [1] in that the charged particles are preferentially confined to the high-pressure region interior of the dipole coil by the assistance of a surrounding spherical electrostatic grid. In present ED experiments, a current carrying coil is embedded inside the grid of an IEC such as to produce a magnetic dipole field. Charged particles are injected axisymmetrically from an ion gun (or duo-plasmatron) into the center of the ED confinement grid/dipole ring where they oscillate along the magnetic field lines and pass the peak field region at the center of the dipole region. As particles begin accelerating away from the center region towards the outer electrostatic grid region, they encounter a strong electrostatic potential (order of 10's of kilovolts) retarding force. The particles then decelerate, reverse direction and re-enter the dipole field region where again magnetic confinement dominates. This process continues, emulating a complex harmonic oscillator motion. The resulting pressure profile averaged over the field curvature offers good plasma stability in the ED configuration. The basic concept and results from preliminary experiments will be described. [1] M.E. Mauel, et al. "Dipole Equilibrium and Stability," 18th IAEA Conference of Plasma Phys. and Control. Nuclear Fusion, Varenna, Italy 2000, IAEA-F1-CN-70/TH

Innovative Electrostatic Adhesion Technologies

NASA Technical Reports Server (NTRS)

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

Innovative Electrostatic Adhesion Technologies

NASA Astrophysics Data System (ADS)

Gagliano, L.; Bryan, T.; Williams, S.; McCoy, B.; MacLeod, T.

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 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 development

Biobriefcase electrostatic aerosol collector

DOEpatents

Bell, Perry M [Tracy, CA; Christian, Allen T [Madison, WI; Bailey, Christopher G [Pleasanton, CA; Willis, Ladona [Manteca, CA; Masquelier, Donald A [Tracy, CA; Nasarabadi, Shanavaz L [Livermore, CA

2009-03-17

A system for sampling air and collecting particles entrained in the air comprising a receiving surface, a liquid input that directs liquid to the receiving surface and produces a liquid surface, an air input that directs the air so that the air with particles entrained in the air impact the liquid surface, and an electrostatic contact connected to the liquid that imparts an electric charge to the liquid. The particles potentially including bioagents become captured in the liquid by the air with particles entrained in the air impacting the liquid surface. Collection efficiency is improved by the electrostatic contact electrically charging the liquid. The effects of impaction and adhesion due to electrically charging the liquid allows a unique combination in a particle capture medium that has a low fluid consumption rate while maintaining high efficiency.

Review on the Modeling of Electrostatic MEMS

PubMed Central

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

Preliminary tests of the electrostatic plasma accelerator

NASA Technical Reports Server (NTRS)

Aston, G.; Acker, T.

1990-01-01

This report describes the results of a program to verify an electrostatic plasma acceleration concept and to identify those parameters most important in optimizing an Electrostatic Plasma Accelerator (EPA) thruster based upon this thrust mechanism. Preliminary performance measurements of thrust, specific impulse and efficiency were obtained using a unique plasma exhaust momentum probe. Reliable EPA thruster operation was achieved using one power supply.

Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doktorova, Milka; Heberle, Frederick A.; Kingston, Richard L.

Binding of the retroviral structural protein Gag to the cellular plasma membrane is mediated by the protein’s matrix (MA) domain. Prominent among MA-PM interactions is electrostatic attraction between the positively charged MA domain and the negatively charged plasma membrane inner leaflet. Previously, we reported that membrane association of HIV-1 Gag, as well as purified Rous sarcoma virus (RSV) MA and Gag, depends strongly on the presence of acidic lipids and is enhanced by cholesterol (Chol). The mechanism underlying this enhancement was unclear. Here in this paper, using a broad set of in vitro and in silico techniques we addressed molecularmore » mechanisms of association between RSV MA and model membranes, and investigated how Chol enhances this association. In neutron scattering experiments with liposomes in the presence or absence of Chol, MA preferentially interacted with preexisting POPS-rich clusters formed by nonideal lipid mixing, binding peripherally to the lipid headgroups with minimal perturbation to the bilayer structure. Molecular dynamics simulations showed a stronger MA-bilayer interaction in the presence of Chol, and a large Chol-driven increase in lipid packing and membrane surface charge density. Although in vitro MA-liposome association is influenced by disparate variables, including ionic strength and concentrations of Chol and charged lipids, continuum electrostatic theory revealed an underlying dependence on membrane surface potential. Together, these results conclusively show that Chol affects RSV MA-membrane association by making the electrostatic potential at the membrane surface more negative, while decreasing the penalty for lipid headgroup desolvation. The presented approach can be applied to other viral and nonviral proteins.« less

Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties.

PubMed

Doktorova, Milka; Heberle, Frederick A; Kingston, Richard L; Khelashvili, George; Cuendet, Michel A; Wen, Yi; Katsaras, John; Feigenson, Gerald W; Vogt, Volker M; Dick, Robert A

2017-11-07

Binding of the retroviral structural protein Gag to the cellular plasma membrane is mediated by the protein's matrix (MA) domain. Prominent among MA-PM interactions is electrostatic attraction between the positively charged MA domain and the negatively charged plasma membrane inner leaflet. Previously, we reported that membrane association of HIV-1 Gag, as well as purified Rous sarcoma virus (RSV) MA and Gag, depends strongly on the presence of acidic lipids and is enhanced by cholesterol (Chol). The mechanism underlying this enhancement was unclear. Here, using a broad set of in vitro and in silico techniques we addressed molecular mechanisms of association between RSV MA and model membranes, and investigated how Chol enhances this association. In neutron scattering experiments with liposomes in the presence or absence of Chol, MA preferentially interacted with preexisting POPS-rich clusters formed by nonideal lipid mixing, binding peripherally to the lipid headgroups with minimal perturbation to the bilayer structure. Molecular dynamics simulations showed a stronger MA-bilayer interaction in the presence of Chol, and a large Chol-driven increase in lipid packing and membrane surface charge density. Although in vitro MA-liposome association is influenced by disparate variables, including ionic strength and concentrations of Chol and charged lipids, continuum electrostatic theory revealed an underlying dependence on membrane surface potential. Together, these results conclusively show that Chol affects RSV MA-membrane association by making the electrostatic potential at the membrane surface more negative, while decreasing the penalty for lipid headgroup desolvation. The presented approach can be applied to other viral and nonviral proteins. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties

DOE PAGES

Doktorova, Milka; Heberle, Frederick A.; Kingston, Richard L.; ...

2017-11-07

Binding of the retroviral structural protein Gag to the cellular plasma membrane is mediated by the protein’s matrix (MA) domain. Prominent among MA-PM interactions is electrostatic attraction between the positively charged MA domain and the negatively charged plasma membrane inner leaflet. Previously, we reported that membrane association of HIV-1 Gag, as well as purified Rous sarcoma virus (RSV) MA and Gag, depends strongly on the presence of acidic lipids and is enhanced by cholesterol (Chol). The mechanism underlying this enhancement was unclear. Here in this paper, using a broad set of in vitro and in silico techniques we addressed molecularmore » mechanisms of association between RSV MA and model membranes, and investigated how Chol enhances this association. In neutron scattering experiments with liposomes in the presence or absence of Chol, MA preferentially interacted with preexisting POPS-rich clusters formed by nonideal lipid mixing, binding peripherally to the lipid headgroups with minimal perturbation to the bilayer structure. Molecular dynamics simulations showed a stronger MA-bilayer interaction in the presence of Chol, and a large Chol-driven increase in lipid packing and membrane surface charge density. Although in vitro MA-liposome association is influenced by disparate variables, including ionic strength and concentrations of Chol and charged lipids, continuum electrostatic theory revealed an underlying dependence on membrane surface potential. Together, these results conclusively show that Chol affects RSV MA-membrane association by making the electrostatic potential at the membrane surface more negative, while decreasing the penalty for lipid headgroup desolvation. The presented approach can be applied to other viral and nonviral proteins.« less

Charge sniffer for electrostatics demonstrations

NASA Astrophysics Data System (ADS)

Dinca, Mihai P.

2011-02-01

An electronic electroscope with a special design for demonstrations and experiments on static electricity is described. It operates as an electric charge sniffer by detecting slightly charged objects when they are brought to the front of its sensing electrode. The sniffer has the advantage of combining high directional sensitivity with a logarithmic bar display. It allows for the identification of electric charge polarity during charge separation by friction, peeling, electrostatic induction, batteries, or secondary coils of power transformers. Other experiments in electrostatics, such as observing the electric field of an oscillating dipole and the distance dependence of the electric field generated by simple charge configurations, are also described.

Electrostatically Biased Binding of Kinesin to Microtubules

PubMed Central

Zheng, Wenjun; Alonso, Maria; Huber, Gary; Dlugosz, Maciej; McCammon, J. Andrew; Cross, Robert A.

2011-01-01

The minimum motor domain of kinesin-1 is a single head. Recent evidence suggests that such minimal motor domains generate force by a biased binding mechanism, in which they preferentially select binding sites on the microtubule that lie ahead in the progress direction of the motor. A specific molecular mechanism for biased binding has, however, so far been lacking. Here we use atomistic Brownian dynamics simulations combined with experimental mutagenesis to show that incoming kinesin heads undergo electrostatically guided diffusion-to-capture by microtubules, and that this produces directionally biased binding. Kinesin-1 heads are initially rotated by the electrostatic field so that their tubulin-binding sites face inwards, and then steered towards a plus-endwards binding site. In tethered kinesin dimers, this bias is amplified. A 3-residue sequence (RAK) in kinesin helix alpha-6 is predicted to be important for electrostatic guidance. Real-world mutagenesis of this sequence powerfully influences kinesin-driven microtubule sliding, with one mutant producing a 5-fold acceleration over wild type. We conclude that electrostatic interactions play an important role in the kinesin stepping mechanism, by biasing the diffusional association of kinesin with microtubules. PMID:22140358

A versatile electrostatic trap with open optical access

NASA Astrophysics Data System (ADS)

Li, Sheng-Qiang; Yin, Jian-Ping

2018-04-01

A versatile electrostatic trap with open optical access for cold polar molecules in weak-field-seeking state is proposed in this paper. The trap is composed of a pair of disk electrodes and a hexapole. With the help of a finite element software, the spatial distribution of the electrostatic field is calculated. The results indicate that a three-dimensional closed electrostatic trap is formed. Taking ND3 molecules as an example, the dynamic process of loading and trapping is simulated. The results show that when the velocity of the molecular beam is 10 m/s and the loading time is 0.9964 ms, the maximum loading efficiency reaches 94.25% and the temperature of the trapped molecules reaches about 30.3 mK. A single well can be split into two wells, which is of significant importance to the precision measurement and interference of matter waves. This scheme, in addition, can be further miniaturized to construct one-dimensional, two-dimensional, and three-dimensional spatial electrostatic lattices.

Automated Electrostatics Environmental Chamber

NASA Technical Reports Server (NTRS)

Calle, Carlos; Lewis, Dean C.; Buchanan, Randy K.; Buchanan, Aubri

2005-01-01

The Mars Electrostatics Chamber (MEC) is an environmental chamber designed primarily to create atmospheric conditions like those at the surface of Mars to support experiments on electrostatic effects in the Martian environment. The chamber is equipped with a vacuum system, a cryogenic cooling system, an atmospheric-gas replenishing and analysis system, and a computerized control system that can be programmed by the user and that provides both automation and options for manual control. The control system can be set to maintain steady Mars-like conditions or to impose temperature and pressure variations of a Mars diurnal cycle at any given season and latitude. In addition, the MEC can be used in other areas of research because it can create steady or varying atmospheric conditions anywhere within the wide temperature, pressure, and composition ranges between the extremes of Mars-like and Earth-like conditions.

Electrostatic powder coating: Principles and pharmaceutical applications.

PubMed

Prasad, Leena Kumari; McGinity, James W; Williams, Robert O

2016-05-30

A majority of pharmaceutical powders are insulating materials that have a tendency to accumulate charge. This phenomenon has contributed to safety hazards and issues during powder handling and processing. However, increased understanding of this occurrence has led to greater understanding and control of processing and product performance. More recently, the charging of pharmaceutical powders has been employed to adopt electrostatic powder coating as a pharmaceutical process. Electrostatic powder coating is a mature technology used in the finishing industry and much of that knowledge applies to its use in pharmaceutical applications. This review will serve to summarize the principles of electrostatic powder coating and highlight some of the research conducted on its use for the preparation of pharmaceutical dosage forms. Copyright © 2016 Elsevier B.V. All rights reserved.

A Feasability Study of the Wheel Electrostatic Spectrometer

NASA Technical Reports Server (NTRS)

Johansen, Michael Ryan; Phillips, James Ralph; Kelley, Joshua David; Mackey, Paul J.; Holbert, Eirik; Clements, Gregory R.; Calle, Carlos I.

2014-01-01

Mars rover missions rely on time-consuming, power-exhausting processes to analyze the Martian regolith. A low power electrostatic sensor in the wheels of a future Mars rover could be used to quickly determine when the rover is driving over a different type of regolith. The Electrostatics and Surface Physics Laboratory at NASA's Kennedy Space Center developed the Wheel Electrostatic Spectrometer as a feasibility study to investigate this option. In this paper, we discuss recent advances in this technology to increase the repeatability of the tribocharging experiments, along with supporting data. In addition, we discuss the development of a static elimination tool optimized for Martian conditions.

A Triboelectric Sensor Array for Electrostatic Studies on the Lunar Surface

NASA Technical Reports Server (NTRS)

Johansen, Michael R.; Mackey, Paul J.; Calle, C. I.

2015-01-01

The moons electrostatic environment requires careful consideration in the development of future lunar landers. Electrostatically charged dust was well documented during the Apollo missions to cause thermal control, mechanical, and visibility issues. The fine dust particles that make up the surface are electrostatically charged as a result of numerous charging mechanisms. The relatively dry conditions on the moon creates a prime tribocharging environment during surface operations. The photoelectric effect is dominant for lunar day static charging, while plasma electrons are the main contributor for lunar night electrostatic effects. Electrostatic charging is also dependent on solar intensity, Earth-moon relative positions, and cosmic ray flux. This leads to a very complex and dynamic electrostatic environment that must be studied for the success of long term lunar missions.In order to better understand the electrostatic environment of planetary bodies, Kennedy Space Center, in previous collaboration with the Jet Propulsion Laboratory, has developed an electrostatic sensor suite. One of the instruments included in this package is the triboelectric sensor array. It is comprised of strategically selected materials that span the triboelectric series and that also have previous spaceflight history. In this presentation, we discuss detailed testing with the triboelectric sensor array performed at Kennedy Space Center. We will discuss potential benefits and use cases of this low mass, low cost sensor package, both for science and for mission success.

A low-g electrostatically actuated resonant switch

NASA Astrophysics Data System (ADS)

Ramini, A.; Younis, M. I.; Su, Q. T.

2013-02-01

This work investigates a new concept of an electrostatically actuated resonant switch (EARS) for earthquake detection and low-g seismic applications. The resonator is designed to operate close to the instability bands of frequency-response curves, where it is forced to collapse dynamically (pull-in) if operated within these bands. By careful tuning, the resonator can be made to enter the pull-in instability zone upon the detection of the earthquake signal, thereby snapping down as an electric switch. Such a switching action can be functionalized for alarming purposes or can be used to activate a network of sensors for seismic activity recording. The EARS is modeled and its dynamic response is simulated using a nonlinear single-degree-of-freedom model. Experimental investigation is conducted demonstrating the EARS’ capability of being triggered at small levels of acceleration as low as 0.02g. Results for the switching events for several levels of low-g accelerations using both theory and experiments are presented and compared.

Electrostatically Embedded Many-Body Approximation for Systems of Water, Ammonia, and Sulfuric Acid and the Dependence of Its Performance on Embedding Charges.

PubMed

Leverentz, Hannah R; Truhlar, Donald G

2009-06-09

This work tests the capability of the electrostatically embedded many-body (EE-MB) method to calculate accurate (relative to conventional calculations carried out at the same level of electronic structure theory and with the same basis set) binding energies of mixed clusters (as large as 9-mers) consisting of water, ammonia, sulfuric acid, and ammonium and bisulfate ions. This work also investigates the dependence of the accuracy of the EE-MB approximation on the type and origin of the charges used for electrostatically embedding these clusters. The conclusions reached are that for all of the clusters and sets of embedding charges studied in this work, the electrostatically embedded three-body (EE-3B) approximation is capable of consistently yielding relative errors of less than 1% and an average relative absolute error of only 0.3%, and that the performance of the EE-MB approximation does not depend strongly on the specific set of embedding charges used. The electrostatically embedded pairwise approximation has errors about an order of magnitude larger than EE-3B. This study also explores the question of why the accuracy of the EE-MB approximation shows such little dependence on the types of embedding charges employed.

Protonmotive force: development of electrostatic drivers for synthetic molecular motors.

PubMed

Crowley, James D; Steele, Ian M; Bosnich, Brice

2006-12-04

Ferrocene has been investigated as a platform for developing protonmotive electrostatic drivers for molecular motors. When two 3-pyridine groups are substituted to the (rapidly rotating) cyclopentadienyl (Cp) rings of ferrocene, one on each Cp, it is shown that the (Cp) eclipsed, pi-stacked rotameric conformation is preferred both in solution and in the solid state. Upon quaternization of both of the pyridines substituents, either by protonation or by alkylation, it is shown that the preferred rotameric conformation is one where the pyridinium groups are rotated away from the fully pi-stacked conformation. Electrostatic calculations indicate that the rotation is caused by the electrostatic repulsion between the charges. Consistently, when the pi-stacking energy is increased pi-stacked population increases, and conversely when the electrostatic repulsion is increased pi-stacked population is decreased. This work serves to provide an approximate estimate of the amount of torque that the electrostatically driven ferrocene platform can generate when incorporated into a molecular motor. The overall conclusion is that the electrostatic interaction energy between dicationic ferrocene dipyridyl systems is similar to the pi-stacking interaction energy and, consequently, at least tricationic systems are required to fully uncouple the pi-stacked pyridine substituents.

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

PubMed

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.

Electrostatic shielding of transformers

DOEpatents

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.

Hydration effects on the electrostatic potential around tuftsin.

PubMed

Valdeavella, C V; Blatt, H D; Yang, L; Pettitt, B M

1999-08-01

The electrostatic potential and component dielectric constants from molecular dynamics (MD) trajectories of tuftsin, a tetrapeptide with the amino acid sequence Thr-Lys-Pro-Arg in water and in saline solution are presented. The results obtained from the analysis of the MD trajectories for the total electrostatic potential at points on a grid using the Ewald technique are compared with the solution to the Poisson-Boltzmann (PB) equation. The latter was solved using several sets of dielectric constant parameters. The effects of structural averaging on the PB results were also considered. Solute conformational mobility in simulations gives rise to an electrostatic potential map around the solute dominated by the solute monopole (or lowest order multipole). The detailed spatial variation of the electrostatic potential on the molecular surface brought about by the compounded effects of the distribution of water and ions close to the peptide, solvent mobility, and solute conformational mobility are not qualitatively reproducible from a reparametrization of the input solute and solvent dielectric constants to the PB equation for a single structure or for structurally averaged PB calculations. Nevertheless, by fitting the PB to the MD electrostatic potential surfaces with the dielectric constants as fitting parameters, we found that the values that give the best fit are the values calculated from the MD trajectories. Implications of using such field calculations on the design of tuftsin peptide analogues are discussed.

Frontier applications of electrostatic accelerators

NASA Astrophysics Data System (ADS)

Liu, Ke-Xin; Wang, Yu-Gang; Fan, Tie-Shuan; Zhang, Guo-Hui; Chen, Jia-Er

2013-10-01

Electrostatic accelerator is a powerful tool in many research fields, such as nuclear physics, radiation biology, material science, archaeology and earth sciences. Two electrostatic accelerators, one is the single stage Van de Graaff with terminal voltage of 4.5 MV and another one is the EN tandem with terminal voltage of 6 MV, were installed in 1980s and had been put into operation since the early 1990s at the Institute of Heavy Ion Physics. Many applications have been carried out since then. These two accelerators are described and summaries of the most important applications on neutron physics and technology, radiation biology and material science, as well as accelerator mass spectrometry (AMS) are presented.

Electrostatic Interactions Between Glycosaminoglycan Molecules

NASA Astrophysics Data System (ADS)

Song, Fan; Moyne, Christian; Bai, Yi-Long

2005-02-01

The electrostatic interactions between nearest-neighbouring chondroitin sulfate glycosaminoglycan (CS-GAG) molecular chains are obtained on the bottle brush conformation of proteoglycan aggrecan based on an asymptotic solution of the Poisson-Boltzmann equation the CS-GAGs satisfy under the physiological conditions of articular cartilage. The present results show that the interactions are associated intimately with the minimum separation distance and mutual angle between the molecular chains themselves. Further analysis indicates that the electrostatic interactions are not only expressed to be purely exponential in separation distance and decrease with the increasing mutual angle but also dependent sensitively on the saline concentration in the electrolyte solution within the tissue, which is in agreement with the existed relevant conclusions.

Electrostatic Inflation of Membrane Space Structures

NASA Astrophysics Data System (ADS)

Stiles, Laura A.

Membrane space structures provide a lightweight and cost effective alternative to traditional mechanical systems. The low-mass and high deployed-to-stored volume ratios allow for larger structures to be launched, expanding on-orbit science and technology capabilities. This research explores a novel method for deployment of membrane space structures using electrostatic pressure as the inflation mechanism. Applying electric charge to a layered gossamer structure provides an inflationary pressure due to the repulsive electrostatic forces between the charged layers. The electrostatic inflation of membrane structures (EIMS) concept is particularly applicable to non-precision structures such as sunshields or drag de-orbiting devices. This research addresses three fundamental topics: necessary conditions for EIMS in a vacuum, necessary conditions for EIMS in a plasma, and charging methods. Vacuum demonstrations show that less than 10 kiloVolts are required for electrostatic inflation of membrane structures in 1-g. On-orbit perturbation forces can be much smaller, suggesting feasible voltage requirements. Numerical simulation enables a relationship between required inflation pressure (to offset disturbances) and voltage. 100's of Volts are required for inflation in geosynchronous orbits (GEO) and a few kiloVolts in low Earth orbit (LEO). While GEO plasma has a small impact on the EIMS performance, Debye shielding at LEO reduces the electrostatic pressure. The classic Debye shielding prediction is far worse than actual shielding, raising the `effective' Debye length to the meter scale in LEO, suggesting feasibility for EIMS in LEO. Charged particle emission and remote charging methods are explored as inflation mechanisms. Secondary electron emission characteristics of EIMS materials were determined experimentally. Nonlinear fits to the Sternglass curve determined a maximum yield of 1.83 at 433 eV for Aluminized Kapton and a maximum yield of 1.78 at 511 eV for Aluminized

KSC Electrostatic Discharge (ESD) Issues

NASA Technical Reports Server (NTRS)

Buhler, Charles

2008-01-01

Discussion of key electrostatic issues that have arisen during the past few years at KSC that the Electrostatics Laboratory has studied. The lab has studied in depth the Space Shuttle's Thermal Control System Blankets, the International Space Station Thermal Blanket, the Pan/Tilt Camera Blankets, the Kapton Purge Barrier Curtain, the Aclar Purge Barrier Curtain, the Thrust Vector Controller Blankets, the Tyvek Reaction Control System covers, the AID-PAK and FLU-9 pyro inflatable devices, the Velostat Solid Rocket Booster mats, and the SCAPE suits. In many cases these materials are insulating meaning that they might be a source of unsafe levels of electrostatic discharge (ESD). For each, the lab provided in-depth testing of each material within its current configuration to ensure that it does not cause an ESD concern that may violate the safety of the astronauts, the workers and equipment for NASA. For example the lab provides unique solutions and testing such as Spark Incendivity Testing that checks whether a material is capable of generating a spark strong enough to ignite a flammable gas. The lab makes recommendations to changes in specifications, procedures, and material if necessary. The lab also consults with a variety of non-safety related ESD issues for the agency.

Monitoring Mars for Electrostatic Disturbances

NASA Technical Reports Server (NTRS)

Compton, D.

2011-01-01

The DSN radio telescope DSS-13 was used to monitor Mars for electrostatic discharges from 17 February to 11 April, 2010, and from 19 April to 4 May, 2011, over a total of 72 sessions. Of these sessions, few showed noteworthy results and no outstanding electrostatic disturbances were observed on Mars from analyzing the kurtosis of radio emission from Mars. Electrostatic discharges on mars were originally detected in June of 2006 by Ruf et al. using DSS-13. he kurtosis (normalized fourth moment of the electrical field strength) is sensitive to non-thermal radiation. Two frequencies bands, either 2.4 and 8.4 GHz or 8.4 and 32 GHz were used. The non-thermal radiation spectrum should have peaks at the lowest three modes of the theoretical Schumann Resonances of Mars. The telescope was pointed away from Mars every 5 minutes for 45 seconds to confirm if Mars was indeed the sources of any events. It was shown that by including a down-link signal in one channel and by observing when the kurtosis changed as the telescope was pointed away from the source that the procedure can monitor Mars without the need of extra equipment monitoring a control source.

Electrostatic sampling of trace DNA from clothing.

PubMed

Zieger, Martin; Defaux, Priscille Merciani; Utz, Silvia

2016-05-01

During acts of physical aggression, offenders frequently come into contact with clothes of the victim, thereby leaving traces of DNA-bearing biological material on the garments. Since tape-lifting and swabbing, the currently established methods for non-destructive trace DNA sampling from clothing, both have their shortcomings in collection efficiency and handling, we thought about a new collection method for these challenging samples. Testing two readily available electrostatic devices for their potential to sample biological material from garments made of different fabrics, we found one of them, the electrostatic dust print lifter (DPL), to perform comparable to well-established sampling with wet cotton swabs. In simulated aggression scenarios, we had the same success rate for the establishment of single aggressor profiles, suitable for database submission, with both the DPL and wet swabbing. However, we lost a substantial amount of information with electrostatic sampling, since almost no mixed aggressor-victim profiles suitable for database entry could be established, compared to conventional swabbing. This study serves as a proof of principle for electrostatic DNA sampling from items of clothing. The technique still requires optimization before it might be used in real casework. But we are confident that in the future it could be an efficient and convenient contribution to the toolbox of forensic practitioners.

Electrostatic effects in the collapse transition of phospholiquid monolayer

NASA Astrophysics Data System (ADS)

Nguyen, Toan T.; Gopal, Ajaykumar; Lee, Ka Yee C.; Witten, Thomas A.

2004-03-01

We study the collapse transition of fluidic phospholipid surfactant monolayers under lateral compression. DMPC, DPPC or POPG surfactants and their binary mixtures are used. Various collapsed structures (circular discs, cylinderical tubes and pearls-on-a-string) were observed during the transition. We show that electrostatics plays an important role in the formation of these structures. By changing the composition of charged surfactant (POGP) or the screening condition of the solution, one can change the dominant collapsed structure from discs to tubes to pearls in the order of increasing the strength of electrostatic interactions, in accordance with theoretical estimates. We also study a complimentary electrostatic effect due charge relaxation in the transitions between these structures. It is shown that free energy gained from relaxations of charge molecule is small and can be neglected when considering electrostatics of these systems.

Electrostatic Solvation Free Energy of Amino Acid Side Chain Analogs: Implications for the Validity of Electrostatic Linear Response in Water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Bin; Pettitt, Bernard M.

Electrostatic free energies of solvation for 15 neutral amino acid side chain analogs are computed. We compare three methods of varying computational complexity and accuracy for three force fields: free energy simulations, Poisson-Boltzmann (PB), and linear response approximation (LRA) using AMBER, CHARMM, and OPLSAA force fields. We find that deviations from simulation start at low charges for solutes. The approximate PB and LRA produce an overestimation of electrostatic solvation free energies for most of molecules studied here. These deviations are remarkably systematic. The variations among force fields are almost as large as the variations found among methods. Our study confirmsmore » that success of the approximate methods for electrostatic solvation free energies comes from their ability to evaluate free energy differences accurately.« less

Electrostatically clean solar array

NASA Technical Reports Server (NTRS)

Stern, Theodore Garry (Inventor); Krumweide, Duane Eric (Inventor)

2004-01-01

Provided are methods of manufacturing an electrostatically clean solar array panel and the products resulting from the practice of these methods. The preferred method uses an array of solar cells, each with a coverglass where the method includes machining apertures into a flat, electrically conductive sheet so that each aperture is aligned with and undersized with respect to its matched coverglass sheet and thereby fashion a front side shield with apertures (FSA). The undersized portion about each aperture of the bottom side of the FSA shield is bonded to the topside portions nearest the edges of each aperture's matched coverglass. Edge clips are attached to the front side aperture shield edges with the edge clips electrically and mechanically connecting the tops of the coverglasses to the solar panel substrate. The FSA shield, edge clips and substrate edges are bonded so as to produce a conductively grounded electrostatically clean solar array panel.

Characterizing the Performance of the Wheel Electrostatic Spectrometer

NASA Technical Reports Server (NTRS)

Johansen, Michael R.; Mackey, P. J.; Holbert, E.; Calle, C. I.; Clements, J. S.

2013-01-01

Insulators need to be discharged after each wheel revolution. Sensor responses repeatable within one standard deviation in the noise of the signal. Insulators may not need to be cleaned after each revolution. Parent Technology- Mars Environmental Compatibility Assessment/Electrometer Electrostatic sensors with dissimilar cover insulators Protruding insulators tribocharge against regolith simulant Developed for use on the scoop for the 2001 Mars Odyssey lander Wheel Electrostatic Spectrometer Embedded electrostatic sensors in prototype Martian rover wheel If successful, this technology will enable constant electrostatic testing on Mars Air ionizing fan used to neutralize the surface charge on cover insulators . WES rolled on JSClA lunar simulant Control experiment -Static elimination not conducted between trials -Capacitor discharged after each experiment Charge neutralization experiment -Static elimination conducted between trials -Capacitor discharged after each experiment. Air ionizing fan used on insulators after each wheel revolution Capacitor discharged after each trial Care was taken to roll WES with same speed/pressure Error bars represent one standard deviation in the noise of e ach sensor

Kinesin motor protein as an electrostatic ratchet machine

NASA Astrophysics Data System (ADS)

Tsironis, George; Ciudad, Aleix; Sancho, Jose Maria

2008-03-01

Kinesin and related motor proteins utilize ATP fuel to propel themselves along the external surface of microtubules in a processive and directional fashion. We show that the observed step-like motion is possible through time varying charge distributions furnished by the ATP hydrolysis circle while the static charge configuration on the microtuble provides the guide for motion. Thus, while the chemical hydrolysis energy induces appropriate local conformational changes, the motor translational energy is fundamentally electrostatic. Numerical simulations of the mechanical equations of motion show that processivity and directionality are direct consequences of the ATP-dependent electrostatic interaction between the different charge distributions of kinesin and microtubule. Treating proterins as continuous dielectric media and using a Green's function formalism we find analytical expressions for the electrostatic energy in the vicinity of the protein surfaces. We calculate the Bjerrum length in the interior of the protein and analyze its dependence on the charge proximity to the protein interface. We apply these results to kinesin and estimate the pure electrostatic ATP-ADP interaction to be larger than 2k T.

Variable stiffness sandwich panels using electrostatic interlocking core

NASA Astrophysics Data System (ADS)

Heath, Callum J. C.; Bond, Ian P.; Potter, Kevin D.

2016-04-01

Structural topology has a large impact on the flexural stiffness of a beam structure. Reversible attachment between discrete substructures allows for control of shear stress transfer between structural elements, thus stiffness modulation. Electrostatic adhesion has shown promise for providing a reversible latching mechanism for controllable internal connectivity. Building on previous research, a thin film copper polyimide laminate has been used to incorporate high voltage electrodes to Fibre Reinforced Polymer (FRP) sandwich structures. The level of electrostatic holding force across the electrode interface is key to the achievable level of stiffness modulation. The use of non-flat interlocking core structures can allow for a significant increase in electrode contact area for a given core geometry, thus a greater electrostatic holding force. Interlocking core geometries based on cosine waves can be Computer Numerical Control (CNC) machined from Rohacell IGF 110 Foam core. These Interlocking Core structures could allow for enhanced variable stiffness functionality compared to basic planar electrodes. This novel concept could open up potential new applications for electrostatically induced variable stiffness structures.

Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory.

PubMed

Bardhan, Jaydeep P

2008-10-14

The importance of molecular electrostatic interactions in aqueous solution has motivated extensive research into physical models and numerical methods for their estimation. The computational costs associated with simulations that include many explicit water molecules have driven the development of implicit-solvent models, with generalized-Born (GB) models among the most popular of these. In this paper, we analyze a boundary-integral equation interpretation for the Coulomb-field approximation (CFA), which plays a central role in most GB models. This interpretation offers new insights into the nature of the CFA, which traditionally has been assessed using only a single point charge in the solute. The boundary-integral interpretation of the CFA allows the use of multiple point charges, or even continuous charge distributions, leading naturally to methods that eliminate the interpolation inaccuracies associated with the Still equation. This approach, which we call boundary-integral-based electrostatic estimation by the CFA (BIBEE/CFA), is most accurate when the molecular charge distribution generates a smooth normal displacement field at the solute-solvent boundary, and CFA-based GB methods perform similarly. Conversely, both methods are least accurate for charge distributions that give rise to rapidly varying or highly localized normal displacement fields. Supporting this analysis are comparisons of the reaction-potential matrices calculated using GB methods and boundary-element-method (BEM) simulations. An approximation similar to BIBEE/CFA exhibits complementary behavior, with superior accuracy for charge distributions that generate rapidly varying normal fields and poorer accuracy for distributions that produce smooth fields. This approximation, BIBEE by preconditioning (BIBEE/P), essentially generates initial guesses for preconditioned Krylov-subspace iterative BEMs. Thus, iterative refinement of the BIBEE/P results recovers the BEM solution; excellent agreement

Chameleon gravity, electrostatics, and kinematics in the outer galaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pourhasan, R.; Mann, R.B.; Afshordi, N.

2011-12-01

Light scalar fields are expected to arise in theories of high energy physics (such as string theory), and find phenomenological motivations in dark energy, dark matter, or neutrino physics. However, the coupling of light scalar fields to ordinary (or dark) matter is strongly constrained from laboratory, solar system, and astrophysical tests of the fifth force. One way to evade these constraints in dense environments is through the chameleon mechanism, where the field's mass steeply increases with ambient density. Consequently, the chameleonic force is only sourced by a thin shell near the surface of dense objects, which significantly reduces its magnitude.more » In this paper, we argue that thin-shell conditions are equivalent to ''conducting'' boundary conditions in electrostatics. As an application, we use the analogue of the method of images to calculate the back-reaction (or self-force) of an object around a spherical gravitational source. Using this method, we can explicitly compute the violation of the equivalence principle in the outskirts of galactic haloes (assuming an NFW dark matter profile): Intermediate mass satellites can be slower than their larger/smaller counterparts by as much as 10% close to a thin shell.« less

Electrostatic similarity of proteins: Application of three dimensional spherical harmonic decomposition

PubMed Central

Długosz, Maciej; Trylska, Joanna

2008-01-01

We present a method for describing and comparing global electrostatic properties of biomolecules based on the spherical harmonic decomposition of electrostatic potential data. Unlike other approaches our method does not require any prior three dimensional structural alignment. The electrostatic potential, given as a volumetric data set from a numerical solution of the Poisson or Poisson–Boltzmann equation, is represented with descriptors that are rotation invariant. The method can be applied to large and structurally diverse sets of biomolecules enabling to cluster them according to their electrostatic features. PMID:18624502

Mass and Magnetic Field Dependence of Electrostatic Particle Transport and Turbulence in LAPD-U

NASA Astrophysics Data System (ADS)

Crocker, N. A.; Gilmore, M.; Peebles, W. A.; Will, S.; Nguyen, X. V.; Carter, T. A.

2003-10-01

The scaling of particle transport with ion mass and magnetic field strength remains an open question in plasma research. Direct comparison of experiment with theory is often complicated by inability to significantly vary critical parameters such as ion mass, pressure gradient, ion gyro-radius, etc. The LAPD-U magnetized, linear plasma at UCLA provides the ideal platform for such studies, allowing large parameter variation. The magnetic field in LAPD-U can be varied over a range of 500 - 1500 G, while ion species can be varied to change mass by a factor of at least 10. In addition, ion gyro-radii are small compared to the plasma diameter ( 1 m). Cross-field transport in LAPD-U is thought to be caused by electrostatic turbulence, also a leading candidate for transport in fusion plasmas. It is planned, therefore, to investigate turbulence and transport characteristics as a function of parameter space. In particular, measurement of the mass and magnetic field dependence of electrostatic particle transport and turbulence characteristics in LAPD-U will be presented.

Are electrostatic potentials between regions of different chemical composition measurable? The Gibbs-Guggenheim Principle reconsidered, extended and its consequences revisited.

PubMed

Pethica, Brian A

2007-12-21

As indicated by Gibbs and made explicit by Guggenheim, the electrical potential difference between two regions of different chemical composition cannot be measured. The Gibbs-Guggenheim Principle restricts the use of classical electrostatics in electrochemical theories as thermodynamically unsound with some few approximate exceptions, notably for dilute electrolyte solutions and concomitant low potentials where the linear limit for the exponential of the relevant Boltzmann distribution applies. The Principle invalidates the widespread use of forms of the Poisson-Boltzmann equation which do not include the non-electrostatic components of the chemical potentials of the ions. From a thermodynamic analysis of the parallel plate electrical condenser, employing only measurable electrical quantities and taking into account the chemical potentials of the components of the dielectric and their adsorption at the surfaces of the condenser plates, an experimental procedure to provide exceptions to the Principle has been proposed. This procedure is now reconsidered and rejected. No other related experimental procedures circumvent the Principle. Widely-used theoretical descriptions of electrolyte solutions, charged surfaces and colloid dispersions which neglect the Principle are briefly discussed. MD methods avoid the limitations of the Poisson-Bolzmann equation. Theoretical models which include the non-electrostatic components of the inter-ion and ion-surface interactions in solutions and colloid systems assume the additivity of dispersion and electrostatic forces. An experimental procedure to test this assumption is identified from the thermodynamics of condensers at microscopic plate separations. The available experimental data from Kelvin probe studies are preliminary, but tend against additivity. A corollary to the Gibbs-Guggenheim Principle is enunciated, and the Principle is restated that for any charged species, neither the difference in electrostatic potential nor the

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

NASA Astrophysics Data System (ADS)

Zahid, F.; Paulsson, M.; Polizzi, E.; Ghosh, A. W.; Siddiqui, L.; Datta, S.

2005-08-01

We present a transport model for molecular conduction involving an extended Hückel theoretical treatment of the molecular chemistry combined with a nonequilibrium Green's function treatment of quantum transport. The self-consistent potential is approximated by CNDO (complete neglect of differential 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 configurations employing only a single adjustable parameter to locate the Fermi energy. As this model is based on semiempirical methods it is computationally inexpensive and flexible compared to ab initio models, yet at the same time it is able to capture salient qualitative features as well as several relevant quantitative details of transport. We apply our model to investigate recent experimental data on alkane dithiol molecules obtained in a nanopore setup. We also present a comparison study of single molecule transistors and identify electronic properties that control their performance.

Theory of fiber reinforced materials

NASA Technical Reports Server (NTRS)

Hashin, Z.

1972-01-01

A unified and rational treatment of the theory of fiber reinforced composite materials is presented. Fundamental geometric and elasticity considerations are throughly covered, and detailed derivations of the effective elastic moduli for these materials are presented. Biaxially reinforced materials which take the form of laminates are then discussed. Based on the fundamentals presented in the first portion of this volume, the theory of fiber-reinforced composite materials is extended to include viscoelastic and thermoelastic properties. Thermal and electrical conduction, electrostatics and magnetostatics behavior of these materials are discussed. Finally, a brief statement of the very difficult subject of physical strength is included.

Ballistic Jumping Drops on Superhydrophobic Surfaces via Electrostatic Manipulation.

PubMed

Li, Ning; Wu, Lei; Yu, Cunlong; Dai, Haoyu; Wang, Ting; Dong, Zhichao; Jiang, Lei

2018-02-01

The ballistic ejection of liquid drops by electrostatic manipulating has both fundamental and practical implications, from raindrops in thunderclouds to self-cleaning, anti-icing, condensation, and heat transfer enhancements. In this paper, the ballistic jumping behavior of liquid drops from a superhydrophobic surface is investigated. Powered by the repulsion of the same kind of charges, water drops can jump from the surface. The electrostatic acting time for the jumping of a microliter supercooled drop only takes several milliseconds, even shorter than the time for icing. In addition, one can control the ballistic jumping direction precisely by the relative position above the electrostatic field. The approach offers a facile method that can be used to manipulate the ballistic drop jumping via an electrostatic field, opening the possibility of energy efficient drop detaching techniques in various applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electrostatic interactions between diffuse soft multi-layered (bio)particles: beyond Debye-Hückel approximation and Deryagin formulation.

PubMed

Duval, Jérôme F L; Merlin, Jenny; Narayana, Puranam A L

2011-01-21

We report a steady-state theory for the evaluation of electrostatic interactions between identical or dissimilar spherical soft multi-layered (bio)particles, e.g. microgels or microorganisms. These generally consist of a rigid core surrounded by concentric ion-permeable layers that may differ in thickness, soft material density, chemical composition and degree of dissociation for the ionogenic groups. The formalism allows the account of diffuse interphases where distributions of ionogenic groups from one layer to the other are position-dependent. The model is valid for any number of ion-permeable layers around the core of the interacting soft particles and covers all limiting situations in terms of nature of interacting particles, i.e. homo- and hetero-interactions between hard, soft or entirely porous colloids. The theory is based on a rigorous numerical solution of the non-linearized Poisson-Boltzmann equation including radial and angular distortions of the electric field distribution within and outside the interacting soft particles in approach. The Gibbs energy of electrostatic interaction is obtained from a general expression derived following the method by Verwey and Overbeek based on appropriate electric double layer charging mechanisms. Original analytical solutions are provided here for cases where interaction takes place between soft multi-layered particles whose size and charge density are in line with Deryagin treatment and Debye-Hückel approximation. These situations include interactions between hard and soft particles, hard plate and soft particle or soft plate and soft particle. The flexibility of the formalism is highlighted by the discussion of few situations which clearly illustrate that electrostatic interaction between multi-layered particles may be partly or predominantly governed by potential distribution within the most internal layers. A major consequence is that both amplitude and sign of Gibbs electrostatic interaction energy may

Boundary condition for Ginzburg-Landau theory of superconducting layers

NASA Astrophysics Data System (ADS)

Koláček, Jan; Lipavský, Pavel; Morawetz, Klaus; Brandt, Ernst Helmut

2009-05-01

Electrostatic charging changes the critical temperature of superconducting thin layers. To understand the basic mechanism, it is possible to use the Ginzburg-Landau theory with the boundary condition derived by de Gennes from the BCS theory. Here we show that a similar boundary condition can be obtained from the principle of minimum free energy. We compare the two boundary conditions and use the Budd-Vannimenus theorem as a test of approximations.

Electrostatic Hellmann-Feynman theorem applied to long-range interatomic forces - The hydrogen molecule.

NASA Technical Reports Server (NTRS)

Steiner, E.

1973-01-01

The use of the electrostatic Hellmann-Feynman theorem for the calculation of the leading term in the 1/R expansion of the force of interaction between two well-separated hydrogen atoms is discussed. Previous work has suggested that whereas this term is determined wholly by the first-order wavefunction when calculated by perturbation theory, the use of the Hellmann-Feynman theorem apparently requires the wavefunction through second order. It is shown how the two results may be reconciled and that the Hellmann-Feynman theorem may be reformulated in such a way that only the first-order wavefunction is required.

Anomalous momentum and energy transfer rates for electrostatic ion-cyclotron turbulence in downward auroral-current regions of the Earth's magnetosphere. III

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jasperse, John R.; Basu, Bamandas; Lund, Eric J.

2010-06-15

Recently, a new multimoment fluid theory was developed for inhomogeneous, nonuniformly magnetized plasma in the guiding-center and gyrotropic approximation that includes the effect of electrostatic, turbulent, wave-particle interactions (see Jasperse et al. [Phys. Plasmas 13, 072903 (2006); ibid.13, 112902 (2006)]). In the present paper, which is intended as a sequel, it is concluded from FAST satellite data that the electrostatic ion-cyclotron turbulence that appears is due to the operation of an electron, bump-on-tail-driven ion-cyclotron instability for downward currents in the long-range potential region of the Earth's magnetosphere. Approximate closed-form expressions for the anomalous momentum and energy transfer rates for themore » ion-cyclotron turbulence are obtained. The turbulent, inhomogeneous, nonuniformly magnetized, multimoment fluid theory given above, in the limit of a turbulent, homogeneous, uniformly magnetized, quasisteady plasma, yields the well-known formula for the anomalous resistivity given by Gary and Paul [Phys. Rev. Lett. 26, 1097 (1971)] and Tange and Ichimaru [J. Phys. Soc. Jpn. 36, 1437 (1974)].« less

The effective χ parameter in polarizable polymeric systems: One-loop perturbation theory and field-theoretic simulations.

PubMed

Grzetic, Douglas J; Delaney, Kris T; Fredrickson, Glenn H

2018-05-28

We derive the effective Flory-Huggins parameter in polarizable polymeric systems, within a recently introduced polarizable field theory framework. The incorporation of bead polarizabilities in the model self-consistently embeds dielectric response, as well as van der Waals interactions. The latter generate a χ parameter (denoted χ̃) between any two species with polarizability contrast. Using one-loop perturbation theory, we compute corrections to the structure factor Sk and the dielectric function ϵ^(k) for a polarizable binary homopolymer blend in the one-phase region of the phase diagram. The electrostatic corrections to S(k) can be entirely accounted for by a renormalization of the excluded volume parameter B into three van der Waals-corrected parameters B AA , B AB , and B BB , which then determine χ̃. The one-loop theory not only enables the quantitative prediction of χ̃ but also provides useful insight into the dependence of χ̃ on the electrostatic environment (for example, its sensitivity to electrostatic screening). The unapproximated polarizable field theory is amenable to direct simulation via complex Langevin sampling, which we employ here to test the validity of the one-loop results. From simulations of S(k) and ϵ^(k) for a system of polarizable homopolymers, we find that the one-loop theory is best suited to high concentrations, where it performs very well. Finally, we measure χ̃N in simulations of a polarizable diblock copolymer melt and obtain excellent agreement with the one-loop theory. These constitute the first fully fluctuating simulations conducted within the polarizable field theory framework.

The effective χ parameter in polarizable polymeric systems: One-loop perturbation theory and field-theoretic simulations

NASA Astrophysics Data System (ADS)

Grzetic, Douglas J.; Delaney, Kris T.; Fredrickson, Glenn H.

2018-05-01

We derive the effective Flory-Huggins parameter in polarizable polymeric systems, within a recently introduced polarizable field theory framework. The incorporation of bead polarizabilities in the model self-consistently embeds dielectric response, as well as van der Waals interactions. The latter generate a χ parameter (denoted χ ˜ ) between any two species with polarizability contrast. Using one-loop perturbation theory, we compute corrections to the structure factor S (k ) and the dielectric function ɛ ^ (k ) for a polarizable binary homopolymer blend in the one-phase region of the phase diagram. The electrostatic corrections to S(k) can be entirely accounted for by a renormalization of the excluded volume parameter B into three van der Waals-corrected parameters BAA, BAB, and BBB, which then determine χ ˜ . The one-loop theory not only enables the quantitative prediction of χ ˜ but also provides useful insight into the dependence of χ ˜ on the electrostatic environment (for example, its sensitivity to electrostatic screening). The unapproximated polarizable field theory is amenable to direct simulation via complex Langevin sampling, which we employ here to test the validity of the one-loop results. From simulations of S(k) and ɛ ^ (k ) for a system of polarizable homopolymers, we find that the one-loop theory is best suited to high concentrations, where it performs very well. Finally, we measure χ ˜ N in simulations of a polarizable diblock copolymer melt and obtain excellent agreement with the one-loop theory. These constitute the first fully fluctuating simulations conducted within the polarizable field theory framework.

Improved Electrostatic Optical System

NASA Technical Reports Server (NTRS)

Lewis, B. F.

1984-01-01

Device suitable for molecular epitaxial formation of semiconductor components. Improved electrostatic lens system uses cylindrical mirror as central element between two tubular lenses. Abberations introduced by mirror tend to cancel those introduced by tubular lenses. Result is order-of-magnitude improvement in chromatic or spherical compensation.

Multipolar electrostatics based on the Kriging machine learning method: an application to serine.

PubMed

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

2014-04-01

A multipolar, polarizable electrostatic method for future use in a novel force field is described. Quantum Chemical Topology (QCT) is used to partition the electron density of a chemical system into atoms, then the machine learning method Kriging is used to build models that relate the multipole moments of the atoms to the positions of their surrounding nuclei. The pilot system serine is used to study both the influence of the level of theory and the set of data generator methods used. The latter consists of: (i) sampling of protein structures deposited in the Protein Data Bank (PDB), or (ii) normal mode distortion along either (a) Cartesian coordinates, or (b) redundant internal coordinates. Wavefunctions for the sampled geometries were obtained at the HF/6-31G(d,p), B3LYP/apc-1, and MP2/cc-pVDZ levels of theory, prior to calculation of the atomic multipole moments by volume integration. The average absolute error (over an independent test set of conformations) in the total atom-atom electrostatic interaction energy of serine, using Kriging models built with the three data generator methods is 11.3 kJ mol⁻¹ (PDB), 8.2 kJ mol⁻¹ (Cartesian distortion), and 10.1 kJ mol⁻¹ (redundant internal distortion) at the HF/6-31G(d,p) level. At the B3LYP/apc-1 level, the respective errors are 7.7 kJ mol⁻¹, 6.7 kJ mol⁻¹, and 4.9 kJ mol⁻¹, while at the MP2/cc-pVDZ level they are 6.5 kJ mol⁻¹, 5.3 kJ mol⁻¹, and 4.0 kJ mol⁻¹. The ranges of geometries generated by the redundant internal coordinate distortion and by extraction from the PDB are much wider than the range generated by Cartesian distortion. The atomic multipole moment and electrostatic interaction energy predictions for the B3LYP/apc-1 and MP2/cc-pVDZ levels are similar, and both are better than the corresponding predictions at the HF/6-31G(d,p) level.

On-Orbit 3-Dimensional Electrostatic Detumble for Generic Spacecraft Geometries

NASA Astrophysics Data System (ADS)

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

ELISA - an electrostatic storage ring for low-energy ions

NASA Astrophysics Data System (ADS)

Pape Moeller, Soeren

1997-05-01

The design of a new type of storage ring for low-energy ions using electrostatic deflection and focusing devices is described. Electrostatic bends and quadrupoles are used since they are more efficient than magnetic ones for low-velocity heavy ions. Furthermore, electrostatic devices are more compact and easier to construct than magnetic devices. In comparison to an electromagnetic trap, one important advantage of the elecrostatic ring is the easy access to the circulating beam and its decay products. These and other features, e.g. no magnetic fields, makes such storage devices attractive for many atomic-physics experiments. Also neigboring fields as chemistry and biology might benefit from such an relatively inexpensive device. One important difference between an electrostatic and a magnetic ring is, that the longitudinal energy is not conserved for the electrostatic ring. The actual ring will have a race-track shape as defined by two straight sections each with two quadrupole doublets connected by 180-degrees bends. The bends will consist of 160-degrees spherical deflection plates surrounded by two parallel plate 10-degrees bends. The storage ring ELISA, currently being built, will have a circumference of 6 meters. The first beam tests will take place during summer 1996.

Electrostatics of Pharmaceutical Aerosols for Pulmonary Delivery.

PubMed

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.

Electrostatic transfer of epitaxial graphene to glass.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ohta, Taisuke; Pan, Wei; Howell, Stephen Wayne

2010-12-01

We report on a scalable electrostatic process to transfer epitaxial graphene to arbitrary glass substrates, including Pyrex and Zerodur. This transfer process could enable wafer-level integration of graphene with structured and electronically-active substrates such as MEMS and CMOS. We will describe the electrostatic transfer method and will compare the properties of the transferred graphene with nominally-equivalent 'as-grown' epitaxial graphene on SiC. The electronic properties of the graphene will be measured using magnetoresistive, four-probe, and graphene field effect transistor geometries [1]. To begin, high-quality epitaxial graphene (mobility 14,000 cm2/Vs and domains >100 {micro}m2) is grown on SiC in an argon-mediated environmentmore » [2,3]. The electrostatic transfer then takes place through the application of a large electric field between the donor graphene sample (anode) and the heated acceptor glass substrate (cathode). Using this electrostatic technique, both patterned few-layer graphene from SiC(000-1) and chip-scale monolayer graphene from SiC(0001) are transferred to Pyrex and Zerodur substrates. Subsequent examination of the transferred graphene by Raman spectroscopy confirms that the graphene can be transferred without inducing defects. Furthermore, the strain inherent in epitaxial graphene on SiC(0001) is found to be partially relaxed after the transfer to the glass substrates.« less

Electrostatically tunable resonance frequency beam utilizing a stress-sensitive film

DOEpatents

Thundat, Thomas G.; Wachter, Eric A.; Davis, J. Kenneth

2001-01-01

Methods and apparatus for detecting particular frequencies of acoustic vibration utilize an electrostatically-tunable beam element having a stress-sensitive coating and means for providing electrostatic force to controllably deflect the beam element thereby changing its stiffness and its resonance frequency. It is then determined from the response of the electrostatically-tunable beam element to the acoustical vibration to which the beam is exposed whether or not a particular frequency or frequencies of acoustic vibration are detected.

Reactivity of etoricoxib based on computational study of molecular orbitals, molecular electrostatic potential surface and Mulliken charge analysis

NASA Astrophysics Data System (ADS)

Sachdeva, Ritika; Soni, Abhinav; Singh, V. P.; Saini, G. S. S.

2018-05-01

Etoricoxib is one of the selective cyclooxygenase inhibitor drug which plays a significant role in the pharmacological management of arthritis and pain. The theoretical investigation of its reactivity is done using Density Functional Theory calculations. Molecular Electrostatic Potential Surface of etoricoxib and its Mulliken atomic charge distribution are used for the prediction of its electrophilic and nucleophilic sites. The detailed analysis of its frontier molecular orbitals is also done.

AESOP: A Python Library for Investigating Electrostatics in Protein Interactions.

PubMed

Harrison, Reed E S; Mohan, Rohith R; Gorham, Ronald D; Kieslich, Chris A; Morikis, Dimitrios

2017-05-09

Electric fields often play a role in guiding the association of protein complexes. Such interactions can be further engineered to accelerate complex association, resulting in protein systems with increased productivity. This is especially true for enzymes where reaction rates are typically diffusion limited. To facilitate quantitative comparisons of electrostatics in protein families and to describe electrostatic contributions of individual amino acids, we previously developed a computational framework called AESOP. We now implement this computational tool in Python with increased usability and the capability of performing calculations in parallel. AESOP utilizes PDB2PQR and Adaptive Poisson-Boltzmann Solver to generate grid-based electrostatic potential files for protein structures provided by the end user. There are methods within AESOP for quantitatively comparing sets of grid-based electrostatic potentials in terms of similarity or generating ensembles of electrostatic potential files for a library of mutants to quantify the effects of perturbations in protein structure and protein-protein association. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Electrostatic potential of B-DNA: effect of interionic correlations.

PubMed Central

Gavryushov, S; Zielenkiewicz, P

1998-01-01

Modified Poisson-Boltzmann (MPB) equations have been numerically solved to study ionic distributions and mean electrostatic potentials around a macromolecule of arbitrarily complex shape and charge distribution. Results for DNA are compared with those obtained by classical Poisson-Boltzmann (PB) calculations. The comparisons were made for 1:1 and 2:1 electrolytes at ionic strengths up to 1 M. It is found that ion-image charge interactions and interionic correlations, which are neglected by the PB equation, have relatively weak effects on the electrostatic potential at charged groups of the DNA. The PB equation predicts errors in the long-range electrostatic part of the free energy that are only approximately 1.5 kJ/mol per nucleotide even in the case of an asymmetrical electrolyte. In contrast, the spatial correlations between ions drastically affect the electrostatic potential at significant separations from the macromolecule leading to a clearly predicted effect of charge overneutralization. PMID:9826596

Operation of electrothermal and electrostatic MUMPs microactuators underwater

NASA Astrophysics Data System (ADS)

Sameoto, Dan; Hubbard, Ted; Kujath, Marek

2004-10-01

Surface-micromachined actuators made in multi-user MEMS processes (MUMPs) have been operated underwater without modifying the manufacturing process. Such actuators have generally been either electro-thermally or electro-statically actuated and both actuator styles are tested here for suitability underwater. This is believed to be the first time that thermal and electrostatic actuators have been compared for deflection underwater relative to air performance. A high-frequency ac square wave is used to replicate a dc-driven actuator output without the associated problem of electrolysis in water. This method of ac activation, with frequencies far above the mechanical resonance frequencies of the MEMS actuators, has been termed root mean square (RMS) operation. Both thermal and electrostatic actuators have been tested and proved to work using RMS control. Underwater performance has been evaluated by using in-air operation of these actuators as a benchmark. When comparing deflection per volt applied, thermal actuators operate between 5 and 9% of in-air deflection and electrostatic actuators show an improvement in force per volt applied of upwards of 6000%. These results agree with predictions based on the physical properties of the surrounding medium.

Improving the treatment of coarse-grain electrostatics: CVCEL.

PubMed

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.

Turbulent particulate transportation during electrostatic precipitation

NASA Astrophysics Data System (ADS)

Choi, Bum Seog

The generation of secondary flows and turbulence by a corona discharge influences particle transport in an electrostatic precipitator (ESP), and is known to play an important role in the particle collection process. However, it is difficult to characterise theoretically and experimentally the ``turbulent'' fluctuations of the gas flow produced by negative tuft corona. Because of this difficulty, only limited studies have been undertaken previously to understand the structure of corona-induced turbulence and its influence on particle transport in ESPs. The present study is aimed at modelling electrohydrodynamic turbulent flows and particle transport, and at establishing an unproved understanding of them. For a multiply interactive coupling of electrostatics, fluid dynamics and particle dynamics, a strongly coupled system of the governing equations has been solved. The present computer model has considered the most important interaction mechanisms including an ionic wind, corona- induced turbulence and the particle space charge effect. Numerical simulations have been performed for the extensive validation of the numerical and physical models. To account for electrically excited turbulence associated with the inhomogeneous and unsteady characteristics of negative corona discharges, a new turbulence model (called the electrostatic turbulence model) has been developed. In this, an additional production or destruction term is included into the turbulent kinetic energy and dissipation rate equations. It employs a gradient type model of the current density and an electrostatic diffusivity concept. The results of the computation show that the electrostatic turbulence model gives much better agreement with the experimental data than the conventional RNG k-ɛ turbulence model when predicting turbulent gas flows and particle distributions in an ESP. Computations of turbulent particulate two-phase flows for both mono-dispersed and poly-dispersed particles have been performed

Biomolecular electrostatics and solvation: a computational perspective

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Pengyu; Chun, Jaehun; Thomas, Dennis G.

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. Thismore » review discusses the solvation of biomolecules with a computational biophysics view towards describing the phenomenon. While our main focus lies on the computational aspect of the models, we summarize the common characteristics of biomolecular solvation (e.g., solvent structure, polarization, ion binding, and nonpolar behavior) in order to provide reasonable backgrounds to understand the solvation models.« less

Biomolecular electrostatics and solvation: a computational perspective

PubMed Central

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

2012-01-01

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 towards 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 nonpolar behavior) in order to provide a background to understand the different types of solvation models. PMID:23217364

Biomolecular electrostatics and solvation: a computational perspective.

PubMed

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.

VASP-E: Specificity Annotation with a Volumetric Analysis of Electrostatic Isopotentials

PubMed Central

Chen, Brian Y.

2014-01-01

Algorithms for comparing protein structure are frequently used for function annotation. By searching for subtle similarities among very different proteins, these algorithms can identify remote homologs with similar biological functions. In contrast, few comparison algorithms focus on specificity annotation, where the identification of subtle differences among very similar proteins can assist in finding small structural variations that create differences in binding specificity. Few specificity annotation methods consider electrostatic fields, which play a critical role in molecular recognition. To fill this gap, this paper describes VASP-E (Volumetric Analysis of Surface Properties with Electrostatics), a novel volumetric comparison tool based on the electrostatic comparison of protein-ligand and protein-protein binding sites. VASP-E exploits the central observation that three dimensional solids can be used to fully represent and compare both electrostatic isopotentials and molecular surfaces. With this integrated representation, VASP-E is able to dissect the electrostatic environments of protein-ligand and protein-protein binding interfaces, identifying individual amino acids that have an electrostatic influence on binding specificity. VASP-E was used to examine a nonredundant subset of the serine and cysteine proteases as well as the barnase-barstar and Rap1a-raf complexes. Based on amino acids established by various experimental studies to have an electrostatic influence on binding specificity, VASP-E identified electrostatically influential amino acids with 100% precision and 83.3% recall. We also show that VASP-E can accurately classify closely related ligand binding cavities into groups with different binding preferences. These results suggest that VASP-E should prove a useful tool for the characterization of specific binding and the engineering of binding preferences in proteins. PMID:25166865

Electrostatic demonstration of free-fall weightlessness

NASA Astrophysics Data System (ADS)

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.

Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration.

PubMed

Fenn, Timothy D; Schnieders, Michael J; Mustyakimov, Marat; Wu, Chuanjie; Langan, Paul; Pande, Vijay S; Brunger, Axel T

2011-04-13

Most current crystallographic structure refinements augment the diffraction data with a priori information consisting of bond, angle, dihedral, planarity restraints, and atomic repulsion based on the Pauli exclusion principle. Yet, electrostatics and van der Waals attraction are physical forces that provide additional a priori information. Here, we assess the inclusion of electrostatics for the force field used for all-atom (including hydrogen) joint neutron/X-ray refinement. Two DNA and a protein crystal structure were refined against joint neutron/X-ray diffraction data sets using force fields without electrostatics or with electrostatics. Hydrogen-bond orientation/geometry favors the inclusion of electrostatics. Refinement of Z-DNA with electrostatics leads to a hypothesis for the entropic stabilization of Z-DNA that may partly explain the thermodynamics of converting the B form of DNA to its Z form. Thus, inclusion of electrostatics assists joint neutron/X-ray refinements, especially for placing and orienting hydrogen atoms. Copyright © 2011 Elsevier Ltd. All rights reserved.

Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA Hydration

PubMed Central

Fenn, Timothy D.; Schnieders, Michael J.; Mustyakimov, Marat; Wu, Chuanjie; Langan, Paul; Pande, Vijay S.; Brunger, Axel T.

2011-01-01

Summary Most current crystallographic structure refinements augment the diffraction data with a priori information consisting of bond, angle, dihedral, planarity restraints and atomic repulsion based on the Pauli exclusion principle. Yet, electrostatics and van der Waals attraction are physical forces that provide additional a priori information. Here we assess the inclusion of electrostatics for the force field used for all-atom (including hydrogen) joint neutron/X-ray refinement. Two DNA and a protein crystal structure were refined against joint neutron/X-ray diffraction data sets using force fields without electrostatics or with electrostatics. Hydrogen bond orientation/geometry favors the inclusion of electrostatics. Refinement of Z-DNA with electrostatics leads to a hypothesis for the entropic stabilization of Z-DNA that may partly explain the thermodynamics of converting the B form of DNA to its Z form. Thus, inclusion of electrostatics assists joint neutron/X-ray refinements, especially for placing and orienting hydrogen atoms. PMID:21481775

ELECTROSTATIC SURFACE STRUCTURES OF COAL AND MINERAL PARTICLES

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

It is the purpose of this research to study electrostatic charging mechanisms related to electrostatic beneficiation of coal with the goal of improving models of separation and the design of electrostatic separators. Areas addressed in this technical progress report are (a) electrostatic beneficiation of Pittsburgh #8 coal powders as a function of grind size and processing atmosphere; (b) the use of fluorescent micro-spheres to probe the charge distribution on the surfaces of coal particles; (c) the use of electrostatic beneficiation to recover unburned carbon from flyash; (d) the development of research instruments for investigation of charging properties of coal. Pittsburghmore » #8 powders were beneficiated as a function of grind size and under three atmosphere conditions: fresh ground in air , after 24 hours of air exposure, or under N2 atmosphere. The feed and processed powders were analyzed by a variety of methods including moisture, ash, total sulfur, and pyritic sulfur content. Mass distribution and cumulative charge of the processed powders were also measured. Fresh ground coal performed the best in electrostatic beneficiation. Results are compared with those of similar studies conducted on Pittsburgh #8 powders last year (April 1, 1997 to September 30, 1997). Polystyrene latex spheres were charged and deposited onto coal particles that had been passed through the electrostatic separator and collected onto insulating filters. The observations suggest bipolar charging of individual particles and patches of charge on the particles which may be associated with particular maceral types or with mineral inclusions. A preliminary investigation was performed on eletrostatic separation of unburned carbon particles from flyash. Approximately 25% of the flyash acquired positive charge in the copper tribocharger. This compares with 75% of fresh ground coal. The negatively charged material had a slightly reduced ash content suggesting some enrichment of carbonaceous

Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging.

PubMed

Hughes, Timothy J; Kandathil, Shaun M; Popelier, Paul L A

2015-02-05

As intermolecular interactions such as the hydrogen bond are electrostatic in origin, rigorous treatment of this term within force field methodologies should be mandatory. We present a method able of accurately reproducing such interactions for seven van der Waals complexes. It uses atomic multipole moments up to hexadecupole moment mapped to the positions of the nuclear coordinates by the machine learning method kriging. Models were built at three levels of theory: HF/6-31G(**), B3LYP/aug-cc-pVDZ and M06-2X/aug-cc-pVDZ. The quality of the kriging models was measured by their ability to predict the electrostatic interaction energy between atoms in external test examples for which the true energies are known. At all levels of theory, >90% of test cases for small van der Waals complexes were predicted within 1 kJ mol(-1), decreasing to 60-70% of test cases for larger base pair complexes. Models built on moments obtained at B3LYP and M06-2X level generally outperformed those at HF level. For all systems the individual interactions were predicted with a mean unsigned error of less than 1 kJ mol(-1). Copyright © 2013 Elsevier B.V. All rights reserved.

Electrostatics of proteins in dielectric solvent continua. I. Newton's third law marries qE forces

NASA Astrophysics Data System (ADS)

Stork, Martina; Tavan, Paul

2007-04-01

The authors reformulate and revise an electrostatic theory treating proteins surrounded by dielectric solvent continua [B. Egwolf and P. Tavan, J. Chem. Phys. 118, 2039 (2003)] to make the resulting reaction field (RF) forces compatible with Newton's third law. Such a compatibility is required for their use in molecular dynamics (MD) simulations, in which the proteins are modeled by all-atom molecular mechanics force fields. According to the original theory the RF forces, which are due to the electric field generated by the solvent polarization and act on the partial charges of a protein, i.e., the so-called qE forces, can be quite accurately computed from Gaussian RF dipoles localized at the protein atoms. Using a slightly different approximation scheme also the RF energies of given protein configurations are obtained. However, because the qE forces do not account for the dielectric boundary pressure exerted by the solvent continuum on the protein, they do not obey the principle that actio equals reactio as required by Newton's third law. Therefore, their use in MD simulations is severely hampered. An analysis of the original theory has led the authors now to a reformulation removing the main difficulties. By considering the RF energy, which represents the dominant electrostatic contribution to the free energy of solvation for a given protein configuration, they show that its negative configurational gradient yields mean RF forces obeying the reactio principle. Because the evaluation of these mean forces is computationally much more demanding than that of the qE forces, they derive a suggestion how the qE forces can be modified to obey Newton's third law. Various properties of the thus established theory, particularly issues of accuracy and of computational efficiency, are discussed. A sample application to a MD simulation of a peptide in solution is described in the following paper [M. Stork and P. Tavan, J. Chem. Phys., 126, 165106 (2007).

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

USDA-ARS?s Scientific Manuscript database

A study was conducted to analyze the performance of three electrostatic (Electrolon BP-2.5TM, Spectrum Electrostatic 4010, and Spectrum Electrostatic head on a Stihl 420) and two conventional (Buffalo Turbine CSM2 and Stihl 420) sprayers for barrier sprays to suppress an adult mosquito population in...

Electrostatic coating enhances bioavailability of insecticides and breaks pyrethroid resistance in mosquitoes

PubMed Central

Andriessen, Rob; Snetselaar, Janneke; Suer, Remco A.; Osinga, Anne J.; Deschietere, Johan; Lyimo, Issa N.; Mnyone, Ladslaus L.; Brooke, Basil D.; Ranson, Hilary; Knols, Bart G. J.; Farenhorst, Marit

2015-01-01

Insecticide resistance poses a significant and increasing threat to the control of malaria and other mosquito-borne diseases. We present a novel method of insecticide application based on netting treated with an electrostatic coating that binds insecticidal particles through polarity. Electrostatic netting can hold small amounts of insecticides effectively and results in enhanced bioavailability upon contact by the insect. Six pyrethroid-resistant Anopheles mosquito strains from across Africa were exposed to similar concentrations of deltamethrin on electrostatic netting or a standard long-lasting deltamethrin-coated bednet (PermaNet 2.0). Standard WHO exposure bioassays showed that electrostatic netting induced significantly higher mortality rates than the PermaNet, thereby effectively breaking mosquito resistance. Electrostatic netting also induced high mortality in resistant mosquito strains when a 15-fold lower dose of deltamethrin was applied and when the exposure time was reduced to only 5 s. Because different types of particles adhere to electrostatic netting, it is also possible to apply nonpyrethroid insecticides. Three insecticide classes were effective against strains of Aedes and Culex mosquitoes, demonstrating that electrostatic netting can be used to deploy a wide range of active insecticides against all major groups of disease-transmitting mosquitoes. Promising applications include the use of electrostatic coating on walls or eave curtains and in trapping/contamination devices. We conclude that application of electrostatically adhered particles boosts the efficacy of WHO-recommended insecticides even against resistant mosquitoes. This innovative technique has potential to support the use of unconventional insecticide classes or combinations thereof, potentially offering a significant step forward in managing insecticide resistance in vector-control operations. PMID:26324912

Electrostatically frequency tunable micro-beam-based piezoelectric fluid flow energy harvester

NASA Astrophysics Data System (ADS)

Rezaee, Mousa; Sharafkhani, Naser

2017-07-01

This research investigates the dynamic behavior of a sandwich micro-beam based piezoelectric energy harvester with electrostatically adjustable resonance frequency. The system consists of a cantilever micro-beam immersed in a fluid domain and is subjected to the simultaneous action of cross fluid flow and nonlinear electrostatic force. Two parallel piezoelectric laminates are extended along the length of the micro-beam and connected to an external electric circuit which generates an output power as a result of the micro-beam oscillations. The fluid-coupled structure is modeled using Euler-Bernoulli beam theory and the equivalent force terms for the fluid flow. Fluid induced forces comprise the added inertia force which is evaluated using equivalent added mass and the drag and lift forces which are evaluated using relative velocity and Van der Pol equation. In addition to flow velocity and fluid density, the influence of several design parameters such as external electrical resistance, piezo layer position, and dc voltage on the generated power are investigated by using Galerkin and step by step linearization method. It is shown that for given flowing fluid parameters, i.e., density and velocity, one can adjust the applied dc voltage to tune resonance frequency so that the lock-in phenomenon with steady large amplitude oscillations happens, also by adjusting the harvester parameters including the mechanical and electrical ones, the maximal output power of the harvester becomes possible.

PHEPS: web-based pH-dependent Protein Electrostatics Server

PubMed Central

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

APPARATUS FOR CLEANING GASES WITH ELECTROSTATICALLY CHARGED PARTICLES

DOEpatents

Johnstone, H.F.

1960-02-01

An apparatus is described for cleaning gases with the help of electrostatically charged pellets. The pellets are blown past baffles in a conduit and into the center of a rotuting body of the gas to be cleaned. The pellets are charged electrostatically by impinging on the baffles. The pellets collect the particles suspended in the gas in their passage from the center of the rotating body to its edge.

PREFACE: 13th International Conference on Electrostatics

NASA Astrophysics Data System (ADS)

Taylor, D. Martin

2011-06-01

Electrostatics 2011 was held in the city of Bangor which is located in North West Wales in an area of outstanding natural beauty close to the Snowdonia mountain range and bordering the Irish Sea. The history of the area goes back into the mists of times, but a continuous technological thread can be traced from the stone- and bronze-age craftsmen, who inhabited the area several thousand years ago, via the civil engineering and fortifications of the Romans and Edward I of England, through Marconi's long-wave trans-Atlantic transmitter near Caernarfon to the conference host. The School of Electronic Engineering at Bangor University has contributed much to the discipline of Electrostatics not only in teaching and research but also in supporting industry. It was a great pleasure for me, therefore, to have the pleasure of welcoming the world's experts in Electrostatics to Bangor in April 2011. In my preface to the Proceedings of Electrostatics 1999, I reported that almost 90 papers were presented. Interestingly, a similar number were presented in 2011 testifying to the importance and endurance of the subject. The all-embracing nature of electrostatics is captured in the pictorial depiction used for the conference logo: a hand-held plasma ball with its close link to gaseous discharges and the superimposed Antarctic aurora highlighting the featured conference themes of atmospheric, planetary and environmental electrostatics. Leading these themes were three invited contributions, the first by Giles Harrison who delivered the Bill Bright Memorial Lecture 'Fair weather atmospheric electricity', Carlos Calle on 'The electrostatic environments of Mars and the Moon' and Istvan Berta on 'Lightning protection - challenges, solutions and questionable steps in the 21st century'. Leading other key sessions were invited papers by Atsushi Ohsawa on 'Statistical analysis of fires and explosions attributed to static electricity over the last 50 years in Japanese industry' and Antonio

Microfluidic pressure amplifier circuits and electrostatic gates for pneumatic microsystems

DOEpatents

Tice, Joshua D.; Bassett, Thomas A.; Desai, Amit V.; Apblett, Christopher A.; Kenis, Paul J. A.

2016-09-20

An electrostatic actuator is provide that can include a fluidic line, a first electrode, and a second electrode such that a gate chamber portion of the fluidic line is sandwiched between the first electrode and the second electrode. The electrostatic actuator can also include a pressure-balancing channel in fluid communication with the gate chamber portion where the first electrode is sandwiched between the pressure-balancing channel and the gate chamber portion. A pneumatic valve system is provided which includes an electrostatic gate and a fluidic channel fluidly separate from a fluidic control line. A pneumatic valve portion of the fluidic control line can be positioned relative to a portion of the fluidic channel such that expansion of the pneumatic valve portion restricts fluid flow through the fluidic channel. Methods of using an electrostatic actuator and a pneumatic valve system are also provided.

Imaging latex–carbon nanotube composites by subsurface electrostatic force microscopy

DOE PAGES

Patel, Sajan; Petty, Clayton W.; Krafcik, Karen Lee; ...

2016-09-08

Electrostatic modes of atomic force microscopy have shown to be non-destructive and relatively simple methods for imaging conductors embedded in insulating polymers. Here we use electrostatic force microscopy to image the dispersion of carbon nanotubes in a latex-based conductive composite, which brings forth features not observed in previously studied systems employing linear polymer films. A fixed-potential model of the probe-nanotube electrostatics is presented which in principle gives access to the conductive nanoparticle's depth and radius, and the polymer film dielectric constant. Comparing this model to the data results in nanotube depths that appear to be slightly above the film–air interface.more » Furthermore, this result suggests that water-mediated charge build-up at the film–air interface may be the source of electrostatic phase contrast in ambient conditions.« less

Electrostatic coupling of ion pumps.

PubMed

Nieto-Frausto, J; Lüger, P; Apell, H J

1992-01-01

In this paper the electrostatic interactions between membrane-embedded ion-pumps and their consequences for the kinetics of pump-mediated transport processes have been examined. We show that the time course of an intrinsically monomolecular transport reaction can become distinctly nonexponential, if the reaction is associated with charge translocation and takes place in an aggregate of pump molecules. First we consider the electrostatic coupling of a single dimer of ion-pumps embedded in the membrane. Then we apply the treatment to the kinetic analysis of light-driven proton transport by bacteriorhodopsin which forms two-dimensional hexagonal lattices. Finally, for the case of nonordered molecules, we also consider a model in which the pumps are randomly distributed over the nodes of a lattice. Here the average distance is equal to that deduced experimentally and the elemental size of the lattice is the effective diameter of one single pump. This latter model is applied to an aggregate of membrane-embedded Na, K- and Ca-pumps. In all these cases the electrostatic potential considered is the exact solution calculated from the method of electrical images for a plane membrane of finite thickness immersed in an infinite aqueous solution environment. The distributions of charges (ions or charged binding sites) are considered homogeneous or discrete in the membrane and/or in the external solution. In the case of discrete distributions we compare the results from a mean field approximation and a stochastic simulation.

Galactic heavy-ion shielding using electrostatic fields

NASA Technical Reports Server (NTRS)

Townsend, L. W.

1984-01-01

The shielding of spacecraft against galactic heavy ions, particularly high-energy Fe(56) nuclei, by electrostatic fields is analyzed for an arrangement of spherical concentric shells. Vacuum breakdown considerations are found to limit the minimum radii of the spheres to over 100 m. This limitation makes it impractical to use the fields for shielding small spacecraft. The voltages necessary to repel these Fe(56) nuclei exceed present electrostatic generating capabilities by over 2 orders of magnitude and render the concept useless as an alternative to traditional bulk-material shielding methods.

Electrostatic dry powder prepregging of carbon fiber

NASA Technical Reports Server (NTRS)

Throne, James L.; Sohn, Min-Seok

1990-01-01

Ultrafine, 5-10 micron polymer-matrix resin powders are directly applied to carbon fiber tows by passing then in an air or nitrogen stream through an electrostatic potential; the particles thus charged will strongly adhere to grounded carbon fibers, and can be subsequently fused to the fiber in a continuously-fed radiant oven. This electrostatic technique derived significant end-use mechanical property advantages from the obviation of solvents, binders, and other adulterants. Additional matrix resins used to produce prepregs to date have been PMR-15, Torlon 40000, and LaRC TPI.

Electrostatic Precipitation in Nearly Pure Gaseous Nitrogen

NASA Technical Reports Server (NTRS)

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.

Measuring Electrostatic Discharge

NASA Technical Reports Server (NTRS)

Smith, William C.

1987-01-01

Apparatus measures electrostatic-discharge properties of several materials at once. Allows samples charged either by friction or by exposure to corona. By testing several samples simultaneously, apparatus eliminates errors introduced by variations among test conditions. Samples spaced so they pass at intervals under either of two retractable arms. Samples are 2 inches wide along circular path. Arm tips and voltmeter probe are 6 inches from turntable center. Servocontrolled turntable speed constant within 0.1 percent.

Klystron having electrostatic quadrupole focusing arrangement

DOEpatents

Maschke, Alfred W.

1983-08-30

A klystron includes a source for emitting at least one electron beam, and an accelerator for accelarating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome.

Klystron having electrostatic quadrupole focusing arrangement

DOEpatents

Maschke, A.W.

1983-08-30

A klystron includes a source for emitting at least one electron beam, and an accelerator for accelerating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome. 4 figs.

The Electromechanical Behavior of a Micro-Ring Driven by Traveling Electrostatic Force

PubMed Central

Ye, Xiuqian; Chen, Yibao; Chen, Da-Chih; Huang, Kuo-Yi; Hu, Yuh-Chung

2012-01-01

There is no literature mentioning the electromechanical behavior of micro structures driven by traveling electrostatic forces. This article is thus the first to present the dynamics and stabilities of a micro-ring subjected to a traveling electrostatic force. The traveling electrostatic force may be induced by sequentially actuated electrodes which are arranged around the flexible micro-ring. The analysis is based on a linearized distributed model considering the electromechanical coupling effects between electrostatic force and structure. The micro-ring will resonate when the traveling speeds of the electrostatic force approach some critical speeds. The critical speeds are equal to the ratio of the natural frequencies to the wave number of the correlative natural mode of the ring. Apart from resonance, the ring may be unstable at some unstable traveling speeds. The unstable regions appear not only near the critical speeds, but also near some fractions of some critical speeds differences. Furthermore the unstable regions expand with increasing driving voltage. This article may lead to a new research branch on electrostatic-driven micro devices. PMID:22438705

Electrostatic thrusters.

NASA Technical Reports Server (NTRS)

Kaufman, H. R.; Reader, P. D.

1972-01-01

The current status of research and development programs on electrostatic thrusters is reviewed. Current programs that utilize mercury electron-bombardment thrusters range from 5- to 30-cm in diameter. Recent progress on the 5-cm thruster has emphasized durability, with accelerator time exceeding 6300 hours and total time on the rest of the thruster exceeding 8300 hours. Recent progress on the 30-cm thruster has been outstanding in dished-grid accelerator systems. Ion beams up to 5 amperes have been obtained for short periods with 1000 volts net accelerating potential difference. The cesium electron-bombardment and cesium contact programs are also described.

Electrostatic monitoring

DOEpatents

Orr, Christopher Henry; Luff, Craig Janson; Dockray, Thomas; Macarthur, Duncan Whittemore

2001-01-01

The apparatus and method provide a technique for more simply measuring alpha and/or beta emissions arising from items or locations. The technique uses indirect monitoring of the emissions by detecting ions generated by the emissions, the ions being attracted electrostatically to electrodes for discharge of collection. The apparatus and method employ a chamber which is sealed around the item or location during monitoring with no air being drawn into or expelled from the chamber during the monitoring process. A simplified structure and operations arises as a result, but without impairing the efficiency and accuracy of the detection technique.

Piezoelectric and Electrostatic Polymeric Transducers for Acoustic Emission Detection.

DTIC Science & Technology

1984-12-01

the fabrication of ultrasonic transducers for acoustic emission (A.E.) detection using polyvinylidene fluoride ( PVDF ) active elements. ii) the...characterization of PVDF transducers. The second report compared the sensitivity of PVDF transducers with polypropylene electrostatic transducer...detection using polyvinylidene 1uoride ( PVDF ) active elements. ii) the fabrication of electrostatic transducers using thin film of non-polar

Electrostatic capacitance and Faraday cage behavior of carbon nanotube forests

NASA Astrophysics Data System (ADS)

Ya'akobovitz, A.; Bedewy, M.; Hart, A. J.

2015-02-01

Understanding of the electrostatic properties of carbon nanotube (CNT) forests is essential to enable their integration in microelectronic and micromechanical devices. In this study, we sought to understand how the hierarchical geometry and morphology of CNT forests determines their capacitance. First, we find that at small gaps, solid micropillars have greater capacitance, yet at larger gaps the capacitance of the CNT forests is greater. The surface area of the CNT forest accessible to the electrostatic field was extracted by analysis of the measured capacitance, and, by relating the capacitance to the average density of CNTs in the forest, we find that the penetration depth of the electrostatic field is on the order of several microns. Therefore, CNT forests can behave as a miniature Faraday cage. The unique electrostatic properties of CNT forests could therefore enable their use as long-range proximity sensors and as shielding elements for miniature electronic devices.

Ground Based Investigation of Electrostatic Accelerometer in HUST

NASA Astrophysics Data System (ADS)

Bai, Y.; Zhou, Z.

2013-12-01

High-precision electrostatic accelerometers with six degrees of freedom (DOF) acceleration measurement were successfully used in CHAMP, GRACE and GOCE missions which to measure the Earth's gravity field. In our group, space inertial sensor based on the capacitance transducer and electrostatic control technique has been investigated for test of equivalence principle (TEPO), searching non-Newtonian force in micrometer range, and satellite Earth's field recovery. The significant techniques of capacitive position sensor with the noise level at 2×10-7pF/Hz1/2 and the μV/Hz1/2 level electrostatic actuator are carried out and all the six servo loop controls by using a discrete PID algorithm are realized in a FPGA device. For testing on ground, in order to compensate one g earth's gravity, the fiber torsion pendulum facility is adopt to measure the parameters of the electrostatic controlled inertial sensor such as the resolution, and the electrostatic stiffness, the cross couple between different DOFs. A short distance and a simple double capsule equipment the valid duration about 0.5 second is set up in our lab for the free fall tests of the engineering model which can directly verify the function of six DOF control. Meanwhile, high voltage suspension method is also realized and preliminary results show that the horizontal axis of acceleration noise is about 10-8m/s2/Hz1/2 level which limited mainly by the seismic noise. Reference: [1] Fen Gao, Ze-Bing Zhou, Jun Luo, Feasibility for Testing the Equivalence Principle with Optical Readout in Space, Chin. Phys. Lett. 28(8) (2011) 080401. [2] Z. Zhu, Z. B. Zhou, L. Cai, Y. Z. Bai, J. Luo, Electrostatic gravity gradiometer design for the advanced GOCE mission, Adv. Sp. Res. 51 (2013) 2269-2276. [3] Z B Zhou, L Liu, H B Tu, Y Z Bai, J Luo, Seismic noise limit for ground-based performance measurements of an inertial sensor using a torsion balance, Class. Quantum Grav. 27 (2010) 175012. [4] H B Tu, Y Z Bai, Z B Zhou, L Liu, L

Electrostatic design of protein-protein association rates.

PubMed

Schreiber, Gideon; Shaul, Yossi; Gottschalk, Kay E

2006-01-01

De novo design and redesign of proteins and protein complexes have made promising progress in recent years. Here, we give an overview of how to use available computer-based tools to design proteins to bind faster and tighter to their protein-complex partner by electrostatic optimization between the two proteins. Electrostatic optimization is possible because of the simple relation between the Debye-Huckel energy of interaction between a pair of proteins and their rate of association. This can be used for rapid, structure-based calculations of the electrostatic attraction between the two proteins in the complex. Using these principles, we developed two computer programs that predict the change in k(on), and as such the affinity, on introducing charged mutations. The two programs have a web interface that is available at www.weizmann.ac.il/home/bcges/PARE.html and http://bip.weizmann.ac.il/hypare. When mutations leading to charge optimization are introduced outside the physical binding site, the rate of dissociation is unchanged and therefore the change in k(on) parallels that of the affinity. This design method was evaluated on a number of different protein complexes resulting in binding rates and affinities of hundreds of fold faster and tighter compared to wild type. In this chapter, we demonstrate the procedure and go step by step over the methodology of using these programs for protein-association design. Finally, the way to easily implement the principle of electrostatic design for any protein complex of choice is shown.

New Distributed Multipole Methods for Accurate Electrostatics for Large-Scale Biomolecular Simultations

NASA Astrophysics Data System (ADS)

Sagui, Celeste

2006-03-01

An accurate and numerically efficient treatment of electrostatics is essential for biomolecular simulations, as this stabilizes much of the delicate 3-d structure associated with biomolecules. Currently, force fields such as AMBER and CHARMM assign ``partial charges'' to every atom in a simulation in order to model the interatomic electrostatic forces, so that the calculation of the electrostatics rapidly becomes the computational bottleneck in large-scale simulations. There are two main issues associated with the current treatment of classical electrostatics: (i) how does one eliminate the artifacts associated with the point-charges (e.g., the underdetermined nature of the current RESP fitting procedure for large, flexible molecules) used in the force fields in a physically meaningful way? (ii) how does one efficiently simulate the very costly long-range electrostatic interactions? Recently, we have dealt with both of these challenges as follows. In order to improve the description of the molecular electrostatic potentials (MEPs), a new distributed multipole analysis based on localized functions -- Wannier, Boys, and Edminston-Ruedenberg -- was introduced, which allows for a first principles calculation of the partial charges and multipoles. Through a suitable generalization of the particle mesh Ewald (PME) and multigrid method, one can treat electrostatic multipoles all the way to hexadecapoles all without prohibitive extra costs. The importance of these methods for large-scale simulations will be discussed, and examplified by simulations from polarizable DNA models.

Study on the shrinkage behavior and conductivity of silver microwires during electrostatic field assisted sintering

NASA Astrophysics Data System (ADS)

Shangguan, Lei; Ma, Liuhong; Li, Mengke; Peng, Wei; Zhong, Yinghui; Su, Yufeng; Duan, Zhiyong

2018-05-01

An electrostatic field was applied to sintering Ag microwires to achieve a more compact structure and better conductivity. The shrinkage behavior of Ag microwires shows anisotropy, since bigger particle sizes, less micropores and smoother surfaces were observed in the direction of the electrostatic field in comparsion with the direction perpendicular to the electrostatic field, and the shrinkage rate of Ag microwires in the direction of electrostatic field improves about 2.4% with the electrostatic field intensity of 800 V cm‑1. The electrostatic field assisted sintering model of Ag microwires is proposed according to thermal diffuse dynamics analysis and experimental research. Moreover, the grain size of Ag microwres sintered with electrostatic field increases with the electrostatic field intensity and reaches 113 nm when the electrostatic field intensity is 800 V cm‑1, and the resistivity decreases to 2.07  ×  10‑8 Ω m as well. This method may overcome the restriction of metal wires which fabricated by the pseudoplastic metal nanoparticle fluid and be used as interconnects in nanoimprint lithography.

Electrostatic contribution to the binding stability of protein-protein complexes.

PubMed

Dong, Feng; Zhou, Huan-Xiang

2006-10-01

To investigate roles of electrostatic interactions in protein binding stability, electrostatic calculations were carried out on a set of 64 mutations over six protein-protein complexes. These mutations alter polar interactions across the interface and were selected for putative dominance of electrostatic contributions to the binding stability. Three protocols of implementing the Poisson-Boltzmann model were tested. In vdW4 the dielectric boundary between the protein low dielectric and the solvent high dielectric is defined as the protein van der Waals surface and the protein dielectric constant is set to 4. In SE4 and SE20, the dielectric boundary is defined as the surface of the protein interior inaccessible to a 1.4-A solvent probe, and the protein dielectric constant is set to 4 and 20, respectively. In line with earlier studies on the barnase-barstar complex, the vdW4 results on the large set of mutations showed the closest agreement with experimental data. The agreement between vdW4 and experiment supports the contention of dominant electrostatic contributions for the mutations, but their differences also suggest van der Waals and hydrophobic contributions. The results presented here will serve as a guide for future refinement in electrostatic calculation and inclusion of nonelectrostatic effects. Proteins 2006. (c) 2006 Wiley-Liss, Inc.

PBEQ-Solver for online visualization of electrostatic potential of biomolecules.

PubMed

Jo, Sunhwan; Vargyas, Miklos; Vasko-Szedlar, Judit; Roux, Benoît; Im, Wonpil

2008-07-01

PBEQ-Solver provides a web-based graphical user interface to read biomolecular structures, solve the Poisson-Boltzmann (PB) equations and interactively visualize the electrostatic potential. PBEQ-Solver calculates (i) electrostatic potential and solvation free energy, (ii) protein-protein (DNA or RNA) electrostatic interaction energy and (iii) pKa of a selected titratable residue. All the calculations can be performed in both aqueous solvent and membrane environments (with a cylindrical pore in the case of membrane). PBEQ-Solver uses the PBEQ module in the biomolecular simulation program CHARMM to solve the finite-difference PB equation of molecules specified by users. Users can interactively inspect the calculated electrostatic potential on the solvent-accessible surface as well as iso-electrostatic potential contours using a novel online visualization tool based on MarvinSpace molecular visualization software, a Java applet integrated within CHARMM-GUI (http://www.charmm-gui.org). To reduce the computational time on the server, and to increase the efficiency in visualization, all the PB calculations are performed with coarse grid spacing (1.5 A before and 1 A after focusing). PBEQ-Solver suggests various physical parameters for PB calculations and users can modify them if necessary. PBEQ-Solver is available at http://www.charmm-gui.org/input/pbeqsolver.

Nucleic acid polymeric properties and electrostatics: Directly comparing theory and simulation with experiment.

PubMed

Sim, Adelene Y L

2016-06-01

Nucleic acids are biopolymers that carry genetic information and are also involved in various gene regulation functions such as gene silencing and protein translation. Because of their negatively charged backbones, nucleic acids are polyelectrolytes. To adequately understand nucleic acid folding and function, we need to properly describe its i) polymer/polyelectrolyte properties and ii) associating ion atmosphere. While various theories and simulation models have been developed to describe nucleic acids and the ions around them, many of these theories/simulations have not been well evaluated due to complexities in comparison with experiment. In this review, I discuss some recent experiments that have been strategically designed for straightforward comparison with theories and simulation models. Such data serve as excellent benchmarks to identify limitations in prevailing theories and simulation parameters. Copyright © 2015 Elsevier B.V. All rights reserved.

On the Proper Calculation of Electrostatic Interactions in Solid-Supported Bilayer Systems

DTIC Science & Technology

2011-01-01

the effects of im- plementing different electrostatic boundary conditions on the structural and electrostatic properties of a quartz/water/vacuum...interface and a similar quartz-supported hydrated lipid bilayer exposed to vacuum. Since these interfacial systems have a net polarization, implementing the...implemented electrostatic boundary condition removed these inconsistencies. This formulation is generally applicable to similar interfacial systems in bulk

Electrostatic formation of liquid marbles and agglomerates

NASA Astrophysics Data System (ADS)

Liyanaarachchi, K. R.; Ireland, P. M.; Webber, G. B.; Galvin, K. P.

2013-07-01

We report observations of a sudden, explosive release of electrostatically charged 100 μm glass beads from a particle bed. These cross an air gap of several millimeters, are engulfed by an approaching pendant water drop, and form a metastable spherical agglomerate on the bed surface. The stability transition of the particle bed is explained by promotion of internal friction by in-plane electrostatic stresses. The novel agglomerates formed this way resemble the "liquid marbles" formed by coating a drop with hydrophobic particles. Complex multi-layered agglomerates may also be produced by this method, with potential industrial, pharmaceutical, environmental, and biological applications.

Electrostatic Model Applied to ISS Charged Water Droplet Experiment

NASA Technical Reports Server (NTRS)

Stevenson, Daan; Schaub, Hanspeter; Pettit, Donald R.

2015-01-01

The electrostatic force can be used to create novel relative motion between charged bodies if it can be isolated from the stronger gravitational and dissipative forces. Recently, Coulomb orbital motion was demonstrated on the International Space Station by releasing charged water droplets in the vicinity of a charged knitting needle. In this investigation, the Multi-Sphere Method, an electrostatic model developed to study active spacecraft position control by Coulomb charging, is used to simulate the complex orbital motion of the droplets. When atmospheric drag is introduced, the simulated motion closely mimics that seen in the video footage of the experiment. The electrostatic force's inverse dependency on separation distance near the center of the needle lends itself to analytic predictions of the radial motion.

Solvation effects on chemical shifts by embedded cluster integral equation theory.

PubMed

Frach, Roland; Kast, Stefan M

2014-12-11

The accurate computational prediction of nuclear magnetic resonance (NMR) parameters like chemical shifts represents a challenge if the species studied is immersed in strongly polarizing environments such as water. Common approaches to treating a solvent in the form of, e.g., the polarizable continuum model (PCM) ignore strong directional interactions such as H-bonds to the solvent which can have substantial impact on magnetic shieldings. We here present a computational methodology that accounts for atomic-level solvent effects on NMR parameters by extending the embedded cluster reference interaction site model (EC-RISM) integral equation theory to the prediction of chemical shifts of N-methylacetamide (NMA) in aqueous solution. We examine the influence of various so-called closure approximations of the underlying three-dimensional RISM theory as well as the impact of basis set size and different treatment of electrostatic solute-solvent interactions. We find considerable and systematic improvement over reference PCM and gas phase calculations. A smaller basis set in combination with a simple point charge model already yields good performance which can be further improved by employing exact electrostatic quantum-mechanical solute-solvent interaction energies. A larger basis set benefits more significantly from exact over point charge electrostatics, which can be related to differences of the solvent's charge distribution.

Low power interface IC's for electrostatic energy harvesting applications

NASA Astrophysics Data System (ADS)

Kempitiya, Asantha

The application of wireless distributed micro-sensor systems ranges from equipment diagnostic and control to real time structural and biomedical monitoring. A major obstacle in developing autonomous micro-sensor networks is the need for local electric power supply, since using a battery is often not a viable solution. This void has sparked significant interest in micro-scale power generators based on electrostatic, piezoelectric and electromagnetic energy conversion that can scavenge ambient energy from the environment. In comparison to existing energy harvesting techniques, electrostatic-based power generation is attractive as it can be integrated using mainstream silicon technologies while providing higher power densities through miniaturization. However the power output of reported electrostatic micro-generators to date does not meet the communication and computation requirements of wireless sensor nodes. The objective of this thesis is to investigate novel CMOS-based energy harvesting circuit (EHC) architectures to increase the level of harvested mechanical energy in electrostatic converters. The electronic circuits that facilitate mechanical to electrical energy conversion employing variable capacitors can either have synchronous or asynchronous architectures. The later does not require synchronization of electrical events with mechanical motion, which eliminates difficulties in gate clocking and the power consumption associated with complex control circuitry. However, the implementation of the EHC with the converter can be detrimental to system performance when done without concurrent optimization of both elements, an aspect mainly overlooked in the literature. System level analysis is performed to show that there is an optimum value for either the storage capacitor or cycle number for maximum scavenging of ambient energy. The analysis also shows that maximum power is extracted when the system approaches synchronous operation. However, there is a region of

In-Situ Measurements of Electrostatic Dust Transport on the Lunar Surface

NASA Astrophysics Data System (ADS)

Wang, X.; Sternovsky, Z.; Horanyi, M.

2018-02-01

A design of the Cubesat Electrostatic Dust Analyzer (CEDA) is described to verify and characterize the electrostatic dust transport process on the lunar surface and to estimate its effect on the surface evolution.

Performance of Electrostatic Dust Collectors (EDCs) for Endotoxin Assessment in Homes: Effect of Mailing, Placement, Heating and Electrostatic Charge

PubMed Central

Kilburg-Basnyat, Brita; Metwali, Nervana; Thorne, Peter S.

2016-01-01

Electrostatic Dust Collectors (EDCs) are in use for passive sampling of bioaerosols, but particular aspects of their performance have not yet been evaluated. This study investigated the effect of mailing EDCs on endotoxin loading and the effect of EDC deployment in front of and away from heated ventilation on endotoxin sampling. Endotoxin sampling efficiency of heated and unheated EDC cloths was also evaluated. Cross-country express mailing of dust-spiked EDCs yielded no significant changes in endotoxin concentrations compared to dust-only samples for both high spiked-EDCs (p=0.30) and low spiked-EDCs (p=0.36). EDCs were also deployed in 20 identical apartments with one EDC placed in front of the univent heater in each apartment and contemporaneous EDC placed on the built-in bookshelf in each apartment. The endotoxin concentrations were significantly different (p=0.049) indicating that the placement of EDC does impact endotoxin sampling. Heated and unheated EDCs were deployed for 7 days in pairs in farm homes. There was a significant difference between endotoxin concentrations (p=0.027) indicating that heating EDCs may diminish their electrostatic capabilities and impact endotoxin sampling. The last study investigated the electrostatic charge of 12 heated and 12 unheated EDC cloths. There was a significant difference in charge (p=0.009) which suggests that heating EDC cloths may make them less effective for sampling. In conclusion, EDCs can be mailed to and from deployment sites, EDC placement in relationship to ventilation is crucial, and heating EDCs reduces their electrostatic charge which may diminish their endotoxin sampling capabilities. PMID:26325020

Performance of electrostatic dust collectors (EDCs) for endotoxin assessment in homes: Effect of mailing, placement, heating, and electrostatic charge.

PubMed

Kilburg-Basnyat, Brita; Metwali, Nervana; Thorne, Peter S

2016-01-01

Electrostatic Dust Collectors (EDCs) are in use for passive sampling of bioaerosols, but particular aspects of their performance have not yet been evaluated. This study investigated the effect of mailing EDCs on endotoxin loading and the effect of EDC deployment in front of, and away from, heated ventilation on endotoxin sampling. Endotoxin sampling efficiency of heated and unheated EDC cloths was also evaluated. Cross-country express mailing of dust-spiked EDCs yielded no significant changes in endotoxin concentrations compared to dust-only samples for both high-spiked EDCs (p = 0.30) and low-spiked EDCs (p = 0.36). EDCs were also deployed in 20 identical apartments with one EDC placed in front of the univent heater in each apartment and contemporaneous EDC placed on the built-in bookshelf in each apartment. The endotoxin concentrations were significantly different (p = 0.049) indicating that the placement of EDC does impact endotoxin sampling. Heated and unheated EDCs were deployed for 7 days in pairs in farm homes. There was a significant difference between endotoxin concentrations (p = 0.027) indicating that heating EDCs may diminish their electrostatic capabilities and impact endotoxin sampling. The last study investigated the electrostatic charge of 12 heated and 12 unheated EDC cloths. There was a significant difference in charge (p = 0.009) which suggests that heating EDC cloths may make them less effective for sampling. In conclusion, EDCs can be mailed to and from deployment sites, EDC placement in relationship to ventilation is crucial, and heating EDCs reduces their electrostatic charge which may diminish their endotoxin sampling capabilities.

Electrostatic capacitance and Faraday cage behavior of carbon nanotube forests

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ya'akobovitz, A.; Department of Mechanical Engineering, Faculty of Engineering Sciences, Ben-Gurion University, Beer-Sheva; Bedewy, M.

2015-02-02

Understanding of the electrostatic properties of carbon nanotube (CNT) forests is essential to enable their integration in microelectronic and micromechanical devices. In this study, we sought to understand how the hierarchical geometry and morphology of CNT forests determines their capacitance. First, we find that at small gaps, solid micropillars have greater capacitance, yet at larger gaps the capacitance of the CNT forests is greater. The surface area of the CNT forest accessible to the electrostatic field was extracted by analysis of the measured capacitance, and, by relating the capacitance to the average density of CNTs in the forest, we findmore » that the penetration depth of the electrostatic field is on the order of several microns. Therefore, CNT forests can behave as a miniature Faraday cage. The unique electrostatic properties of CNT forests could therefore enable their use as long-range proximity sensors and as shielding elements for miniature electronic devices.« less

Anionic lipids and the maintenance of membrane electrostatics in eukaryotes

PubMed Central

Platre, Matthieu Pierre

2017-01-01

ABSTRACT 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. PMID:28102755

Anionic lipids and the maintenance of membrane electrostatics in eukaryotes.

PubMed

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.

Dynamics of Quasi-Electrostatic Whistler waves in Earth's Radiation belts

NASA Astrophysics Data System (ADS)

Goyal, R.; Sharma, R. P.; Gupta, D. N.

2017-12-01

A numerical model is proposed to study the dynamics of high amplitude quasi-electrostatic whistler waves propagating near resonance cone angle and their interaction with finite frequency kinetic Alfvén waves (KAWs) in Earth's radiation belts. The quasi-electrostatic character of whistlers is narrated by dynamics of wave propagating near resonance cone. A high amplitude whistler wave packet is obtained using the present analysis which has also been observed by S/WAVES instrument onboard STEREO. The numerical simulation technique employed to study the dynamics, leads to localization (channelling) of waves as well as turbulent spectrum suggesting the transfer of wave energy over a range of frequencies. The turbulent spectrum also indicates the presence of quasi-electrostatic whistlers and density fluctuations associated with KAW in radiation belts plasma. The ponderomotive force of pump quasi-electrostatic whistlers (high frequency) is used to excite relatively much lower frequency waves (KAWs). The wave localization and steeper spectra could be responsible for particle energization or heating in radiation belts.

Electrostatic orientation of the electron-transfer complex between plastocyanin and cytochrome c.

PubMed

Roberts, V A; Freeman, H C; Olson, A J; Tainer, J A; Getzoff, E D

1991-07-15

To understand the specificity and efficiency of protein-protein interactions promoting electron transfer, we evaluated the role of electrostatic forces in precollision orientation by the development of two new methods, computer graphics alignment of protein electrostatic fields and a systematic orientational search of intermolecular electrostatic energies for two proteins at present separation distances. We applied these methods to the plastocyanin/cytochrome c interaction, which is faster than random collision, but too slow for study by molecular dynamics techniques. Significant electrostatic potentials were concentrated on one-fourth (969 A2) of the plastocyanin surface, with the greatest negative potential centered on the Tyr-83 hydroxyl within the acidic patch, and on one-eighth (632 A2) of the cytochrome c surface, with the greatest positive potential centered near the exposed heme edge. Coherent electrostatic fields occurred only over these regions, suggesting that local, rather than global, charge complementarity controls productive recognition. The three energetically favored families of pre-collision orientations all directed the positive region surrounding the heme edge of cytochrome c toward the acidic patch of plastocyanin but differed in heme plane orientation. Analysis of electrostatic fields, electrostatic energies of precollision orientations with 12 and 6 A separation distances, and surface topographies suggested that the favored orientations should converge to productive complexes promoting a single electron-transfer pathway from the cytochrome c heme edge to Tyr-83 of plastocyanin. Direct interactions of the exposed Cu ligand in plastocyanin with the cytochrome c heme edge are not unfavorable sterically or electrostatically but should occur no faster than randomly, indicating that this is not the primary pathway for electron transfer.

The correlated molecular electrostatic potential and electric field of 2 (1H)-pyrimidone and 2-hydroxypyrimidine

NASA Astrophysics Data System (ADS)

Leś, Andrzej; Adamowicz, Ludwik

1991-06-01

The molecular electrostatic potential and molecular electric field have been estimated by means of the expectation values of the respective one-electron operators. We used the molecular density matrix that includes the electron correlation effects up to the second-order of the many body perturbation theory. The results show that around the 2(1H)-pyrimidone molecule one may distinguish the electrophilic and nucleophilic regions, the latter characterized by two potential minima of -2.9 V. In the tautomeric form, 2-hydroxypyrimidine, a third potential minimum of -2.1 V appears close to the N1 nitrogen atom. For both molecules strong orientational forces acting on polar solvents are predicted in the vicinity of oxygen (O7) and nitrogen (N3) atoms. The electron correlation effects do not significantly alter the SCF values of the electrostatic potential and electric field at the distances within the van der Waals envelope of the pyrimidine bases. At larger distances, however, the correlation correction is significant, particularly in the direction facing the proton transfer path.

Searching the Force Field Electrostatic Multipole Parameter Space.

PubMed

Jakobsen, Sofie; Jensen, Frank

2016-04-12

We show by tensor decomposition analyses that the molecular electrostatic potential for amino acid peptide models has an effective rank less than twice the number of atoms. This rank indicates the number of parameters that can be derived from the electrostatic potential in a statistically significant way. Using this as a guideline, we investigate different strategies for deriving a reduced set of atomic charges, dipoles, and quadrupoles capable of reproducing the reference electrostatic potential with a low error. A full combinatorial search of selected parameter subspaces for N-methylacetamide and a cysteine peptide model indicates that there are many different parameter sets capable of providing errors close to that of the global minimum. Among the different reduced multipole parameter sets that have low errors, there is consensus that atoms involved in π-bonding require higher order multipole moments. The possible correlation between multipole parameters is investigated by exhaustive searches of combinations of up to four parameters distributed in all possible ways on all possible atomic sites. These analyses show that there is no advantage in considering combinations of multipoles compared to a simple approach where the importance of each multipole moment is evaluated sequentially. When combined with possible weighting factors related to the computational efficiency of each type of multipole moment, this may provide a systematic strategy for determining a computational efficient representation of the electrostatic component in force field calculations.

The Electrostatic Environments of Mars and the Moon

NASA Technical Reports Server (NTRS)

Calle, Carlos I.

2011-01-01

The electrical activity present in the environment near the surfaces of Mars and the moon has very different origins and presents a challenge to manned and robotic planetary exploration missions. Mars is covered with a layer of dust that has been redistributed throughout the entire planet by global dust storms. Dust, levitated by these storms as well as by the frequent dust devils, is expected to be electrostatically charged due to the multiple grain collisions in the dust-laden atmosphere. Dust covering the surface of the moon is expected to be electrostatically charged due to the solar wind, cosmic rays, and the solar radiation itself through the photoelectric effect. Electrostatically charged dust has a large tendency to adhere to surfaces. NASA's Mars exploration rovers have shown that atmospheric dust falling on solar panels can decrease their efficiency to the point of rendering the rover unusable. And as the Apollo missions to the moon showed, lunar dust adhesion can hinder manned and unmanned lunar exploration activities. Taking advantage of the electrical activity on both planetary system bodies, dust removal technologies are now being developed that use electrostatic and dielectrophoretic forces to produce controlled dust motion. This paper presents a short review of the theoretical and semiempirical models that have been developed for the lunar and Martian electrical environments.

Very compact, high-stability electrostatic actuator featuring contact-free self-limiting displacement

DOEpatents

Rodgers, M. Steven; Miller, Samuel L.

2003-01-01

A compact electrostatic actuator is disclosed for microelectromechanical (MEM) applications. The actuator utilizes stationary and moveable electrodes, with the stationary electrodes being formed on a substrate and the moveable electrodes being supported above the substrate on a frame. The frame provides a rigid structure which allows the electrostatic actuator to be operated at high voltages (up to 190 Volts) to provide a relatively large actuation force compared to conventional electrostatic comb actuators which are much larger in size. For operation at its maximum displacement, the electrostatic actuator is relatively insensitive to the exact value of the applied voltage and provides a self-limiting displacement.

Spin relaxation measurements of electrostatic bias in intermolecular exploration

NASA Astrophysics Data System (ADS)

Teng, Ching-Ling; Bryant, Robert G.

2006-04-01

We utilize the paramagnetic contribution to proton spin-lattice relaxation rate constants induced by freely diffusing charged paramagnetic centers to investigate the effect of charge on the intermolecular exploration of a protein by the small molecule. The proton NMR spectrum provided 255 resolved resonances that report how the explorer molecule local concentration varies with position on the surface. The measurements integrate over local dielectric constant variations, and, in principle, provide an experimental characterization of the surface free energy sampling biases introduced by the charge distribution on the protein. The experimental results for ribonuclease A obtained using positive, neutral, and negatively charged small nitroxide radicals are qualitatively similar to those expected from electrostatic calculations. However, while systematic electrostatic trends are apparent, the three different combinations of the data sets do not yield internally consistent values for the electrostatic contribution to the intermolecular free energy. We attribute this failure to the weakness of the electrostatic sampling bias for charged nitroxides in water and local variations in effective translational diffusion constant at the water-protein interface, which enters the nuclear spin relaxation equations for the nitroxide-proton dipolar coupling.

Electrostatic potential profiles of molecular conductors

NASA Astrophysics Data System (ADS)

Liang, G. C.; Ghosh, A. W.; Paulsson, M.; Datta, S.

2004-03-01

The electrostatic potential across a short ballistic molecular conductor depends sensitively on the geometry of its environment, and can affect its conduction significantly by influencing its energy levels and wave functions. We illustrate some of the issues involved by evaluating the potential profiles for a conducting gold wire and an aromatic phenyl dithiol molecule in various geometries. The potential profile is obtained by solving Poisson’s equation with boundary conditions set by the contact electrochemical potentials and coupling the result self-consistently with a nonequilibrium Green’s function formulation of transport. The overall shape of the potential profile (ramp versus flat) depends on the feasibility of transverse screening of electric fields. Accordingly, the screening is better for a thick wire, a multiwalled nanotube, or a close-packed self-assembled monolayer, in comparison to a thin wire, a single-walled nanotube, or an isolated molecular conductor. The electrostatic potential further governs the alignment or misalignment of intramolecular levels, which can strongly influence the molecular current voltage (I V) characteristic. An external gate voltage can modify the overall potential profile, changing the I V characteristic from a resonant conducting to a saturating one. The degree of saturation and gate modulation depends on the availability of metal-induced-gap states and on the electrostatic gate control parameter set by the ratio of the gate oxide thickness to the channel length.

Electrostatic Precipitator (ESP) TRAINING MANUAL

EPA Science Inventory

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...

Helping Lower Secondary Students Develop Conceptual Understanding of Electrostatic Forces

ERIC Educational Resources Information Center

Moynihan, Richard; van Kampen, Paul; Finlayson, Odilla; McLoughlin, Eilish

2016-01-01

This article describes the development of a lesson sequence that supports secondary-level students to construct an explanatory model for electrostatic attraction using a guided enquiry method. The students examine electrostatic interactions at a macro level and explain the phenomena at the atomic level. Pre-tests, post-tests, homework assignments…

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

NASA Technical Reports Server (NTRS)

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.

A Nonlinear Elasticity Model of Macromolecular Conformational Change Induced by Electrostatic Forces

PubMed Central

Zhou, Y. C.; Holst, Michael; McCammon, J. Andrew

2008-01-01

In this paper we propose a nonlinear elasticity model of macromolecular conformational change (deformation) induced by electrostatic forces generated by an implicit solvation model. The Poisson-Boltzmann equation for the electrostatic potential is analyzed in a domain varying with the elastic deformation of molecules, and a new continuous model of the electrostatic forces is developed to ensure solvability of the nonlinear elasticity equations. We derive the estimates of electrostatic forces corresponding to four types of perturbations to an electrostatic potential field, and establish the existance of an equilibrium configuration using a fixed-point argument, under the assumption that the change in the ionic strength and charges due to the additional molecules causing the deformation are sufficiently small. The results are valid for elastic models with arbitrarily complex dielectric interfaces and cavities, and can be generalized to large elastic deformation caused by high ionic strength, large charges, and strong external fields by using continuation methods. PMID:19461946

Monitoring by Control Technique - Electrostatic Precipitators

EPA Pesticide Factsheets

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.

Separability of electrostatic and hydrodynamic forces in particle electrophoresis

NASA Astrophysics Data System (ADS)

Todd, Brian A.; Cohen, Joel A.

2011-09-01

By use of optical tweezers we explicitly measure the electrostatic and hydrodynamic forces that determine the electrophoretic mobility of a charged colloidal particle. We test the ansatz of O'Brien and White [J. Chem. Soc. Faraday IIJCFTBS0300-923810.1039/f29787401607 74, 1607 (1978)] that the electrostatically and hydrodynamically coupled electrophoresis problem is separable into two simpler problems: (1) a particle held fixed in an applied electric field with no flow field and (2) a particle held fixed in a flow field with no applied electric field. For a system in the Helmholtz-Smoluchowski and Debye-Hückel regimes, we find that the electrostatic and hydrodynamic forces measured independently accurately predict the electrophoretic mobility within our measurement precision of 7%; the O'Brien and White ansatz holds under the conditions of our experiment.

Electrostatic Plasma Accelerator (EPA)

NASA Technical Reports Server (NTRS)

Brophy, John R.; Aston, Graeme

1995-01-01

The application of electric propulsion to communications satellites, however, has been limited to the use of hydrazine thrusters with electric heaters for thrust and specific impulse augmentation. These electrothermal thrusters operate at specific impulse levels of approximately 300 s with heater powers of about 500 W. Low power arcjets (1-3 kW) are currently being investigated as a way to increase specific impulse levels to approximately 500 s. Ion propulsion systems can easily produce specific impulses of 3000 s or greater, but have yet to be applied to communications satellites. The reasons most often given for not using ion propulsion systems are their high level of overall complexity, low thrust with long burn times, and the difficulty of integrating the propulsion system into existing commercial spacecraft busses. The Electrostatic Plasma Accelerator (EPA) is a thruster concept which promises specific impulse levels between low power arcjets and those of the ion engine while retaining the relative simplicity of the arcjet. The EPA thruster produces thrust through the electrostatic acceleration of a moderately dense plasma. No accelerating electrodes are used and the specific impulse is a direct function of the applied discharge voltage and the propellant atomic mass.

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

PubMed Central

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 receptor and model assumptions, the method computes the ligand-charge distribution that provides the most favorable balance of desolvation and interaction effects on binding. In this paper the method has been extended to treat complexes using actual molecular shapes. The barnase-barstar protein complex was investigated with barnase treated as a target receptor. The atomic point charges of barstar were varied to optimize the electrostatic binding free energy. Barnase and natural barstar form a tight complex (Kd ∼ 10−14 M) with many charged and polar groups near the interface that make this a particularly relevant system for investigating the role of electrostatic effects on binding. The results show that sets of barstar charges (resulting from optimization with different constraints) can be found that give rise to relatively large predicted improvements in electrostatic binding free energy. Principles for enhancing the effect of electrostatic interactions in molecular binding in aqueous environments are discussed in light of the optima. Our findings suggest that, in general, the enhancements in electrostatic binding free energy resulting from modification of polar and charged groups can be substantial. Moreover, a recently proposed definition of electrostatic complementarity is shown to be a useful tool for examining binding interfaces. Finally, calculational results suggest that wild-type barstar is closer to being affinity optimized than is barnase for their mutual binding

Cloverleaf microgyroscope with electrostatic alignment and tuning

NASA Technical Reports Server (NTRS)

Challoner, A. Dorian (Inventor); Gutierrez, Roman C. (Inventor); Tang, Tony K. (Inventor)

2007-01-01

A micro-gyroscope (10) having closed loop output operation by a control voltage (V.sub.ty), that is demodulated by a drive axis (x-axis) signal V.sub.thx of the sense electrodes (S1, S2), providing Coriolis torque rebalance to prevent displacement of the micro-gyroscope (10) on the output axis (y-axis) V.sub.thy.about.0. Closed loop drive axis torque, V.sub.tx maintains a constant drive axis amplitude signal, V.sub.thx. The present invention provides independent alignment and tuning of the micro-gyroscope by using separate electrodes and electrostatic bias voltages to adjust alignment and tuning. A quadrature amplitude signal, or cross-axis transfer function peak amplitude is used to detect misalignment that is corrected to zero by an electrostatic bias voltage adjustment. The cross-axis transfer function is either V.sub.thy/V.sub.ty or V.sub.tnx/V.sub.tx. A quadrature signal noise level, or difference in natural frequencies estimated from measurements of the transfer functions is used to detect residual mistuning, that is corrected to zero by a second electrostatic bias voltage adjustment.

Electrostatic Surface Modifications to Improve Gene Delivery

PubMed Central

Shmueli, Ron B.; Anderson, Daniel G.

2010-01-01

Importance of the field Gene therapy has the potential to treat a wide variety of diseases including genetic diseases and cancer. Areas covered in this review This review introduces biomaterials used for gene delivery and then focuses on the use of electrostatic surface modifications to improve gene delivery materials. These modifications have been used to stabilize therapeutics in vivo, add cell-specific targeting ligands, and promote controlled release. Coatings of nanoparticles and microparticles as well as non-particulate surface coatings are covered in this review. Electrostatic principles are crucial for the development of multilayer delivery structures fabricated by the layer-by-layer method. What the reader will gain The reader will gain knowledge about the composition of biomaterials used for surface modifications and how these coatings and multilayers can be utilized to improve spatial control and efficiency of delivery. Examples are shown for the delivery of nucleic acids, including DNA and siRNA, to in vitro and in vivo systems. Take home message The versatile and powerful approach of electrostatic coatings and multilayers will lead to the development of enhanced gene therapies. PMID:20201712

Electrostatic stabilizer for a passive magnetic bearing system

DOEpatents

Post, Richard F.

2015-11-24

Electrostatic stabilizers are provided for passive bearing systems composed of annular magnets having a net positive stiffness against radial displacements and that have a negative stiffness for vertical displacements, resulting in a vertical instability. Further embodiments are shown of a radial electrostatic stabilizer geometry (using circuitry similar to that employed in the vertical stabilizer). This version is suitable for stabilizing radial (lateral) displacements of a rotor that is levitated by annular permanent magnets that are stable against vertical displacements but are unstable against radial displacements.

Electrostatic stabilizer for a passive magnetic bearing system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Post, Richard F

2016-10-11

Electrostatic stabilizers are provided for passive bearing systems composed of annular magnets having a net positive stiffness against radial displacements and that have a negative stiffness for vertical displacements, resulting in a vertical instability. Further embodiments are shown of a radial electrostatic stabilizer geometry (using circuitry similar to that employed in the vertical stabilizer). This version is suitable for stabilizing radial (lateral) displacements of a rotor that is levitated by annular permanent magnets that are stable against vertical displacements but are unstable against radial displacements.

Electrostatic Evaluation of the Propellant Handlers Ensemble

NASA Technical Reports Server (NTRS)

Hogue, Michael D.; Calle, Carlos I.; Buhler, Charles

2006-01-01

The Self-Contained Atmospheric Protective Ensemble (SCAPE) used in propellant handling at NASA's Kennedy Space Center (KSC) has recently completed a series of tests to determine its electrostatic properties of the coverall fabric used in the Propellant Handlers Ensemble (PHE). Understanding these electrostatic properties are fundamental to ensuring safe operations when working with flammable rocket propellants such as hydrazine, methyl hydrazine, and unsymmetrical dimethyl hydrazine. These tests include surface resistivity, charge decay, triboelectric charging, and flame incendivity. In this presentation, we will discuss the results of these tests on the current PHE as well as new fabrics and materials being evaluated for the next generation of PHE.

Histidine in Continuum Electrostatics Protonation State Calculations

PubMed Central

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

Transverse-structure electrostatic charged particle beam lens

DOEpatents

Moran, M.J.

1998-10-13

Electrostatic particle-beam lenses using a concentric co-planar array of independently biased rings can be advantageous for some applications. Traditional electrostatic lenses often consist of axial series of biased rings, apertures, or tubes. The science of lens design has devoted much attention to finding axial arrangements that compensate for the substantial optical aberrations of the individual elements. Thus, as with multi-element lenses for light, a multi-element charged-particle lens can have optical behavior that is far superior to that of the individual elements. Transverse multiple-concentric-ring lenses achieve high performance, while also having advantages in terms of compactness and optical versatility. 7 figs.

Transverse-structure electrostatic charged particle beam lens

DOEpatents

Moran, Michael J.

1998-01-01

Electrostatic particle-beam lenses using a concentric co-planar array of independently biased rings can be advantageous for some applications. Traditional electrostatic lenses often consist of axial series of biased rings, apertures, or tubes. The science of lens design has devoted much attention to finding axial arrangements that compensate for the substantial optical aberrations of the individual elements. Thus, as with multi-element lenses for light, a multi-element charged-particle lens can have optical behavior that is far superior to that of the individual elements. Transverse multiple-concentric-ring lenses achieve high performance, while also having advantages in terms of compactness and optical versatility.

Electrostatic Fluxes and Plasma Rotation in the Edge Region of EXTRAP-T2R

NASA Astrophysics Data System (ADS)

Serianni, G.; Antoni, V.; Bergsåker, H.; Brunsell, P.; Drake, J. R.; Spolaore, M.; Sätherblom, H. E.; Vianello, N.

2001-10-01

The EXTRAP-T2 reversed field pinch has undergone a significant reconstruction into the new T2R device. This paper reports the first measurements performed with Langmuir probes in the edge region of EXTRAP-T2R. The radial profiles of plasma parameters like electron density and temperature, plasma potential, electrical fields and electrostatic turbulence-driven particle flux are presented. These profiles are interpreted in a momentum balance model where finite Larmor radius losses occur over a distance of about two Larmor radii from the limiter position. The double shear layer of the E×B drift velocity is discussed in terms of the Biglari-Diamond-Terry theory of turbulence decorrelation.

Electrostatic discharge control for STDN stations

NASA Technical Reports Server (NTRS)

Mckiernan, J.

1983-01-01

This manual defines the requirements and control methods necessary to control the effect of electrostatic discharges that damage or destroy electronic equipment components. Test procedures for measuring the effectiveness of the control are included.

Electrostatic and structural similarity of classical and non-classical lactam compounds

NASA Astrophysics Data System (ADS)

Coll, Miguel; Frau, Juan; Vilanova, Bartolomé; Donoso, Josefa; Muñoz, Francisco

2001-09-01

Various electrostatic and structural parameters for a series of classical and non-classical β-lactams were determined and compared in order to ascertain whether some specific β-lactams possess antibacterial or β-lactamase inhibitory properties. The electrostatic parameters obtained, based on the Distributed Multipole Analysis (DMA) of high-quality wavefunctions for the studied structures, suggest that some non-classical β-lactams effectively inhibit the action of β-lactamases. As shown in this work, such electrostatic parameters provide much more reliable information about the antibacterial and inhibitory properties of β-lactams than do structural parameters.

Electrostatic antenna space environment interaction study

NASA Technical Reports Server (NTRS)

Katz, I.

1981-01-01

The interactions of the electrostatic antenna with the space environment in both low Earth orbit and geosynchronous orbit are investigated. It is concluded that the electrostatically controlled membrane mirror is a viable concept for space applications. However, great care must be taken to enclose the high voltage electrodes in a Faraday cage structure to separate the high voltage region from the ambient plasma. For this reason, metallized cloth is not acceptable as a membrane material. Conventional spacecraft charging at geosynchronous orbit should not be a problem provided ancillary structures (such as booms) are given nonnegligible conductivity and adequate grounding. Power loss due to plasma electrons entering the high field region is a potentially serious problem. In low earth orbit any opening whatever in the Faraday cage is likely to produce an unacceptable power drain.

Resistivity Problems in Electrostatic Precipitation

ERIC Educational Resources Information Center

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)

Spacecraft Electrostatic Radiation Shielding

NASA Technical Reports Server (NTRS)

2008-01-01

This project analyzed the feasibility of placing an electrostatic field around a spacecraft to provide a shield against radiation. The concept was originally proposed in the 1960s and tested on a spacecraft by the Soviet Union in the 1970s. Such tests and analyses showed that this concept is not only feasible but operational. The problem though is that most of this work was aimed at protection from 10- to 100-MeV radiation. We now appreciate that the real problem is 1- to 2-GeV radiation. So, the question is one of scaling, in both energy and size. Can electrostatic shielding be made to work at these high energy levels and can it protect an entire vehicle? After significant analysis and consideration, an electrostatic shield configuration was proposed. The selected architecture was a torus, charged to a high negative voltage, surrounding the vehicle, and a set of positively charged spheres. Van de Graaff generators were proposed as the mechanism to move charge from the vehicle to the torus to generate the fields necessary to protect the spacecraft. This design minimized complexity, residual charge, and structural forces and resolved several concerns raised during the internal critical review. But, it still is not clear if such a system is costeffective or feasible, even though several studies have indicated usefulness for radiation protection at energies lower than that of the galactic cosmic rays. Constructing such a system will require power supplies that can generate voltages 10 times that of the state of the art. Of more concern is the difficulty of maintaining the proper net charge on the entire structure and ensuring that its interaction with solar wind will not cause rapid discharge. Yet, if these concerns can be resolved, such a scheme may provide significant radiation shielding to future vehicles, without the excessive weight or complexity of other active shielding techniques.

Ferroelectric polymer dielectrics: Emerging materials for future electrostatic energy storage applications

NASA Astrophysics Data System (ADS)

Panda, Maheswar

2018-05-01

In this manuscript, the dielectric behavior of a variety of ferroelectric polymer dielectrics (FPD), which may bethe materials for future electrostatic energy storage application shave been discussed. The variety of polymer dielectrics, comprising of ferroelectric polymer[polyvinylidene fluoride (PVDF)]/non-polarpolymer [low density polyethylene (LDPE)] and different sizes of metal particles (Ni, quasicrystal of Al-Cu-Fe) as filler, were prepared through different process conditions (cold press/hot press) and are investigated experimentally. Very high values of effective dielectric constants (ɛeff) with low loss tangent (Tan δ) were observed forall the prepared FPD at their respective percolation thresholds (fc). The enhancement of ɛeff and Tan δ at the insulator to metal transition (IMT) is explained through the boundary layer capacitor effect and the percolation theory respectively. The non-universal fc/critical exponents across the IMT have been explained through percolation theory andis attributed to the fillerparticle size& shape, interaction between the components, method of their preparation, adhesiveness, connectivity and homogeneity, etc. of the samples. Recent results on developed FPD with high ɛeff and low Tan δ prepared through cold press have proven themselves to be the better candidates for low frequency and static dielectric applications.

Optimization and experimental validation of electrostatic adhesive geometry

NASA Astrophysics Data System (ADS)

Ruffatto, D.; Shah, J.; Spenko, M.

This paper introduces a method to optimize the electrode geometry of electrostatic adhesives for robotic gripping, attachment, and manipulation applications. Electrostatic adhesion is achieved by applying a high voltage potential, on the order of kV, to a set of electrodes, which generates an electric field. The electric field polarizes the substrate material and creates an adhesion force. Previous attempts at creating electro-static adhesives have shown them to be effective, but researchers have made no effort to optimize the electrode configuration and geometry. We have shown that by optimizing the geometry of the electrode configuration, the electric field strength, and therefore the adhesion force, is enhanced. To accomplish this, Comsol Multiphysics was utilized to evaluate the average electric field generated by a given electrode geometry. Several electrode patterns were evaluated, including parallel conductors, concentric circles, Hilbert curves (a fractal geometry) and spirals. The arrangement of the electrodes in concentric circles with varying electrode widths proved to be the most effective. The most effective sizing was to use the smallest gap spacing allowable coupled with a variable electrode width. These results were experimentally validated on several different surfaces including drywall, wood, tile, glass, and steel. A new manufacturing process allowing for the fabrication of thin, conformal electro-static adhesive pads was utilized. By combining the optimized electrode geometry with the new fabrication process we are able to demonstrate a marked improvement of up to 500% in shear pressure when compared to previously published values.

Electrostatic Steering Accelerates C3d:CR2 Association

PubMed Central

2016-01-01

Electrostatic effects are ubiquitous in protein interactions and are found to be pervasive in the complement system as well. The interaction between complement fragment C3d and complement receptor 2 (CR2) has evolved to become a link between innate and adaptive immunity. Electrostatic interactions have been suggested to be the driving factor for the association of the C3d:CR2 complex. In this study, we investigate the effects of ionic strength and mutagenesis on the association of C3d:CR2 through Brownian dynamics simulations. We demonstrate that the formation of the C3d:CR2 complex is ionic strength-dependent, suggesting the presence of long-range electrostatic steering that accelerates the complex formation. Electrostatic steering occurs through the interaction of an acidic surface patch in C3d and the positively charged CR2 and is supported by the effects of mutations within the acidic patch of C3d that slow or diminish association. Our data are in agreement with previous experimental mutagenesis and binding studies and computational studies. Although the C3d acidic patch may be locally destabilizing because of unfavorable Coulombic interactions of like charges, it contributes to the acceleration of association. Therefore, acceleration of function through electrostatic steering takes precedence to stability. The site of interaction between C3d and CR2 has been the target for delivery of CR2-bound nanoparticle, antibody, and small molecule biomarkers, as well as potential therapeutics. A detailed knowledge of the physicochemical basis of C3d:CR2 association may be necessary to accelerate biomarker and drug discovery efforts. PMID:27092816

Electrostatic Steering Accelerates C3d:CR2 Association.

PubMed

Mohan, Rohith R; Huber, Gary A; Morikis, Dimitrios

2016-08-25

Electrostatic effects are ubiquitous in protein interactions and are found to be pervasive in the complement system as well. The interaction between complement fragment C3d and complement receptor 2 (CR2) has evolved to become a link between innate and adaptive immunity. Electrostatic interactions have been suggested to be the driving factor for the association of the C3d:CR2 complex. In this study, we investigate the effects of ionic strength and mutagenesis on the association of C3d:CR2 through Brownian dynamics simulations. We demonstrate that the formation of the C3d:CR2 complex is ionic strength-dependent, suggesting the presence of long-range electrostatic steering that accelerates the complex formation. Electrostatic steering occurs through the interaction of an acidic surface patch in C3d and the positively charged CR2 and is supported by the effects of mutations within the acidic patch of C3d that slow or diminish association. Our data are in agreement with previous experimental mutagenesis and binding studies and computational studies. Although the C3d acidic patch may be locally destabilizing because of unfavorable Coulombic interactions of like charges, it contributes to the acceleration of association. Therefore, acceleration of function through electrostatic steering takes precedence to stability. The site of interaction between C3d and CR2 has been the target for delivery of CR2-bound nanoparticle, antibody, and small molecule biomarkers, as well as potential therapeutics. A detailed knowledge of the physicochemical basis of C3d:CR2 association may be necessary to accelerate biomarker and drug discovery efforts.

Nonlinear parallel momentum transport in strong electrostatic turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Lu, E-mail: luwang@hust.edu.cn; Wen, Tiliang; Diamond, P. H.

2015-05-15

Most existing theoretical studies of momentum transport focus on calculating the Reynolds stress based on quasilinear theory, without considering the nonlinear momentum flux-〈v{sup ~}{sub r}n{sup ~}u{sup ~}{sub ∥}〉. However, a recent experiment on TORPEX found that the nonlinear toroidal momentum flux induced by blobs makes a significant contribution as compared to the Reynolds stress [Labit et al., Phys. Plasmas 18, 032308 (2011)]. In this work, the nonlinear parallel momentum flux in strong electrostatic turbulence is calculated by using a three dimensional Hasegawa-Mima equation, which is relevant for tokamak edge turbulence. It is shown that the nonlinear diffusivity is smaller thanmore » the quasilinear diffusivity from Reynolds stress. However, the leading order nonlinear residual stress can be comparable to the quasilinear residual stress, and so may be important to intrinsic rotation in tokamak edge plasmas. A key difference from the quasilinear residual stress is that parallel fluctuation spectrum asymmetry is not required for nonlinear residual stress.« less

Out-of-Plane Continuous Electrostatic Micro-Power Generators

PubMed Central

Mahmoud, M. A. E.; Abdel-Rahman, E. M.; Mansour, R. R.; El-Saadany, E. F.

2017-01-01

This paper presents an out-of-plane electrostatic micro-power generator (MPG). Electret-based continuous MPGs with different gaps and masses are fabricated to demonstrate the merits of this topology. Experimental results of the MPG demonstrate output power of 1 mW for a base acceleration amplitude and frequency of 0.08 g and 86 Hz. The MPGs also demonstrate a wideband harvesting bandwidth reaching up to 9 Hz. A free-flight and an impact mode model of electrostatic MPGs are also derived and validated by comparison to experimental results. PMID:28420151

Electrostatic beneficiation of ores on the moon surface

NASA Technical Reports Server (NTRS)

Inculet, I. I.; Criswell, D. R.

1979-01-01

The feasibility of the electrostatic beneficiation of lunar ores is studied. It is shown that the lunar environment with its sustained high vacuum, low temperature, and low acceleration of gravity, is suitable for the use of the electrostatic technique with magnetic as well as nonmagnetic ores. Only an initial coarse screening will be required prior to processing, as the lunar soil is already in fine particulate form. The low temperature and the absence of water suggest the use of tribo-electrification for the electric charging of lunar soils.

On the correct implementation of Fermi-Dirac statistics and electron trapping in nonlinear electrostatic plane wave propagation in collisionless plasmas

NASA Astrophysics Data System (ADS)

Schamel, Hans; Eliasson, Bengt

2016-05-01

Quantum statistics and electron trapping have a decisive influence on the propagation characteristics of coherent stationary electrostatic waves. The description of these strictly nonlinear structures, which are of electron hole type and violate linear Vlasov theory due to the particle trapping at any excitation amplitude, is obtained by a correct reduction of the three-dimensional Fermi-Dirac distribution function to one dimension and by a proper incorporation of trapping. For small but finite amplitudes, the holes become of cnoidal wave type and the electron density is shown to be described by a ϕ ( x ) 1 / 2 rather than a ϕ ( x ) expansion, where ϕ ( x ) is the electrostatic potential. The general coefficients are presented for a degenerate plasma as well as the quantum statistical analogue to these steady state coherent structures, including the shape of ϕ ( x ) and the nonlinear dispersion relation, which describes their phase velocity.

A Bridge between Two Important Problems in Optics and Electrostatics

ERIC Educational Resources Information Center

Capelli, R.; Pozzi, G.

2008-01-01

It is shown how the same physically appealing method can be applied to find analytic solutions for two difficult and apparently unrelated problems in optics and electrostatics. They are: (i) the diffraction of a plane wave at a perfectly conducting thin half-plane and (ii) the electrostatic field associated with a parallel array of stripes held at…

Research and Development of Electrostatic Accelerometers for Space Science Missions at HUST.

PubMed

Bai, Yanzheng; Li, Zhuxi; Hu, Ming; Liu, Li; Qu, Shaobo; Tan, Dingyin; Tu, Haibo; Wu, Shuchao; Yin, Hang; Li, Hongyin; Zhou, Zebing

2017-08-23

High-precision electrostatic accelerometers have achieved remarkable success in satellite Earth gravity field recovery missions. Ultralow-noise inertial sensors play important roles in space gravitational wave detection missions such as the Laser Interferometer Space Antenna (LISA) mission, and key technologies have been verified in the LISA Pathfinder mission. Meanwhile, at Huazhong University of Science and Technology (HUST, China), a space accelerometer and inertial sensor based on capacitive sensors and the electrostatic control technique have also been studied and developed independently for more than 16 years. In this paper, we review the operational principle, application, and requirements of the electrostatic accelerometer and inertial sensor in different space missions. The development and progress of a space electrostatic accelerometer at HUST, including ground investigation and space verification are presented.

Electrostatics of aquaporin and aquaglyceroporin channels correlates with their transport selectivity

PubMed Central

Oliva, Romina; Calamita, Giuseppe; Thornton, Janet M.; Pellegrini-Calace, Marialuisa

2010-01-01

Aquaporins are homotetrameric channel proteins, which allow the diffusion of water and small solutes across biological membranes. According to their transport function, aquaporins can be divided into “orthodox aquaporins”, which allow the flux of water molecules only, and “aquaglyceroporins”, which facilitate the diffusion of glycerol and other small solutes in addition to water. The contribution of individual residues in the pore to the selectivity of orthodox aquaporins and aquaglyceroporins is not yet fully understood. To gain insights into aquaporin selectivity, we focused on the sequence variation and electrostatics of their channels. The continuum Poisson-Boltzmann electrostatic potential along the channel was calculated and compared for ten three-dimensional-structures which are representatives of different aquaporin subfamilies, and a panel of functionally characterized mutants, for which high-accuracy three-dimensional-models could be derived. Interestingly, specific electrostatic profiles associated with the main selectivity to water or glycerol could be identified. In particular: (i) orthodox aquaporins showed a distinctive electrostatic potential maximum at the periplasmic side of the channel around the aromatic/Arg (ar/R) constriction site; (ii) aquaporin-0 (AQP0), a mammalian aquaporin with considerably low water permeability, had an additional deep minimum at the cytoplasmic side; (iii) aquaglyceroporins showed a rather flat potential all along the channel; and (iv) the bifunctional protozoan PfAQP had an unusual all negative profile. Evaluation of electrostatics of the mutants, along with a thorough sequence analysis of the aquaporin pore-lining residues, illuminated the contribution of specific residues to the electrostatics of the channels and possibly to their selectivity. PMID:20147624

Electrostatic stiffening and induced persistence length for coassembled molecular bottlebrushes

NASA Astrophysics Data System (ADS)

Storm, Ingeborg M.; Stuart, Martien A. Cohen; de Vries, Renko; Leermakers, Frans A. M.

2018-03-01

A self-consistent field analysis for tunable contributions to the persistence length of isolated semiflexible polymer chains including electrostatically driven coassembled deoxyribonucleic acid (DNA) bottlebrushes is presented. When a chain is charged, i.e., for polyelectrolytes, there is, in addition to an intrinsic rigidity, an electrostatic stiffening effect, because the electric double layer resists bending. For molecular bottlebrushes, there is an induced contribution due to the grafts. We explore cases beyond the classical phantom main-chain approximation and elaborate molecularly more realistic models where the backbone has a finite volume, which is necessary for treating coassembled bottlebrushes. We find that the way in which the linear charge density or the grafting density is regulated is important. Typically, the stiffening effect is reduced when there is freedom for these quantities to adapt to the curvature stresses. Electrostatically driven coassembled bottlebrushes, however, are relatively stiff because the chains have a low tendency to escape from the compressed regions and the electrostatic binding force is largest in the convex part. For coassembled bottlebrushes, the induced persistence length is a nonmonotonic function of the polymer concentration: For low polymer concentrations, the stiffening grows quadratically with coverage; for semidilute polymer concentrations, the brush chains retract and regain their Gaussian size. When doing so, they lose their induced persistence length contribution. Our results correlate well with observed physical characteristics of electrostatically driven coassembled DNA-bioengineered protein-polymer bottlebrushes.

An anisotropic hydrogel with electrostatic repulsion between cofacially aligned nanosheets

NASA Astrophysics Data System (ADS)

Liu, Mingjie; Ishida, Yasuhiro; Ebina, Yasuo; Sasaki, Takayoshi; Hikima, Takaaki; Takata, Masaki; Aida, Takuzo

2015-01-01

Machine technology frequently puts magnetic or electrostatic repulsive forces to practical use, as in maglev trains, vehicle suspensions or non-contact bearings. In contrast, materials design overwhelmingly focuses on attractive interactions, such as in the many advanced polymer-based composites, where inorganic fillers interact with a polymer matrix to improve mechanical properties. However, articular cartilage strikingly illustrates how electrostatic repulsion can be harnessed to achieve unparalleled functional efficiency: it permits virtually frictionless mechanical motion within joints, even under high compression. Here we describe a composite hydrogel with anisotropic mechanical properties dominated by electrostatic repulsion between negatively charged unilamellar titanate nanosheets embedded within it. Crucial to the behaviour of this hydrogel is the serendipitous discovery of cofacial nanosheet alignment in aqueous colloidal dispersions subjected to a strong magnetic field, which maximizes electrostatic repulsion and thereby induces a quasi-crystalline structural ordering over macroscopic length scales and with uniformly large face-to-face nanosheet separation. We fix this transiently induced structural order by transforming the dispersion into a hydrogel using light-triggered in situ vinyl polymerization. The resultant hydrogel, containing charged inorganic structures that align cofacially in a magnetic flux, deforms easily under shear forces applied parallel to the embedded nanosheets yet resists compressive forces applied orthogonally. We anticipate that the concept of embedding anisotropic repulsive electrostatics within a composite material, inspired by articular cartilage, will open up new possibilities for developing soft materials with unusual functions.

An anisotropic hydrogel with electrostatic repulsion between cofacially aligned nanosheets.

PubMed

Liu, Mingjie; Ishida, Yasuhiro; Ebina, Yasuo; Sasaki, Takayoshi; Hikima, Takaaki; Takata, Masaki; Aida, Takuzo

2015-01-01

Machine technology frequently puts magnetic or electrostatic repulsive forces to practical use, as in maglev trains, vehicle suspensions or non-contact bearings. In contrast, materials design overwhelmingly focuses on attractive interactions, such as in the many advanced polymer-based composites, where inorganic fillers interact with a polymer matrix to improve mechanical properties. However, articular cartilage strikingly illustrates how electrostatic repulsion can be harnessed to achieve unparalleled functional efficiency: it permits virtually frictionless mechanical motion within joints, even under high compression. Here we describe a composite hydrogel with anisotropic mechanical properties dominated by electrostatic repulsion between negatively charged unilamellar titanate nanosheets embedded within it. Crucial to the behaviour of this hydrogel is the serendipitous discovery of cofacial nanosheet alignment in aqueous colloidal dispersions subjected to a strong magnetic field, which maximizes electrostatic repulsion and thereby induces a quasi-crystalline structural ordering over macroscopic length scales and with uniformly large face-to-face nanosheet separation. We fix this transiently induced structural order by transforming the dispersion into a hydrogel using light-triggered in situ vinyl polymerization. The resultant hydrogel, containing charged inorganic structures that align cofacially in a magnetic flux, deforms easily under shear forces applied parallel to the embedded nanosheets yet resists compressive forces applied orthogonally. We anticipate that the concept of embedding anisotropic repulsive electrostatics within a composite material, inspired by articular cartilage, will open up new possibilities for developing soft materials with unusual functions.

Infrasound pulses from lightning and electrostatic field changes: Observation and discussion

NASA Astrophysics Data System (ADS)

Chum, J.; Diendorfer, G.; Å indelářová, T.; Baše, J.; Hruška, F.

2013-10-01

Narrow (~1-2 s) infrasound pulses that followed, with ~11 to ~50 s delays, rapid changes of electrostatic field were observed by a microbarometer array in the Czech Republic during thunderstorm activity. A positive pressure fluctuation (compression phase) always preceded decompression; the compression was usually higher than the decompression. The angles of arrival (azimuth and elevation) were analyzed for selected distinct events. Comparisons of distances and azimuths of infrasound sources from the center of microbarometer array with lightning locations determined by the European Cooperation for Lighting Detection lightning detection network show that most of the selected events can be very likely associated with intracloud (IC) discharges. The preceding rapid changes of electrostatic field, their potential association with IC discharges, and high-elevation angles of arrival for near infrasound sources indicate that an electrostatic mechanism is probably responsible for their generation. It is discussed that distinguishing the relative role of thermal and electrostatic mechanism is difficult and that none of the published models of electrostatic production of infrasound thunder can explain the presented observations precisely. A modification of the current models, based on consideration of at least two charged layers, is suggested. Further theoretical and experimental investigations are however needed to get a better description of the generation mechanism.

Role of electrostatic interactions during protein ultrafiltration.

PubMed

Rohani, Mahsa M; Zydney, Andrew L

2010-10-15

A number of studies over the last decade have clearly demonstrated the importance of electrostatic interactions on the transport of charged proteins through semipermeable ultrafiltration membranes. This paper provides a review of recent developments in this field with a focus on the role of both protein and membrane charge on the rate of protein transport. Experimental results are analyzed using available theoretical models developed from the solution of the Poisson-Boltzmann equation for the partitioning of a charged particle into a charged pore. The potential of exploiting these electrostatic interactions for selective protein separations and for the development of ultrafiltration membranes with enhanced performance characteristics is also examined. Copyright © 2010 Elsevier B.V. All rights reserved.

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

PubMed

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 (d 0 ) of the uncharged brush. This deviation may result in enhancement or lowering of the brush height as compared to d 0 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.

The self-consistent parallel electric field due to electrostatic ion-cyclotron turbulence in downward auroral-current regions of the Earth's magnetosphere. IV

NASA Astrophysics Data System (ADS)

Jasperse, John R.; Basu, Bamandas; Lund, Eric J.; Grossbard, Neil

2010-06-01

The physical processes that determine the self-consistent electric field (E∥) parallel to the magnetic field have been an unresolved problem in magnetospheric physics for over 40 years. Recently, a new multimoment fluid theory was developed for inhomogeneous, nonuniformly magnetized plasma in the guiding-center and gyrotropic approximation that includes the effect of electrostatic, turbulent, wave-particle interactions (see Jasperse et al. [Phys. Plasmas 13, 072903 (2006); Jasperse et al., Phys. Plasmas13, 112902 (2006)]). In the present paper and its companion paper [Jasperse et al., Phys. Plasmas 17, 062903 (2010)], which are intended as sequels to the earlier work, a fundamental model for downward, magnetic field-aligned (Birkeland) currents for quasisteady conditions is presented. The model includes the production of electrostatic ion-cyclotron turbulence in the long-range potential region by an electron, bump-on-tail-driven ion-cyclotron instability. Anomalous momentum transfer (anomalous resistivity) by itself is found to produce a very small contribution to E∥; however, the presence of electrostatic, ion-cyclotron turbulence has a very large effect on the altitude dependence of the entire quasisteady solution. Anomalous energy transfer (anomalous heating and cooling) modifies the density, drift, and temperature altitude profiles and hence the generalized parallel-pressure gradients and mirror forces in the electron and ion momentum-balance equations. As a result, |E∥| is enhanced by nearly a factor of 40 compared to its value when turbulence is absent. The space-averaged potential increase associated with the strong double layer at the bottom of the downward-current sheet is estimated using the FAST satellite data and the multimoment fluid theory.

Molecular electrostatics for probing lone pair-π interactions.

PubMed

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

2013-11-14

An electrostatics-based approach has been proposed for probing the weak interactions between lone pair containing molecules and π deficient molecular systems. For electron-rich molecules, the negative minima in molecular electrostatic potential (MESP) topography give the location of electron localization and the MESP value at the minimum (Vmin) quantifies the electron-rich character of that region. Interactive behavior of a lone pair bearing molecule with electron deficient π-systems, such as hexafluorobenzene, 1,3,5-trinitrobenzene, 2,4,6-trifluoro-1,3,5-triazine and 1,2,4,5-tetracyanobenzene explored within DFT brings out good correlation of the lone pair-π interaction energy (E(int)) with the Vmin value of the electron-rich system. Such interaction is found to be portrayed well with the Electrostatic Potential for Intermolecular Complexation (EPIC) model. On the basis of the precise location of MESP minimum, a prediction for the orientation of a lone pair bearing molecule with an electron deficient π-system is possible in the majority of the cases studied.

Vertical electrostatic force in MEMS cantilever IR sensor

NASA Astrophysics Data System (ADS)

Rezadad, Imen; Boroumand Azad, Javaneh; Smith, Evan M.; Alhasan, Ammar; Peale, Robert E.

2014-06-01

A MEMS cantilever IR detector that repetitively lifts from the surface under the influence of a saw-tooth electrostatic force, where the contact duty cycle is a measure of the absorbed IR radiation, is analyzed. The design is comprised of three parallel conducting plates. Fixed buried and surface plates are held at opposite potential. A moveable cantilever is biased the same as the surface plate. Calculations based on energy methods with position-dependent capacity and electrostatic induction coefficients demonstrate the upward sign of the force on the cantilever and determine the force magnitude. 2D finite element method calculations of the local fields confirm the sign of the force and determine its distribution across the cantilever. The upward force is maximized when the surface plate is slightly larger than the other two. The electrostatic repulsion is compared with Casimir sticking force to determine the maximum useful contact area. MEMS devices were fabricated and the vertical displacement of the cantilever was observed in a number of experiments. The approach may be applied also to MEMS actuators and micromirrors.

Electrostatic Similarity Analysis of Human β-Defensin Binding in the Melanocortin System

PubMed Central

Nix, Matthew A.; Kaelin, Christopher B.; Palomino, Rafael; Miller, Jillian L.; Barsh, Gregory S.; Millhauser, Glenn L.

2015-01-01

Summary The β-defensins are a class of small cationic proteins that serve as components of numerous systems in vertebrate biology, including the immune and melanocortin systems. Human β-defensin 3 (HBD3), which is produced in the skin, has been found to bind to melanocortin receptors 1 and 4 through complementary electrostatics, a unique mechanism of ligand-receptor interaction. This finding indicates that electrostatics alone, and not specific amino acid contact points, could be sufficient for function in this ligand-receptor system, and further suggests that other small peptide ligands could interact with these receptors in a similar fashion. Here, we conducted molecular-similarity analyses and functional studies of additional members of the human β-defensin family, examining their potential as ligands of melanocortin-1 receptor, through selection based on their electrostatic similarity to HBD3. Using Poisson-Boltzmann electrostatic calculations and molecular-similarity analysis, we identified members of the human β-defensin family that are both similar and dissimilar to HBD3 in terms of electrostatic potential. Synthesis and functional testing of a subset of these β-defensins showed that peptides with an HBD3-like electrostatic character bound to melanocortin receptors with high affinity, whereas those that were anticorrelated to HBD3 showed no binding affinity. These findings expand on the central role of electrostatics in the control of this ligand-receptor system and further demonstrate the utility of employing molecular-similarity analysis. Additionally, we identified several new potential ligands of melanocortin-1 receptor, which may have implications for our understanding of the role defensins play in melanocortin physiology. PMID:26536271

Electrostatic dust transport on the surfaces of airless bodies

NASA Astrophysics Data System (ADS)

Wang, X.; Schwan, J.; Hsu, H. W.; Horanyi, M.

2015-12-01

The surfaces of airless bodies are charged due to the exposure to solar wind plasma and UV radiation. Dust particles on the regolith of these surfaces can become charged, and may move and even get lofted due to electrostatic force. Electrostatic dust transport has been a long-standing problem that may be related to many observed phenomena on the surfaces of airless planetary bodies, including the lunar horizon glow, the dust ponds on asteroid Eros, the spokes in Saturn's rings, and more recently, the collection of dust particles ejected off Comet 67P, observed by Rosetta. In order to resolve these puzzles, a handful of laboratory experiments have been performed in the past and demonstrated that dust indeed moves and lifts from surfaces exposed to plasma. However, the exact mechanisms for the mobilization of dust particles still remain a mystery. Current charging models, including the so-called "shared charge model" and the charge fluctuation theory, will be discussed. It is found that neither of these models can explain the results from either laboratory experiments or in-situ observations. Recently, single dust trajectories were captured with our new dust experiments, enabling novel micro-scale investigations. The particles' initial launch speeds and size distributions are analyzed, and a new so-called "patched charge model" is proposed to explain our findings. We identify the role of plasma micro-cavities that are formed in-between neighboring dust particles. The emitted secondary or photo- electrons are proposed to be absorbed inside the micro-cavities, resulting in significant charge accumulation on the exposed patches of the surfaces of neighboring particles. The resulting enhanced Coulomb force (repulsion) between particles is likely the dominant force to mobilize and lift them off the surface. The role of other properties, including surface morphology, cohesion and photoelectron charging, will also be discussed.

Physical and chemical test results of electrostatic safe flooring materials

NASA Technical Reports Server (NTRS)

Gompf, R. H.

1988-01-01

This test program was initiated because a need existed at the Kennedy Space Center (KSC) to have this information readily available to the engineer who must make the choice of which electrostatic safe floor to use in a specific application. The information, however, should be of value throughout both the government and private industry in the selection of a floor covering material. Included are the test results of 18 floor covering materials which by test evaluation at KSC are considered electrostatically safe. Tests were done and/or the data compiled in the following areas: electrostatics, flammability, hypergolic compatibility, outgassing, floor type, material thickness, and available colors. Each section contains the test method used to gather the data and the test results.

Entropic and Electrostatic Effects on the Folding Free Energy of a Surface-Attached Biomolecule: An Experimental and Theoretical Study

PubMed Central

Watkins, Herschel M.; Vallée-Bélisle, Alexis; Ricci, Francesco; Makarov, Dmitrii E.; Plaxco, Kevin W.

2012-01-01

Surface-tethered biomolecules play key roles in many biological processes and biotechnologies. However, while the physical consequences of such surface attachment have seen significant theoretical study, to date this issue has seen relatively little experimental investigation. In response we present here a quantitative experimental and theoretical study of the extent to which attachment to a charged –but otherwise apparently inert– surface alters the folding free energy of a simple biomolecule. Specifically, we have measured the folding free energy of a DNA stem loop both in solution and when site-specifically attached to a negatively charged, hydroxyl-alkane-coated gold surface. We find that, whereas surface attachment is destabilizing at low ionic strength it becomes stabilizing at ionic strengths above ~130 mM. This behavior presumably reflects two competing mechanisms: excluded volume effects, which stabilize the folded conformation by reducing the entropy of the unfolded state, and electrostatics, which, at lower ionic strengths, destabilizes the more compact folded state via repulsion from the negatively charged surface. To test this hypothesis we have employed existing theories of the electrostatics of surface-bound polyelectrolytes and the entropy of surface-bound polymers to model both effects. Despite lacking any fitted parameters, these theoretical models quantitatively fit our experimental results, suggesting that, for this system, current knowledge of both surface electrostatics and excluded volume effects is reasonably complete and accurate. PMID:22239220

Research and Development of Electrostatic Accelerometers for Space Science Missions at HUST

PubMed Central

Bai, Yanzheng; Li, Zhuxi; Hu, Ming; Liu, Li; Qu, Shaobo; Tan, Dingyin; Tu, Haibo; Wu, Shuchao; Yin, Hang; Li, Hongyin; Zhou, Zebing

2017-01-01

High-precision electrostatic accelerometers have achieved remarkable success in satellite Earth gravity field recovery missions. Ultralow-noise inertial sensors play important roles in space gravitational wave detection missions such as the Laser Interferometer Space Antenna (LISA) mission, and key technologies have been verified in the LISA Pathfinder mission. Meanwhile, at Huazhong University of Science and Technology (HUST, China), a space accelerometer and inertial sensor based on capacitive sensors and the electrostatic control technique have also been studied and developed independently for more than 16 years. In this paper, we review the operational principle, application, and requirements of the electrostatic accelerometer and inertial sensor in different space missions. The development and progress of a space electrostatic accelerometer at HUST, including ground investigation and space verification are presented. PMID:28832538

On the role of electrostatics in protein-protein interactions

NASA Astrophysics Data System (ADS)

Zhang, Zhe; Witham, Shawn; Alexov, Emil

2011-06-01

The role of electrostatics in protein-protein interactions and binding is reviewed in this paper. A brief outline of the computational modeling, in the framework of continuum electrostatics, is presented and the basic electrostatic effects occurring upon the formation of the complex are discussed. The effect of the salt concentration and pH of the water phase on protein-protein binding free energy is demonstrated which 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 compartments. The similarities and differences between hetero- and homo-complexes are outlined and discussed with respect to the binding mode and charge complementarity.

In Situ Test Method for the Electrostatic Characterization of Lunar Dust

NASA Technical Reports Server (NTRS)

Buhler, C. R.; Calle, Carlos I.; CLements, S. J.; Mantovani, J.; Ritz, M. I.

2007-01-01

This paper serves to illustrate the testing methods necessary to classify the electrostatic properties of lunar dust using in situ instrumentation and the required techniques therein. A review of electrostatic classification of lunar simulant materials is provided as is its relevance to the success of future human lunar missions.

Prospects and challenges of touchless electrostatic detumbling of small bodies

NASA Astrophysics Data System (ADS)

Bennett, Trevor; Stevenson, Daan; Hogan, Erik; Schaub, Hanspeter

2015-08-01

The prospects of touchlessly detumbling a small, multiple meters in size, space object using electrostatic forces are intriguing. Physically capturing an object with a large rotation rate poses significant momentum transfer and collision risks. If the spin rate is reduced to less than 1 deg/s, relative motion sensing and control associated with mechanical docking becomes manageable. In particular, this paper surveys the prospects and challenges of detumbling large debris objects near Geostationary Earth Orbit for active debris remediation, and investigates if such electrostatic tractors are suitable for small asteroids being considered for asteroid retrieval missions. Active charge transfer is used to impart arresting electrostatic torques on such objects, given that they are sufficiently non-spherical. The concept of touchless electrostatic detumbling of space debris is outlined through analysis and experiments and is shown to hold great promise to arrest the rotation within days to weeks. However, even conservatively optimistic simulations of small asteroid detumbling scenarios indicate that such a method could take over a year to arrest the asteroid rotation. The numerical debris detumbling simulation includes a charge transfer model in a space environment, and illustrates how a conducting rocket body could be despun without physical contact.

The electrostatic characteristics of G·U wobble base pairs

PubMed Central

Xu, Darui; Landon, Theresa; Greenbaum, Nancy L.; Fenley, Marcia O.

2007-01-01

G·U wobble base pairs are the most common and highly conserved non-Watson–Crick base pairs in RNA. Previous surface maps imply uniformly negative electrostatic potential at the major groove of G·U wobble base pairs embedded in RNA helices, suitable for entrapment of cationic ligands. In this work, we have used a Poisson–Boltzmann approach to gain a more detailed and accurate characterization of the electrostatic profile. We found that the major groove edge of an isolated G·U wobble displays distinctly enhanced negativity compared with standard GC or AU base pairs; however, in the context of different helical motifs, the electrostatic pattern varies. G·U wobbles with distinct widening have similar major groove electrostatic potentials to their canonical counterparts, whereas those with minimal widening exhibit significantly enhanced electronegativity, ranging from 0.8 to 2.5 kT/e, depending upon structural features. We propose that the negativity at the major groove of G·U wobble base pairs is determined by the combined effect of the base atoms and the sugar-phosphate backbone, which is impacted by stacking pattern and groove width as a result of base sequence. These findings are significant in that they provide predictive power with respect to which G·U sites in RNA are most likely to bind cationic ligands. PMID:17526525

Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, A.; Sabirianov, R. F.; Mei, W. N.; Namavar, F.; Khoynezhad, A.

2010-08-01

Using a nonlocal electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an ordered interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach.

PubMed

Rubinstein, A; Sabirianov, R F; Mei, W N; Namavar, F; Khoynezhad, A

2010-08-01

Using a nonlocal electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an ordered interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

On the theory of electric double layer with explicit account of a polarizable co-solvent.

PubMed

Budkov, Yu A; Kolesnikov, A L; Kiselev, M G

2016-05-14

We present a continuation of our theoretical research into the influence of co-solvent polarizability on a differential capacitance of the electric double layer. We formulate a modified Poisson-Boltzmann theory, using the formalism of density functional approach on the level of local density approximation taking into account the electrostatic interactions of ions and co-solvent molecules as well as their excluded volume. We derive the modified Poisson-Boltzmann equation, considering the three-component symmetric lattice gas model as a reference system and minimizing the grand thermodynamic potential with respect to the electrostatic potential. We apply present modified Poisson-Boltzmann equation to the electric double layer theory, showing that accounting for the excluded volume of co-solvent molecules and ions slightly changes the main result of our previous simplified theory. Namely, in the case of small co-solvent polarizability with its increase under the enough small surface potentials of electrode, the differential capacitance undergoes the significant growth. Oppositely, when the surface potential exceeds some threshold value (which is slightly smaller than the saturation potential), the increase in the co-solvent polarizability results in a differential capacitance decrease. However, when the co-solvent polarizability exceeds some threshold value, its increase generates a considerable enhancement of the differential capacitance in a wide range of surface potentials. We demonstrate that two qualitatively different behaviors of the differential capacitance are related to the depletion and adsorption of co-solvent molecules at the charged electrode. We show that an additive of the strongly polarizable co-solvent to an electrolyte solution can shift significantly the saturation potential in two qualitatively different manners. Namely, a small additive of strongly polarizable co-solvent results in a shift of saturation potential to higher surface potentials. On

Electrostatically Accelerated Encounter and Folding for Facile Recognition of Intrinsically Disordered Proteins

PubMed Central

Ganguly, Debabani; Zhang, Weihong; Chen, Jianhan

2013-01-01

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 kinetics for

Electrostatic steering and ionic tethering in enzyme-ligand binding: insights from simulations.

PubMed

Wade, R C; Gabdoulline, R R; Lüdemann, S K; Lounnas, V

1998-05-26

To bind at an enzyme's active site, a ligand must diffuse or be transported to the enzyme's surface, and, if the binding site is buried, the ligand must diffuse through the protein to reach it. Although the driving force for ligand binding is often ascribed to the hydrophobic effect, electrostatic interactions also influence the binding process of both charged and nonpolar ligands. First, electrostatic steering of charged substrates into enzyme active sites is discussed. This is of particular relevance for diffusion-influenced enzymes. By comparing the results of Brownian dynamics simulations and electrostatic potential similarity analysis for triose-phosphate isomerases, superoxide dismutases, and beta-lactamases from different species, we identify the conserved features responsible for the electrostatic substrate-steering fields. The conserved potentials are localized at the active sites and are the primary determinants of the bimolecular association rates. Then we focus on a more subtle effect, which we will refer to as "ionic tethering." We explore, by means of molecular and Brownian dynamics simulations and electrostatic continuum calculations, how salt links can act as tethers between structural elements of an enzyme that undergo conformational change upon substrate binding, and thereby regulate or modulate substrate binding. This is illustrated for the lipase and cytochrome P450 enzymes. Ionic tethering can provide a control mechanism for substrate binding that is sensitive to the electrostatic properties of the enzyme's surroundings even when the substrate is nonpolar.

Electrostatic steering and ionic tethering in enzyme–ligand binding: Insights from simulations

PubMed Central

Wade, Rebecca C.; Gabdoulline, Razif R.; Lüdemann, Susanna K.; Lounnas, Valère

1998-01-01

To bind at an enzyme’s active site, a ligand must diffuse or be transported to the enzyme’s surface, and, if the binding site is buried, the ligand must diffuse through the protein to reach it. Although the driving force for ligand binding is often ascribed to the hydrophobic effect, electrostatic interactions also influence the binding process of both charged and nonpolar ligands. First, electrostatic steering of charged substrates into enzyme active sites is discussed. This is of particular relevance for diffusion-influenced enzymes. By comparing the results of Brownian dynamics simulations and electrostatic potential similarity analysis for triose-phosphate isomerases, superoxide dismutases, and β-lactamases from different species, we identify the conserved features responsible for the electrostatic substrate-steering fields. The conserved potentials are localized at the active sites and are the primary determinants of the bimolecular association rates. Then we focus on a more subtle effect, which we will refer to as “ionic tethering.” We explore, by means of molecular and Brownian dynamics simulations and electrostatic continuum calculations, how salt links can act as tethers between structural elements of an enzyme that undergo conformational change upon substrate binding, and thereby regulate or modulate substrate binding. This is illustrated for the lipase and cytochrome P450 enzymes. Ionic tethering can provide a control mechanism for substrate binding that is sensitive to the electrostatic properties of the enzyme’s surroundings even when the substrate is nonpolar. PMID:9600896

Relationship between ion pair geometries and electrostatic strengths in proteins.

PubMed Central

Kumar, Sandeep; Nussinov, Ruth

2002-01-01

The electrostatic free energy contribution of an ion pair in a protein depends on two factors, geometrical orientation of the side-chain charged groups with respect to each other and the structural context of the ion pair in the protein. Conformers in NMR ensembles enable studies of the relationship between geometry and electrostatic strengths of ion pairs, because the protein structural contexts are highly similar across different conformers. We have studied this relationship using a dataset of 22 unique ion pairs in 14 NMR conformer ensembles for 11 nonhomologous proteins. In different NMR conformers, the ion pairs are classified as salt bridges, nitrogen-oxygen (N-O) bridges and longer-range ion pairs on the basis of geometrical criteria. In salt bridges, centroids of the side-chain charged groups and at least a pair of side-chain nitrogen and oxygen atoms of the ion-pairing residues are within a 4 A distance. In N-O bridges, at least a pair of the side-chain nitrogen and oxygen atoms of the ion-pairing residues are within 4 A distance, but the distance between the side-chain charged group centroids is greater than 4 A. In the longer-range ion pairs, the side-chain charged group centroids as well as the side-chain nitrogen and oxygen atoms are more than 4 A apart. Continuum electrostatic calculations indicate that most of the ion pairs have stabilizing electrostatic contributions when their side-chain charged group centroids are within 5 A distance. Hence, most (approximately 92%) of the salt bridges and a majority (68%) of the N-O bridges are stabilizing. Most (approximately 89%) of the destabilizing ion pairs are the longer-range ion pairs. In the NMR conformer ensembles, the electrostatic interaction between side-chain charged groups of the ion-pairing residues is the strongest for salt bridges, considerably weaker for N-O bridges, and the weakest for longer-range ion pairs. These results suggest empirical rules for stabilizing electrostatic interactions in

Narrow infrasound pulses from lightning; are they of electrostatic or thermal origin?

NASA Astrophysics Data System (ADS)

CHUM, Jaroslav; Diendorfer, Gerhard; Šindelářová, Tereza; Baše, Jiří; Hruška, František

2014-05-01

Narrow (~1-2 s) infrasound pulses that followed, with ~11 to ~50 s delays, rapid changes of electrostatic field were observed by a microbarometer array in the Czech Republic during thunderstorm activity. The angles of arrival (azimuth and elevation) were analyzed for selected distinct events. Comparisons of distances and azimuths of infrasound sources from the center of microbarometer array with lightning locations determined by EUCLID lightning detection network show that most of the selected events are most likely associated with intra-cloud (IC) discharges. Preceding rapid changes of electrostatic field, potential association of infrasound pulses with IC discharges, and high elevation angles of arrival for near infrasound sources indicate that an electrostatic mechanism is probably responsible for their generation. It is discussed that distinguishing of the relative role of thermal and electrostatic mechanism is difficult, and that none of published models of electrostatic production of infrasound thunder can explain the presented observations precisely. A modification of the current models, based on consideration of at least two charged layers is suggested. Further theoretical and experimental investigations are however needed to get a better description of the generation mechanism of those infrasound pulses.

Electrostatic Characterization of Lunar Dust Simulants

NASA Technical Reports Server (NTRS)

Calle, C. I.; Buhler, C. R.; Ritz, M. L.

2008-01-01

Lunar dust can jeopardize exploration activities due to its ability to cling to most surfaces. In this paper, we report on our measurements of the electrostatic properties of the lunar soil simulants. Methods have been developed to measure the volume resistivity, dielectric constant, chargeability, and charge decay of lunar soil. While the first two parameters have been measured in the past [Olhoeft 1974], the last two have never been measured directly on the lunar regolith or on any of the Apollo samples. Measurements of the electrical properties of the lunar samples are being performed in an attempt to answer important problems that must be solved for the development of an effective dust mitigation technology, namely, how much charge can accumulate on the dust and how long does the charge remain on surfaces. The measurements will help develop coatings that are compatible with the intrinsic electrostatic properties of the lunar regolith.

Electrostatics of two-dimensional lateral junctions.

PubMed

Chaves, Ferney A; Jiménez, David

2018-07-06

The increasing technological control of two-dimensional (2D) materials has allowed the demonstration of 2D lateral junctions exhibiting unique properties that might serve as the basis for a new generation of 2D electronic and optoelectronic devices. Notably, the chemically doped MoS 2 homojunction, the WSe 2 -MoS 2 monolayer and MoS 2 monolayer/multilayer heterojunctions, have been demonstrated. Here we report the investigation of 2D lateral junction electrostatics, which differs from the bulk case because of the weaker screening, producing a much longer transition region between the space-charge region and the quasi-neutral region, making inappropriate the use of the complete-depletion region approximation. For such a purpose we have developed a method based on the conformal mapping technique to solve the 2D electrostatics, widely applicable to every kind of junctions, giving accurate results for even large asymmetric charge distribution scenarios.

Electrostatics of two-dimensional lateral junctions

NASA Astrophysics Data System (ADS)

Chaves, Ferney A.; Jiménez, David

2018-07-01

The increasing technological control of two-dimensional (2D) materials has allowed the demonstration of 2D lateral junctions exhibiting unique properties that might serve as the basis for a new generation of 2D electronic and optoelectronic devices. Notably, the chemically doped MoS2 homojunction, the WSe2-MoS2 monolayer and MoS2 monolayer/multilayer heterojunctions, have been demonstrated. Here we report the investigation of 2D lateral junction electrostatics, which differs from the bulk case because of the weaker screening, producing a much longer transition region between the space-charge region and the quasi-neutral region, making inappropriate the use of the complete-depletion region approximation. For such a purpose we have developed a method based on the conformal mapping technique to solve the 2D electrostatics, widely applicable to every kind of junctions, giving accurate results for even large asymmetric charge distribution scenarios.

Membrane protein properties revealed through data-rich electrostatics calculations

PubMed Central

Guerriero, Christopher J.; Brodsky, Jeffrey L.; Grabe, Michael

2015-01-01

SUMMARY 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. PMID:26118532

On the role of electrostatics on protein-protein interactions

PubMed Central

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

A theory of Jovian decameter radiation

NASA Technical Reports Server (NTRS)

Goldstein, M. L.; Sharma, R. R.; Papadopoulos, K.; Ben-Ari, M.; Eviatar, A.

1983-01-01

A theory of the Jovian decameter radiation is presented based on the assumed existence of beams of energetic electrons in the inner Jovian magnetosphere. Beam-like electron distributions are shown to be unstable to the growth of both upper hybrid and lower hybrid electrostatic waves. The upconversion of these waves to fast extraordinary mode electromagnetic radiation is calculated by using a fluid model. Two possibilities are considered. First, a random phase approximation is made which leads to a very conservative estimate of intensity that can be expected in decameter radiation. The alternative possibility is also considered, viz, that the upconversion process is coherent. A comparison of both processes suggests that an incoherent interaction may be adequate to account for the observed intensity of decametric radiation, except perhaps near the peak of the spectrum (8 MHz). The coherent process is intrinsically more efficient and can easily produce the observed intensity near 8 MHz if only 0.01% of the energy in the beam is converted to electrostatic energy.

Controlled electrostatic methodology for imaging indentations in documents.

PubMed

Yaraskavitch, Luke; Graydon, Matthew; Tanaka, Tobin; Ng, Lay-Keow

2008-05-20

The electrostatic process for imaging indentations on documents using the ESDA device is investigated under controlled experimental settings. An in-house modified commercial xerographic developer housing is used to control the uniformity and volume of toner deposition, allowing for reproducible image development. Along with this novel development tool, an electrostatic voltmeter and fixed environmental conditions facilitate an optimization process. Sample documents are preconditioned in a humidity cabinet with microprocessor control, and the significant benefit of humidification above 70% RH on image quality is verified. Improving on the subjective methods of previous studies, image quality analysis is carried out in an objective and reproducible manner using the PIAS-II. For the seven commercial paper types tested, the optimum ESDA operating point is found to be at an electric potential near -400V at the Mylar surface; however, for most paper types, the optimum operating regime is found to be quite broad, spanning relatively small electric potentials between -200 and -550V. At -400V, the film right above an indented area generally carries a voltage which is 30-50V less negative than the non-indented background. In contrast with Seward's findings [G.H. Seward, Model for electrostatic imaging of forensic evidence via discharge through Mylar-paper path, J. Appl. Phys. 83 (3) (1998) 1450-1456; G.H. Seward, Practical implications of the charge transport model for electrostatic detection apparatus (ESDA), J. Forensic Sci. 44 (4) (1999) 832-836], a period of charge decay before image development is not required when operating in this optimal regime. A brief investigation of the role played by paper-to-paper friction during the indentation process is conducted using our optimized development method.

The insulation of copper wire by the electrostatic coating process

NASA Astrophysics Data System (ADS)

Wells, M. G. H.

1983-06-01

A review of the fluidized bed electrostatic coating process and materials available for application to flat copper conductor has been made. Lengths of wire were rolled and electrostatically coated with two epoxy insulations. Electrical tests were made in air on coated samples at room and elevated temperatures. Compatibility tests in the cooling/lubricating turbine oil at temperatures up to 220 deg. C were also made. Recommendations for additional work are provided.

Electrostatic adhesion for added functionality of composite structures

NASA Astrophysics Data System (ADS)

Heath, Callum J. C.; Bond, Ian P.; Potter, Kevin D.

2016-02-01

Electrostatic adhesion can be used as a means of reversible attachment. The incorporation of electrostatic adhesion into fibre reinforced polymer (FRP) composite structures could provide significant value added functionality. Imparting large potential differences (˜2 kV) across electrodes generates an attractive force, thus providing a means of attachment. This could be used as a reversible latching mechanism or as a means of controllable internal connectivity. Varying the connectivity for discrete elements of a substructure of a given design allows for control of internal load paths and moment of area of the cross section. This could facilitate variable stiffness (both in bending and torsion). Using a combination of existing fabrication techniques, functional electrodes have been integrated within a FRP. Copper polyimide thin film laminate material has been both co-cured with carbon fibre reinforced epoxy and bonded to PVC closed cell foam core material to provide a range of structural configurations with integrated electrodes. The ability of such integrated devices to confer variations in global bending stiffness of basic beam structures is investigated. Through the application of 4 kV across integrated electrostatic adhesive devices, a 112% increase in flexural stiffness has been demonstrated for a composite sandwich structure.

Dipole-like electrostatic asymmetry of gold nanorods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Ji -Young; Han, Myung -Geun; Lien, Miao -Bin

The symmetry of metallic nanocolloids, typically envisaged as simple geometrical shapes, is rarely questioned. However, the symmetry considerations are so essential for understanding their electronic structure, optical properties, and biological effects that it is important to reexamine these foundational assumptions for nanocolloids. Gold nanorods (AuNRs) are generally presumed to have nearly perfect geometry of a cylinder and therefore are centrosymmetric. We show that AuNRs, in fact, have a built-in electrostatic potential gradient on their surface and behave as noncentrosymmetric particles. The electrostatic potential gradient of 0.11 to 0.07 V/nm along the long axes of nanorods is observed by off-axis electronmore » holography. Kelvin probe microscopy, secondary electron imaging, energy-filtered transmission electron microscopy, and plasmon mapping reveal that the axial asymmetry is associated with a consistently unequal number of cetyltrimethylammonium bromide moieties capping the two ends of the AuNRs. Electrostatic field maps simulated for the AuNR surface reproduce the holography images. The dipole-like surface potential gradient explains previously puzzling discrepancies in nonlinear optical effects originating from the noncentrosymmetric nature of AuNRs. Furthermore, similar considerations of symmetry breaking are applicable to other nanoscale structures for which the property-governing symmetry of the organic shell may differ from the apparent symmetry of inorganic core observed in standard electron microscopy images.« less

Dipole-like electrostatic asymmetry of gold nanorods

DOE PAGES

Kim, Ji -Young; Han, Myung -Geun; Lien, Miao -Bin; ...

2018-02-09

The symmetry of metallic nanocolloids, typically envisaged as simple geometrical shapes, is rarely questioned. However, the symmetry considerations are so essential for understanding their electronic structure, optical properties, and biological effects that it is important to reexamine these foundational assumptions for nanocolloids. Gold nanorods (AuNRs) are generally presumed to have nearly perfect geometry of a cylinder and therefore are centrosymmetric. We show that AuNRs, in fact, have a built-in electrostatic potential gradient on their surface and behave as noncentrosymmetric particles. The electrostatic potential gradient of 0.11 to 0.07 V/nm along the long axes of nanorods is observed by off-axis electronmore » holography. Kelvin probe microscopy, secondary electron imaging, energy-filtered transmission electron microscopy, and plasmon mapping reveal that the axial asymmetry is associated with a consistently unequal number of cetyltrimethylammonium bromide moieties capping the two ends of the AuNRs. Electrostatic field maps simulated for the AuNR surface reproduce the holography images. The dipole-like surface potential gradient explains previously puzzling discrepancies in nonlinear optical effects originating from the noncentrosymmetric nature of AuNRs. Furthermore, similar considerations of symmetry breaking are applicable to other nanoscale structures for which the property-governing symmetry of the organic shell may differ from the apparent symmetry of inorganic core observed in standard electron microscopy images.« less

Electrostatic contribution to the persistence length of a semiflexible dipolar chain.

PubMed

Podgornik, Rudi

2004-09-01

We investigate the electrostatic contribution to the persistence length of a semiflexible polymer chain whose segments interact via a screened Debye-Hückel dipolar interaction potential. We derive the expressions for the renormalized persistence length on the level of a 1/D-expansion method already successfully used in other contexts of polyelectrolye physics. We investigate different limiting forms of the renormalized persistence length of the dipolar chain and show that, in, general, it depends less strongly on the screening length than in the context of a monopolar chain. We show that for a dipolar chain the electrostatic persistence length in the same regime of the parameter phase space as the original Odijk-Skolnick-Fixman (OSF) form for a monopolar chain depends logarithmically on the screening length rather than quadratically. This can be understood solely on the basis of a swifter decay of the dipolar interactions with separation compared to the monopolar electrostatic interactions. We comment also on the general contribution of higher multipoles to the electrostatic renormalization of the bending rigidity.

The impact of electrostatic correlations on Dielectrophoresis of Non-conducting Particles

NASA Astrophysics Data System (ADS)

Alidoosti, Elaheh; Zhao, Hui

2017-11-01

The dipole moment of a charged, dielectric, spherical particle under the influence of a uniform alternating electric field is computed theoretically and numerically by solving the modified continuum Poisson-Nernst-Planck (PNP) equations accounting for ion-ion electrostatic correlations that is important at concentrated electrolytes (Phys. Rev. Lett. 106, 2011). The dependence on the frequency, zeta potential, electrostatic correlation lengths, and double layer thickness is thoroughly investigated. In the limit of thin double layers, we carry out asymptotic analysis to develop simple models which are in good agreement with the modified PNP model. Our results suggest that the electrostatic correlations have a complicated impact on the dipole moment. As the electrostatic correlations length increases, the dipole moment decreases, initially, reach a minimum, and then increases since the surface conduction first decreases and then increases due to the ion-ion correlations. The modified PNP model can improve the theoretical predictions particularly at low frequencies where the simple model can't qualitatively predict the dipole moment. This work was supported, in part, by NIH R15GM116039.

Electrostatic waves in the warm magnetoplasma at the cyclotron harmonic frequencies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gwal, A.K.; Misra, K.D.

1977-09-01

Mode conversion and collisionless absorption of electromagnetic wave at the cyclotron harmonic frequencies in an inhomogeneous non-Maxwellian magnetoplasma have been studied. Under suitable energy transfer condition the converted electrostatic wave (plasma wave) either grows or damps. The expressions for the growth/damping rates of this wave have been derived and studied at the cyclotron harmonic frequencies. The effect of the temperature anisotropy on the growth/damping rate of the electrostatic wave at the second cyclotron harmonic frequency has been shown. Growth of such electrostatic waves at ionospheric heights may explain the observed upper hybrid resonance (UHR) echoes and noise bands at themore » second cyclotron harmonic frequency.« less

Animation of Heliopause Electrostatic Rapid Transport System (HERTS)

NASA Image and Video Library

2016-04-20

Animation of Heliopause Electrostatic Rapid Transport System (HERTS) concept. NASA engineers are conducting tests to develop models for the Heliopause Electrostatic Rapid Transport System. HERTS builds upon the electric sail invention of Dr. Pekka Janhunen of the Finnish Meteorological Institute. An electric sail could potentially send scientific payloads to the edge of our solar system, the heliopause, in less than 10 years. The research is led by Bruce M. Wiegmann, an engineer in the Advanced Concepts Office at NASA's Marshall Space Flight Center. The HERTS E-Sail development and testing is funded by NASA’s Space Technology Mission Directorate through the NASA Innovative Advanced Concepts Program.

An Electrostatic Precipitator System for the Martian Environment

NASA Technical Reports Server (NTRS)

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

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

PubMed

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.

DelPhiForce web server: electrostatic forces and energy calculations and visualization.

PubMed

Li, Lin; Jia, Zhe; Peng, Yunhui; Chakravorty, Arghya; Sun, Lexuan; Alexov, Emil

2017-11-15

Electrostatic force is an essential component of the total force acting between atoms and macromolecules. Therefore, accurate calculations of electrostatic forces are crucial for revealing the mechanisms of many biological processes. We developed a DelPhiForce web server to calculate and visualize the electrostatic forces at molecular level. DelPhiForce web server enables modeling of electrostatic forces on individual atoms, residues, domains and molecules, and generates an output that can be visualized by VMD software. Here we demonstrate the usage of the server for various biological problems including protein-cofactor, domain-domain, protein-protein, protein-DNA and protein-RNA interactions. The DelPhiForce web server is available at: http://compbio.clemson.edu/delphi-force. delphi@clemson.edu. Supplementary data are available at Bioinformatics online. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Variable dual-frequency electrostatic wave launcher for plasma applications.

PubMed

Jorns, Benjamin; Sorenson, Robert; Choueiri, Edgar

2011-12-01

A variable tuning system is presented for launching two electrostatic waves concurrently in a magnetized plasma. The purpose of this system is to satisfy the wave launching requirements for plasma applications where maximal power must be coupled into two carefully tuned electrostatic waves while minimizing erosion to the launching antenna. Two parallel LC traps with fixed inductors and variable capacitors are used to provide an impedance match between a two-wave source and a loop antenna placed outside the plasma. Equivalent circuit analysis is then employed to derive an analytical expression for the normalized, average magnetic flux density produced by the antenna in this system as a function of capacitance and frequency. It is found with this metric that the wave launcher can couple to electrostatic modes at two variable frequencies concurrently while attenuating noise from the source signal at undesired frequencies. An example based on an experiment for plasma heating with two electrostatic waves is used to demonstrate a procedure for tailoring the wave launcher to accommodate the frequency range and flux densities of a specific two-wave application. This example is also used to illustrate a method based on averaging over wave frequencies for evaluating the overall efficacy of the system. The wave launcher is shown to be particularly effective for the illustrative example--generating magnetic flux densities in excess of 50% of the ideal case at two variable frequencies concurrently--with a high adaptability to a number of plasma dynamics and heating applications.

Epithelial Microvilli Establish an Electrostatic Barrier to Microbial Adhesion

PubMed Central

Bennett, Kaila M.; Walker, Sharon L.

2014-01-01

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. PMID:24778113

Efficiency determination of an electrostatic lunar dust collector by discrete element method

NASA Astrophysics Data System (ADS)

Afshar-Mohajer, Nima; Wu, Chang-Yu; Sorloaica-Hickman, Nicoleta

2012-07-01

Lunar grains become charged by the sun's radiation in the tenuous atmosphere of the moon. This leads to lunar dust levitation and particle deposition which often create serious problems in the costly system deployed in lunar exploration. In this study, an electrostatic lunar dust collector (ELDC) is proposed to address the issue and the discrete element method (DEM) is used to investigate the effects of electrical particle-particle interactions, non-uniformity of the electrostatic field, and characteristics of the ELDC. The simulations on 20-μm-sized lunar particles reveal the electrical particle-particle interactions of the dust particles within the ELDC plates require 29% higher electrostatic field strength than that without the interactions for 100% collection efficiency. For the given ELDC geometry, consideration of non-uniformity of the electrostatic field along with electrical interactions between particles on the same ELDC geometry leads to a higher requirement of ˜3.5 kV/m to ensure 100% particle collection. Notably, such an electrostatic field is about 103 times less than required for electrodynamic self-cleaning methods. Finally, it is shown for a "half-size" system that the DEM model predicts greater collection efficiency than the Eulerian-based model at all voltages less than required for 100% efficiency. Halving the ELDC dimensions boosts the particle concentration inside the ELDC, as well as the resulting field strength for a given voltage. Though a lunar photovoltaic system was the subject, the results of this study are useful for evaluation of any system for collecting charged particles in other high vacuum environment using an electrostatic field.

Electrostatic-Assisted Liquefaction of Porous Carbons

DOE PAGES

Li, Peipei; Schott, Jennifer A.; Zhang, Jinshui; ...

2017-10-10

Porous liquids are a newly developed porous material that combine unique fluidity with permanent porosity, which exhibit promising functionalities for a variety of applications. However, the apparent incompatibility between fluidity and permanent porosity makes the stabilization of porous nanoparticle with still empty pores in the dense liquid phase a significant challenging. For this study, by exploiting the electrostatic interaction between carbon networks and polymerized ionic liquids, we demonstrate that carbon-based porous nanoarchitectures can be well stabilized in liquids to afford permanent porosity, and thus opens up a new approach to prepare porous carbon liquids. Furthermore, we hope this facile synthesismore » strategy can be widely applicated to fabricate other types of porous liquids, such as those (e.g., carbon nitride, boron nitride, metal–organic frameworks, covalent organic frameworks etc.) also having the electrostatic interaction with polymerized ionic liquids, evidently advancing the development and understanding of porous liquids.« less

Calculations of the electrostatic potential adjacent to model phospholipid bilayers.

PubMed

Peitzsch, R M; Eisenberg, M; Sharp, K A; McLaughlin, S

1995-03-01

We used the nonlinear Poisson-Boltzmann equation to calculate electrostatic potentials in the aqueous phase adjacent to model phospholipid bilayers containing mixtures of zwitterionic lipids (phosphatidylcholine) and acidic lipids (phosphatidylserine or phosphatidylglycerol). The aqueous phase (relative permittivity, epsilon r = 80) contains 0.1 M monovalent salt. When the bilayers contain < 11% acidic lipid, the -25 mV equipotential surfaces are discrete domes centered over the negatively charged lipids and are approximately twice the value calculated using Debye-Hückel theory. When the bilayers contain > 25% acidic lipid, the -25 mV equipotential profiles are essentially flat and agree well with the values calculated using Gouy-Chapman theory. When the bilayers contain 100% acidic lipid, all of the equipotential surfaces are flat and agree with Gouy-Chapman predictions (including the -100 mV surface, which is located only 1 A from the outermost atoms). Even our model bilayers are not simple systems: the charge on each lipid is distributed over several atoms, these partial charges are non-coplanar, there is a 2 A ion-exclusion region (epsilon r = 80) adjacent to the polar headgroups, and the molecular surface is rough. We investigated the effect of these four factors using smooth (or bumpy) epsilon r = 2 slabs with embedded point charges: these factors had only minor effects on the potential in the aqueous phase.

Heterogeneous mass transfer in HRE in the presence of electrostatic field research

NASA Astrophysics Data System (ADS)

Reshetnikov, S. M.; Zyryanov, I. A.; Budin, A. G.; Pozolotin, A. P.

2017-01-01

The paper presents research results of polymethylmethacrylate (PMMA) combustion in a hybrid rocket engine (HRE) under the influence of an electrostatic field. It is shown that the main mechanism of electrostatic field influence on the combustion rate is process changes in the condensed phase.

Reliable aluminum contact formation by electrostatic bonding

NASA Astrophysics Data System (ADS)

Kárpáti, T.; Pap, A. E.; Radnóczi, Gy; Beke, B.; Bársony, I.; Fürjes, P.

2015-07-01

The paper presents a detailed study of a reliable method developed for aluminum fusion wafer bonding assisted by the electrostatic force evolving during the anodic bonding process. The IC-compatible procedure described allows the parallel formation of electrical and mechanical contacts, facilitating a reliable packaging of electromechanical systems with backside electrical contacts. This fusion bonding method supports the fabrication of complex microelectromechanical systems (MEMS) and micro-opto-electromechanical systems (MOEMS) structures with enhanced temperature stability, which is crucial in mechanical sensor applications such as pressure or force sensors. Due to the applied electrical potential of  -1000 V the Al metal layers are compressed by electrostatic force, and at the bonding temperature of 450 °C intermetallic diffusion causes aluminum ions to migrate between metal layers.

Teaching Electrostatics and Entropy in Introductory Physics

NASA Astrophysics Data System (ADS)

Reeves, Mark

Entropy changes underlie the physics that dominates biological interactions. Indeed, introductory biology courses often begin with an exploration of the qualities of water that are important to living systems. However, one idea that is not explicitly addressed in most introductory physics or biology courses is important contribution of the entropy in driving fundamental biological processes towards equilibrium. I will present material developed to teach electrostatic screening in solutions and the function of nerve cells where entropic effects act to counterbalance electrostatic attraction. These ideas are taught in an introductory, calculus-based physics course to biomedical engineers using SCALEUP pedagogy. Results of student mastering of complex problems that cross disciplinary boundaries between biology and physics, as well as the challenges that they face in learning this material will be presented.

Electrostatic attraction of coupled Wigner crystals: finite temperature effects.

PubMed

Lau, A W; Pincus, P; Levine, D; Fertig, H A

2001-05-01

In this paper we present a unified physical picture for the electrostatic attraction between two coupled planar Wigner crystals at finite temperature. This model may facilitate our conceptual understanding of counterion-mediated attractions between (highly) similarly charged planes. By adopting an elastic theory, we show that the total attractive force between them can be (approximately) decomposed into a short-ranged and a long-ranged component. They are evaluated below the melting temperature of the Wigner crystals. In particular, we analyze the temperature dependence of the short-ranged attraction, arising from ground-state configuration, and we argue that thermal fluctuations may drastically reduce its strength. Also, the long-range force agrees exactly with that based on the charge-fluctuation approach. Furthermore, we take quantum contributions to the long-ranged (fluctuation-induced) attraction into account and show how the fractional power law, which scales as d(-7/2) for large interplanar distance d at zero temperature, crosses over to the classical regime d(-3) via an intermediate regime of d(-2).

Electrostatic and electromagnetic gyroharmonic emissions due to energetic electrons in magnetospheric plasma

NASA Technical Reports Server (NTRS)

Curtis, S. A.; Wu, C. S.

1979-01-01

The paper derives the growth rates and growth lengths of the electrostatic emission for spatially homogeneous and inhomogeneous energetic electrons, and numerically evaluates the growth rate and growth length spectra for several parameter sets representative of magnetospheric plasmas. In addition, the growth rates are derived for the case of electromagnetic emission modeled by the ordinary mode. The numerical results of the electromagnetic and electrostatic cases are compared with observations made by satellites in the earth's magnetosphere. It is concluded that the electrostatic gyroharmonic excitation is possible without the cold composition of plasma which is often postulated in the existing literature.

Research on stretched membrane with electrostatic curvature (SMEC) mirrors

NASA Astrophysics Data System (ADS)

Sun, X. W.; Jin, G.

Stretched Membrane with Electrostatic Curvature SMEC Mirrors is a new spatial optical technology recently developed in foreign countries which performed modification of figuration of SMEC Mirror in control of Electrostatic With the folding property of membrane when it was loaded this technology have taken on important prospect in system of spatial remote sensing in the future In this paper the fundamental of SMEC Mirror was introduced the more deeply analyzing of cybernetic model completed and at present research method based on synthesis of foreign development in the field was put forward

Investigation of electrostatic behavior of a lactose carrier for dry powder inhalers.

PubMed

Chow, Keat Theng; Zhu, Kewu; Tan, Reginald B H; Heng, Paul W S

2008-12-01

This study aims to elucidate the electrostatic behavior of a model lactose carrier used in dry powder inhaler formulations by examining the effects of ambient relative humidity (RH), aerosolization air flow rate, repeated inhaler use, gelatin capsule and tapping on the specific charge (nC/g) of bulk and aerosolized lactose. Static and dynamic electrostatic charge measurements were performed using a Faraday cage connected to an electrometer. Experiments were conducted inside a walk-in environmental chamber at 25 degrees C and RHs of 20% to 80%. Aerosolization was achieved using air flow rates of 30, 45, 60 and 75 L/min. The initial charges of the bulk and capsulated lactose were a magnitude lower than the charges of tapped or aerosolized lactose. Dynamic charge increased linearly with aerosolization air flow rate and RH. Greater frictional forces at higher air flow rate induced higher electrostatic charges. Increased RH enhanced charge generation. Repeated inhaler use significantly influenced electrostatic charge due to repeated usage. This study demonstrated the significance of interacting influences by variables commonly encountered in the use DPI such as variation in patient's inspiratory flow rate, ambient RH and repeated inhaler use on the electrostatic behavior of a lactose DPI carrier.

Microencapsulation and Electrostatic Processing Device

NASA Technical Reports Server (NTRS)

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.

Electrostatic charging of lunar dust

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walch, Bob; Horanyi, Mihaly; Robertson, Scott

1998-10-21

Transient dust clouds suspended above the lunar surface were indicated by the horizon glow observed by the Surveyor spacecrafts and the Lunar Ejecta and Meteorite Experiment (Apollo 17), for example. The theoretical models cannot fully explain these observations, but they all suggest that electrostatic charging of the lunar surface due to exposure to the solar wind plasma and UV radiation could result in levitation, transport and ejection of small grains. We report on our experimental studies of the electrostatic charging properties of an Apollo-17 soil sample and two lunar simulants MLS-1 and JSC-1. We have measured their charge after exposingmore » individual grains to a beam of fast electrons with energies in the range of 20{<=}E{<=}90 eV. Our measurements indicate that the secondary electron emission yield of the Apollo-17 sample is intermediate between MLS-1 and JSC-1, closer to that of MLS-1. We will also discuss our plans to develop a laboratory lunar surface model, where time dependent illumination and plasma bombardment will closely emulate the conditions on the surface of the Moon.« less

Effects of dielectric inhomogeneity on electrostatic twist rigidity of a helical biomolecule in Debye-Hückel regime

NASA Astrophysics Data System (ADS)

Rezaie-Dereshgi, Amir; Mohammad-Rafiee, Farshid

2018-04-01

The electrostatic interactions play a crucial role in biological systems. Here we consider an impermeable dielectric molecule in the solvent with a different dielectric constant. The electrostatic free energy in the problem is studied in the Debye-Hückel regime using the analytical Green function that is calculated in the paper. Using this electrostatic free energy, we study the electrostatic contribution to the twist rigidity of a double stranded helical molecule such as a DNA and an actin filament. The dependence of the electrostatic twist rigidity of the molecule to the dielectric inhomogeneity, structural parameters, and the salt concentration is studied. It is shown that, depending on the parameters, the electrostatic twist rigidity could be positive or negative.

On the Chaotic Vibrations of Electrostatically Actuated Arch Micro/Nano Resonators: A Parametric Study

NASA Astrophysics Data System (ADS)

Tajaddodianfar, Farid; Hairi Yazdi, Mohammad Reza; Pishkenari, Hossein Nejat

Motivated by specific applications, electrostatically actuated bistable arch shaped micro-nano resonators have attracted growing attention in the research community in recent years. Nevertheless, some issues relating to their nonlinear dynamics, including the possibility of chaos, are still not well known. In this paper, we investigate the chaotic vibrations of a bistable resonator comprised of a double clamped initially curved microbeam under combined harmonic AC and static DC distributed electrostatic actuation. A reduced order equation obtained by the application of the Galerkin method to the nonlinear partial differential equation of motion, given in the framework of Euler-Bernoulli beam theory, is used for the investigation in this paper. We numerically integrate the obtained equation to study the chaotic vibrations of the proposed system. Moreover, we investigate the effects of various parameters including the arch curvature, the actuation parameters and the quality factor of the resonator, which are effective in the formation of both static and dynamic behaviors of the system. Using appropriate numerical tools, including Poincaré maps, bifurcation diagrams, Fourier spectrum and Lyapunov exponents we scrutinize the effects of various parameters on the formation of chaotic regions in the parametric space of the resonator. Results of this work provide better insight into the problem of nonlinear dynamics of the investigated family of bistable micro/nano resonators, and facilitate the design of arch resonators for applications such as filters.

Effects of non-Gaussian Brownian motion on direct force optical tweezers measurements of the electrostatic forces between pairs of colloidal particles.

PubMed

Raudsepp, Allan; A K Williams, Martin; B Hall, Simon

2016-07-01

Measurements of the electrostatic force with separation between a fixed and an optically trapped colloidal particle are examined with experiment, simulation and analytical calculation. Non-Gaussian Brownian motion is observed in the position of the optically trapped particle when particles are close and traps weak. As a consequence of this motion, a simple least squares parameterization of direct force measurements, in which force is inferred from the displacement of an optically trapped particle as separation is gradually decreased, contains forces generated by the rectification of thermal fluctuations in addition to those originating directly from the electrostatic interaction between the particles. Thus, when particles are close and traps weak, simply fitting the measured direct force measurement to DLVO theory extracts parameters with modified meanings when compared to the original formulation. In such cases, however, physically meaningful DLVO parameters can be recovered by comparing the measured non-Gaussian statistics to those predicted by solutions to Smoluchowski's equation for diffusion in a potential.

Role of electrostatic interactions in the assembly of empty spherical viral capsids

NASA Astrophysics Data System (ADS)

Šiber, Antonio; Podgornik, Rudolf

2007-12-01

We examine the role of electrostatic interactions in the assembly of empty spherical viral capsids. The charges on the protein subunits that make the viral capsid mutually interact and are expected to yield electrostatic repulsion acting against the assembly of capsids. Thus, attractive protein-protein interactions of nonelectrostatic origin must act to enable the capsid formation. We investigate whether the interplay of repulsive electrostatic and attractive interactions between the protein subunits can result in the formation of spherical viral capsids of a preferred radius. For this to be the case, we find that the attractive interactions must depend on the angle between the neighboring protein subunits (i.e., on the mean curvature of the viral capsid) so that a particular angle(s) is (are) preferred energywise. Our results for the electrostatic contributions to energetics of viral capsids nicely correlate with recent experimental determinations of the energetics of protein-protein contacts in the hepatitis B virus [P. Ceres A. Zlotnick, Biochemistry 41, 11525 (2002)].

New results on the generation of broadband electrostatic waves in the magnetotail

NASA Technical Reports Server (NTRS)

Grabbe, C. L.

1985-01-01

The theory of the generation of broadband electrostatic noise (BEN) in the magnetotail is extended through numerical solution of the dispersion relation under conditions that exist in the plasma sheet boundary layer. It is found that the low-frequency portion of the spectrum has a broad angular spectrum but a fairly sharp peak near 75 deg with respect to the magnetic field, while the high-frequency portion has a narrower angular spectrum that is strongly concentrated along the magnetic field line. These results are in excellent agreement with observations of the broadband wave spectrum and a recent measurement of the propagation direction. The effect of a second cold component of electrons is analyzed, and it is found that it can increase the upper cutoff frequency of BEN to the observed value at about the plasma frequency.

Electrostatic forces for personnel restraints

NASA Technical Reports Server (NTRS)

Ashby, N.; Ciciora, J.; Gardner, R.; Porter, K.

1977-01-01

The feasibility of utilizing electrostatic forces for personnel retention devices on exterior spacecraft surfaces was analyzed. The investigation covered: (1) determination of the state of the art; (2) analysis of potential adhesion surfaces; (3) safety considerations for personnel; (4) electromagnetic force field determination and its effect on spacecraft instrumentation; and (5) proposed advances to current technology based on documentation review, analyses, and experimental test data.

Contamination enhanced electrostatic discharge mechanisms

NASA Technical Reports Server (NTRS)

Jeffrey, J. A.; Maag, C. R.

1979-01-01

The two problems of enhanced electrostatic discharge (ESD) and contamination are discussed. It is shown that there is a synergistic relationship between them such that one enhances the probability of occurance of the other. The action of both provides substantially more deleterious affects than the effects of both separately. Mechanisms for such a relationship are discussed as well as application to large advanced technology systems.

Electrostatic actuators for portable microfluidic systems

NASA Astrophysics Data System (ADS)

Tice, Joshua

Both developed and developing nations have an urgent need to diagnose disease cheaply, reliably, and independently of centralized facilities. Microfulidic platforms are well-positioned to address the need for portable diagnostics, mainly due to their obvious advantage in size. However, most microfluidic methods rely on equipment outside of the chip either for driving fluid flow (e.g., syringe pumps) or for taking measurements (e.g., lasers or microscopes). The energy and space requirements of the whole system inhibit portability and contribute to costs. To capitalize on the strengths of microfluidic platforms and address the serious needs of society, system components need to be miniaturized. Also, miniaturization should be accomplished as simply as possible, considering that simplicity is usually requisite for achieving truly transformative technology. Herein, I attempt to address the issue of controlling fluid flow in portable microfluidic systems. I focus on systems that are driven by elastomer-based membrane valves, since these valves are inherently simple, yet they are capable of sophisticated fluid manipulation. Others have attempted to modify pneumatic microvalves for portable applications, e.g., by transitioning to electromagnetic, thermopneumatic, or piezoelectric actuation principles. However, none of these strategies maintain the proper balance of simplicity, functionality, and ease of integration. My research centers on electrostatic actuators, due to their conceptual simplicity and the efficacy of electrostatic forces on the microscale. To ensure easy integration with polymer-based systems, and to maintain simplicity in the fabrication procedure, the actuators were constructed solely from poly(dimethylsiloxane) and multi-walled carbon nanotubes. In addition, the actuators were fabricated exclusively with soft-lithographic techniques. A mathematical model was developed to identify actuator parameters compatible with soft-lithography, and also to

Control of aqueous droplets using magnetic and electrostatic forces.

PubMed

Ohashi, Tetsuo; Kuyama, Hiroki; Suzuki, Koichi; Nakamura, Shin

2008-04-07

Basic control operations were successfully performed on an aqueous droplet using both magnetic and electrostatic forces. In our droplet-based microfluidics, magnetic beads were incorporated in an aqueous droplet as a force mediator. This report describes droplet anchoring and separation of the beads from the droplet using a combination of magnetic and electrostatic forces. When an aqueous droplet is placed in an oil-filled reservoir, the droplet sinks to the bottom, under which an electrode had been placed. The droplet was adsorbed (or anchored) to the bottom surface on the electrode when a DC voltage was applied to the electrode. The magnetic beads were removed with magnetic force after the droplet had been anchored. Surfactant addition into droplet solution was very effective for the elimination of electric charge, which resulted in the stable adsorption of a droplet to hydrophobic substrate under an applied voltage of DC 0.5-3 kV. In a sequential process, small volume of aqueous liquid was successfully transferred using both magnetic and electrostatic forces.

Membrane Protein Properties Revealed through Data-Rich Electrostatics Calculations.

PubMed

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.

A numerical study on liquid charging inside electrostatic atomizers

NASA Astrophysics Data System (ADS)

Kashir, Babak; Perri, Anthony; Sankaran, Abhilash; Staszel, Christopher; Yarin, Alexander; Mashayek, Farzad

2016-11-01

The charging of the dielectric liquid inside an electrostatic atomizer is studied numerically by developing codes based on the OpenFOAM platform. Electrostatic atomization is an appealing technology in painting, fuel injection and oil coating systems due to improved particle-size distribution, enhanced controlability of droplets' trajectories and lower power consumption. The numerical study is conducted concurrently to an experimental investigation to facilitate the validation and deliver feedback for further development. The atomizer includes a pin electrode that is placed at the center of a converging chamber. The chamber orifice is located at a known distance from the electrode tip. The pin electrode is connected to a high voltage that leads to the charging of the liquid. In the present work, the theoretical foundations of separated treatment of the polarized layer and the electronuetral bulk flow are set by describing the governing equations, relevant boundary conditions and the matching condition between these two domains. The resulting split domains are solved numerically to find the distribution of velocity and electrostatic fields over the specified regions. National Science Foundation Award Number: 1505276.

The Electrocardiogram as an Example of Electrostatics

ERIC Educational Resources Information Center

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)

Inertial-Electrostatic Confinement (IEC) Fusion for Space Propulsion

NASA Technical Reports Server (NTRS)

Nadler, Jon

1999-01-01

An Inertial-Electrostatic Confinement (IEC) device was assembled at the Marshall Space Flight Center (MSFC) Propulsion Research Center (PRC) to study the possibility of using EEC technology for deep space propulsion and power. Inertial-Electrostatic Confinement is capable of containing a nuclear fusion plasma in a series of virtual potential wells. These wells would substantially increase plasma confinement, possibly leading towards a high-gain, breakthrough fusion device. A one-foot in diameter IEC vessel was borrowed from the Fusion Studies Laboratory at the University of Illinois@Urbana-Champaign for the summer. This device was used in initial parameterization studies in order to design a larger, actively cooled device for permanent use at the PRC.

Inertial-Electrostatic Confinement (IEC) Fusion For Space Propulsion

NASA Technical Reports Server (NTRS)

Nadler, Jon

1999-01-01

An Inertial-Electrostatic Confinement (IEC) device was assembled at the Marshall Space Flight Center (MSFC) Propulsion Research Center (PRC) to study the possibility of using IEC technology for deep space propulsion and power. Inertial-Electrostatic Confinement is capable of containing a nuclear fusion plasma in a series of virtual potential wells. These wells would substantially increase plasma confinement, possibly leading towards a high-gain, breakthrough fusion device. A one-foot in diameter IEC vessel was borrowed from the Fusion Studies Laboratory at the University of Illinois @ Urbana-Champaign for the summer. This device was used in initial parameterization studies in order to design a larger, actively cooled device for permanent use at the PRC.

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

PubMed

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.

Electrostatically Driven Nanoballoon Actuator.

PubMed

Barzegar, Hamid Reza; Yan, Aiming; Coh, Sinisa; Gracia-Espino, Eduardo; Dunn, Gabriel; Wågberg, Thomas; Louie, Steven G; Cohen, Marvin L; Zettl, Alex

2016-11-09

We demonstrate an inflatable nanoballoon actuator based on geometrical transitions between the inflated (cylindrical) and collapsed (flattened) forms of a carbon nanotube. In situ transmission electron microscopy experiments employing a nanoelectromechanical manipulator show that a collapsed carbon nanotube can be reinflated by electrically charging the nanotube, thus realizing an electrostatically driven nanoballoon actuator. We find that the tube actuator can be reliably cycled with only modest control voltages (few volts) with no apparent wear or fatigue. A complementary theoretical analysis identifies critical parameters for nanotube nanoballoon actuation.

Electrostatic spraying in the chemical control of Triozoida limbata (Enderlein) (Hemiptera: Triozidae) in guava trees (Psidium guajava L.).

PubMed

Tavares, Rafael M; Cunha, João Par; Alves, Thales C; Bueno, Mariana R; Silva, Sérgio M; Zandonadi, César Hs

2017-06-01

Owing to the difficulty in reaching targets during pesticide applications on guava trees, it is important to evaluate new technologies that may improve pest management. In electrostatic spraying, an electric force is added to the droplets to control their movements such that they are efficiently directed to the target. The present study evaluated the performance of electrostatic and non-electrostatic spraying in the control of the guava psyllid, the deposition of the spray mixture on the leaves and the losses to the soil. The deposition of the spray mixture was up to 2 times greater when using electrostatic spraying in comparison with non-electrostatic application. The losses of the spray mixture to the soil were up to 4 times smaller with the electrostatic spraying. Electrostatic spraying had better control of the psyllid. It was possible to reduce the volume rate of application with electrostatic spraying without adversely affecting the control of the guava psyllid. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Coupled electrostatic and material surface stresses yield anomalous particle interactions and deformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kemp, B. A., E-mail: bkemp@astate.edu; Nikolayev, I.; Sheppard, C. J.

2016-04-14

Like-charges repel, and opposite charges attract. This fundamental tenet is a result of Coulomb's law. However, the electrostatic interactions between dielectric particles remain topical due to observations of like-charged particle attraction and the self-assembly of colloidal systems. Here, we show, using both an approximate description and an exact solution of Maxwell's equations, that nonlinear charged particle forces result even for linear material systems and can be responsible for anomalous electrostatic interactions such as like-charged particle attraction and oppositely charged particle repulsion. Furthermore, these electrostatic interactions and the deformation of such particles have fundamental implications for our understanding of macroscopic electrodynamics.

Evaluation of a combined electrostatic and magnetostatic configuration for active space-radiation shielding

NASA Astrophysics Data System (ADS)

Joshi, Ravindra P.; Qiu, Hao; Tripathi, Ram K.

2013-05-01

Developing successful and optimal solutions to mitigating the hazards of severe space radiation in deep space long duration missions is critical for the success of deep-space explorations. A recent report (Tripathi et al., 2008) had explored the feasibility of using electrostatic shielding. Here, we continue to extend the electrostatic shielding strategy and examine a hybrid configuration that utilizes both electrostatic and magnetostatic fields. The main advantages of this system are shown to be: (i) a much better shielding and repulsion of incident ions from both solar particle events (SPE) and galactic cosmic rays (GCR), (ii) reductions in the power requirement for re-charging the electrostatic sub-system, and (iii) low requirements of the magnetic fields that are well below the thresholds set for health and safety for long-term exposures. Furthermore, our results show transmission levels reduced to levels as low as 30% for energies around 1000 MeV, and near total elimination of SPE radiation by these hybrid configurations. It is also shown that the power needed to replenish the electrostatic charges due to particle hits from the GCR and SPE radiation is minimal.

Effect of the ordered interfacial water layer in protein complex formation: a non-local electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, Alexander; Sabirianov, Renat

2011-03-01

Using a non-local electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an low-dielectric interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

2D Electrostatic Actuation of Microshutter Arrays

NASA Technical Reports Server (NTRS)

Burns, Devin E.; Oh, Lance H.; Li, Mary J.; Kelly, Daniel P.; Kutyrev, Alexander S.; Moseley, Samuel H.

2015-01-01

Electrostatically actuated microshutter arrays consisting of rotational microshutters (shutters that rotate about a torsion bar) were designed and fabricated through the use of models and experiments. Design iterations focused on minimizing the torsional stiffness of the microshutters, while maintaining their structural integrity. Mechanical and electromechanical test systems were constructed to measure the static and dynamic behavior of the microshutters. The torsional stiffness was reduced by a factor of four over initial designs without sacrificing durability. Analysis of the resonant behavior of the microshutters demonstrates that the first resonant mode is a torsional mode occurring around 3000 Hz. At low vacuum pressures, this resonant mode can be used to significantly reduce the drive voltage necessary for actuation requiring as little as 25V. 2D electrostatic latching and addressing was demonstrated using both a resonant and pulsed addressing scheme.

2D Electrostatic Actuation of Microshutter Arrays

NASA Technical Reports Server (NTRS)

Burns, Devin E.; Oh, Lance H.; Li, Mary J.; Jones, Justin S.; Kelly, Daniel P.; Zheng, Yun; Kutyrev, Alexander S.; Moseley, Samuel H.

2015-01-01

An electrostatically actuated microshutter array consisting of rotational microshutters (shutters that rotate about a torsion bar) were designed and fabricated through the use of models and experiments. Design iterations focused on minimizing the torsional stiffness of the microshutters, while maintaining their structural integrity. Mechanical and electromechanical test systems were constructed to measure the static and dynamic behavior of the microshutters. The torsional stiffness was reduced by a factor of four over initial designs without sacrificing durability. Analysis of the resonant behavior of the microshutter arrays demonstrates that the first resonant mode is a torsional mode occurring around 3000 Hz. At low vacuum pressures, this resonant mode can be used to significantly reduce the drive voltage necessary for actuation requiring as little as 25V. 2D electrostatic latching and addressing was demonstrated using both a resonant and pulsed addressing scheme.

An electrostatic autoresonant ion trap mass spectrometer.

PubMed

Ermakov, A V; Hinch, B J

2010-01-01

A new method for ion extraction from an anharmonic electrostatic trap is introduced. Anharmonicity is a common feature of electrostatic traps which can be used for small scale spatial confinement of ions, and this feature is also necessary for autoresonant ion extraction. With the aid of ion trajectory simulations, novel autoresonant trap mass spectrometers (ART-MSs) have been designed based on these very simple principles. A mass resolution approximately 60 is demonstrated for the prototypes discussed here. We report also on the pressure dependencies, and the (mV) rf field strength dependencies of the ART-MS sensitivity. Importantly the new MS designs do not require heavy magnets, tight manufacturing tolerances, introduction of buffer gases, high power rf sources, nor complicated electronics. The designs described here are very inexpensive to implement relative to other instruments, and can be easily miniaturized. Possible applications are discussed.

Test progress on the electrostatic membrane reflector

NASA Technical Reports Server (NTRS)

Mihora, D. J.

1981-01-01

An extemely lightweight type of precision reflector antenna, being developed for potential deployment from the space shuttle, uses electrostatic forces to tension a thin membrane and form it into a concave reflector surface. The typical shuttle-deployed antenna would have a diameter of 100 meters and an RMS surface smoothness of 10 to 1 mm for operation at 1 to 10 GHz. NASA Langley Research Center built and is currently testing a subscale (16 foot diameter) model of the membrane reflector portion of such an antenna. Preliminary test results and principal factors affecting surface quality are addressed. Factors included are the effect of the perimeter boundary, splicing of the membrane, the long-scale smoothness of commercial membranes, and the spatial controllability of the membrane using voltage adjustments to alter the electrostatic pressure. Only readily available commercial membranes are considered.

APBSmem: A Graphical Interface for Electrostatic Calculations at the Membrane

PubMed Central

Callenberg, Keith M.; Choudhary, Om P.; de Forest, Gabriel L.; Gohara, David W.; Baker, Nathan A.; Grabe, Michael

2010-01-01

Electrostatic forces are one of the primary determinants of molecular interactions. They help guide the folding of proteins, increase the binding of one protein to another and facilitate protein-DNA and protein-ligand binding. A popular method for computing the electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation, and there are several easy-to-use software packages available that solve the PB equation for soluble proteins. Here we present a freely available program, called APBSmem, for carrying out these calculations in the presence of a membrane. The Adaptive Poisson-Boltzmann Solver (APBS) is used as a back-end for solving the PB equation, and a Java-based graphical user interface (GUI) coordinates a set of routines that introduce the influence of the membrane, determine its placement relative to the protein, and set the membrane potential. The software Jmol is embedded in the GUI to visualize the protein inserted in the membrane before the calculation and the electrostatic potential after completing the computation. We expect that the ease with which the GUI allows one to carry out these calculations will make this software a useful resource for experimenters and computational researchers alike. Three examples of membrane protein electrostatic calculations are carried out to illustrate how to use APBSmem and to highlight the different quantities of interest that can be calculated. PMID:20949122

APBSmem: a graphical interface for electrostatic calculations at the membrane.

PubMed

Callenberg, Keith M; Choudhary, Om P; de Forest, Gabriel L; Gohara, David W; Baker, Nathan A; Grabe, Michael

2010-09-29

Electrostatic forces are one of the primary determinants of molecular interactions. They help guide the folding of proteins, increase the binding of one protein to another and facilitate protein-DNA and protein-ligand binding. A popular method for computing the electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation, and there are several easy-to-use software packages available that solve the PB equation for soluble proteins. Here we present a freely available program, called APBSmem, for carrying out these calculations in the presence of a membrane. The Adaptive Poisson-Boltzmann Solver (APBS) is used as a back-end for solving the PB equation, and a Java-based graphical user interface (GUI) coordinates a set of routines that introduce the influence of the membrane, determine its placement relative to the protein, and set the membrane potential. The software Jmol is embedded in the GUI to visualize the protein inserted in the membrane before the calculation and the electrostatic potential after completing the computation. We expect that the ease with which the GUI allows one to carry out these calculations will make this software a useful resource for experimenters and computational researchers alike. Three examples of membrane protein electrostatic calculations are carried out to illustrate how to use APBSmem and to highlight the different quantities of interest that can be calculated.

Computing pKa Values in Different Solvents by Electrostatic Transformation.

PubMed

Rossini, Emanuele; Netz, Roland R; Knapp, Ernst-Walter

2016-07-12

We introduce a method that requires only moderate computational effort to compute pKa values of small molecules in different solvents with an average accuracy of better than 0.7 pH units. With a known pKa value in one solvent, the electrostatic transform method computes the pKa value in any other solvent if the proton solvation energy is known in both considered solvents. To apply the electrostatic transform method to a molecule, the electrostatic solvation energies of the protonated and deprotonated molecular species are computed in the two considered solvents using a dielectric continuum to describe the solvent. This is demonstrated for 30 molecules belonging to 10 different molecular families by considering 77 measured pKa values in 4 different solvents: water, acetonitrile, dimethyl sulfoxide, and methanol. The electrostatic transform method can be applied to any other solvent if the proton solvation energy is known. It is exclusively based on physicochemical principles, not using any empirical fetch factors or explicit solvent molecules, to obtain agreement with measured pKa values and is therefore ready to be generalized to other solute molecules and solvents. From the computed pKa values, we obtained relative proton solvation energies, which agree very well with the proton solvation energies computed recently by ab initio methods, and used these energies in the present study.

Interdomain electron transfer in cellobiose dehydrogenase is governed by surface electrostatics.

PubMed

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.

Electrostatic drift instability in a magnetotail configuration: The role of bouncing electrons

NASA Astrophysics Data System (ADS)

Fruit, G.; Louarn, P.; Tur, A.

2017-03-01

To understand the possible destabilization of two-dimensional current sheets, a kinetic model is proposed to describe the resonant interaction between electrostatic modes and trapped electrons that bounce within the sheet. This work follows the initial investigation by Tur, Louarn, and Yanovsky [Phys. Plasmas 17, 102905 (2010)] and Fruit, Louarn, and Tur [Phys. Plasmas 20, 022113 (2013)] that is revised and extended. Using a quasi-dipolar equilibrium state, the linearized gyro-kinetic Vlasov equation is solved for electrostatic fluctuations with a period of the order of the electron bounce period. Using an appropriated Fourier expansion of the particle motion along the magnetic field, the complete time integration of the non-local perturbed distribution functions is performed. The dispersion relation for electrostatic modes is then obtained through the quasineutrality condition. It is found that for a mildly stretched configuration ( L ˜8 ), strongly unstable electrostatic modes may develop in the current sheet with the growth rate of the order of a few seconds provided that the background density gradient responsible for the diamagnetic drift effects is sharp enough: typical length scale over one Earth radius or less. However, when this condition in the density gradient is not met, these electrostatic modes grow too slowly to be accountable for a rapid destabilization of the magnetic structure. This strong but finely tuned instability may offer opportunities to explain features in magnetospheric substorms.

Electro-osmosis over inhomogeneously charged surfaces in presence of non-electrostatic ion-ion interactions

NASA Astrophysics Data System (ADS)

Ghosh, Uddipta; Chakraborty, Suman

2016-06-01

In this study, we attempt to bring out a generalized formulation for electro-osmotic flows over inhomogeneously charged surfaces in presence of non-electrostatic ion-ion interactions. To this end, we start with modified electro-chemical potential of the individual species and subsequently use it to derive modified Nernst-Planck equation accounting for the ionic fluxes generated because of the presence of non-electrostatic potential. We establish what we refer to as the Poisson-Helmholtz-Nernst-Planck equations, coupled with the Navier-Stokes equations, to describe the complete transport process. Our analysis shows that the presence of non-electrostatic interactions between the ions results in an excess body force on the fluid, and modifies the osmotic pressure as well, which has hitherto remained unexplored. We further apply our analysis to a simple geometry, in an effort to work out the Smoluchowski slip velocity for thin electrical double layer limits. To this end, we employ singular perturbation and develop a general framework for the asymptotic analysis. Our calculations reveal that the final expression for slip velocity remains the same as that without accounting for non-electrostatic interactions. However, the presence of non-electrostatic interactions along with ion specificity can significantly change the quantitative behavior of Smoluchowski slip velocity. We subsequently demonstrate that the presence of non-electrostatic interactions may significantly alter the effective interfacial potential, also termed as the "Zeta potential." Our analysis can potentially act as a guide towards the prediction and possibly quantitative determination of the implications associated with the existence of non-electrostatic potential, in an electrokinetic transport process.

Electrostatic quadrupole array for focusing parallel beams of charged particles

DOEpatents

Brodowski, John

1982-11-23

An array of electrostatic quadrupoles, capable of providing strong electrostatic focusing simultaneously on multiple beams, is easily fabricated from a single array element comprising a support rod and multiple electrodes spaced at intervals along the rod. The rods are secured to four terminals which are isolated by only four insulators. This structure requires bias voltage to be supplied to only two terminals and eliminates the need for individual electrode bias and insulators, as well as increases life by eliminating beam plating of insulators.

Protein-membrane electrostatic interactions: Application of the Lekner summation technique

NASA Astrophysics Data System (ADS)

Juffer, André H.; Shepherd, Craig M.; Vogel, Hans J.

2001-01-01

A model has been developed to calculate the electrostatic interaction between biomolecules and lipid bilayers. The effect of ionic strength is included by means of explicit ions, while water is described as a background continuum. The bilayer is considered at the atomic level. The Lekner summation technique is employed to calculate the long-range electrostatic interactions. The new method is employed to estimate the electrostatic contribution to the free energy of binding of sandostatin, a cyclic eight-residue analogue of the peptide hormone somatostatin, to lipid bilayers with thermodynamic integration. Monte Carlo simulation techniques were employed to determine ion distributions and peptide orientations. Both neutral as well as negatively charged lipid bilayers were used. An error analysis to judge the quality of the computation is also presented. The applicability of the Lekner summation technique to combine it with computer simulation models that simulate the adsorption of peptides (and proteins) into the interfacial region of lipid bilayers is discussed.

The source of Saturn electrostatic discharges: Atmospheric storms

NASA Technical Reports Server (NTRS)

Kaiser, M. L.; Connerney, J. E. P.; Desch, M. D.

1983-01-01

Important properties of the recently discovered Saturn electrostatic discharges are entirely consistent with an extended lightning storm system in Saturn's atmosphere. The presently favored B-ring location is ruled out.

Miniature Free-Space Electrostatic Ion Thrusters

NASA Technical Reports Server (NTRS)

Hartley, Frank T.; Stephens, James B.

2006-01-01

A miniature electrostatic ion thruster is proposed for maneuvering small spacecraft. In a thruster based on this concept, one or more propellant gases would be introduced into an ionizer based on the same principles as those of the device described in an earlier article, "Miniature Bipolar Electrostatic Ion Thruster". On the front side, positive ions leaving an ionizer element would be accelerated to high momentum by an electric field between the ionizer and an accelerator grid around the periphery of the concave laminate structure. On the front side, electrons leaving an ionizer element 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 a thruster design consisting of multiple membrane ionizers in a thin laminate structure with a peripheral accelerator grid, the direction of thrust could then be controlled (without need for moving parts in the thruster) by regulating the supply of gas to specific ionizer.

Electrostatic testing of thin plastic materials

NASA Technical Reports Server (NTRS)

Skinner, S. Ballou

1988-01-01

Ten thin plastic materials (Velostat, RCAS 1200, Llumalloy, Herculite 80, RCAS 2400, Wrightlon 7000, PVC, Aclar 22A, Mylar, and Polyethylene) were tested for electrostatic properties by four different devices: (1) The static decay meter, (2) the manual triboelectric testing device, (3) the robotic triboelectric testing device, and (4) the resistivity measurement adapter device. The static decay meter measured the electrostatic decay rates in accordance with the Federal Test Method Standard 101B, Method 4046. The manual and the robotic triboelectric devices measured the triboelectric generated peak voltages and the five-second decay voltages in accordance with the criteria for acceptance standards at Kennedy Space Center. The resistivity measurement adapter measured the surface resistivity of each material. An analysis was made to correlate the data among the four testing devices. For the material tested the pass/fail results were compared for the 4046 method and the triboelectric testing devices. For the limited number of materials tested, the relationship between decay rate and surface resistivity was investigated as well as the relationship between triboelectric peak voltage and surface resistivity.

Development of an Electrostatically Clean Solar Array Panel

NASA Technical Reports Server (NTRS)

Stern, Theodore G.; Krumweide, Duane; Gaddy, Edward; Katz, Ira

2000-01-01

The results of design, analysis, and qualification of an Electrostatically Clean Solar Array (ECSA) panel are described. The objective of the ECSA design is to provide an electrostatic environment that does not interfere with sensitive instruments on scientific spacecraft. The ECSA design uses large, ITO-coated coverglasses that cover multiple solar cells, an aperture grid that covers the intercell areas, stress-relieved interconnects for connecting the aperture grid to the coverglasses, and edge clips to provides an electromagnetically shielded enclosure for the solar array active circuitry. Qualification coupons were fabricated and tested for photovoltaic response, conductivity, and survivability to launch acoustic and thermal cycling environments simulating LEO and GEO missions. The benefits of reducing solar panel interaction with the space environment are also discussed.

Directional Electrostatic Accretion Process Employing Acoustic Droplet Formation

NASA Technical Reports Server (NTRS)

Oeftering, Richard (Inventor)

1998-01-01

The present invention is directed to an apparatus for manufacturing a free standing solid metal part. In the present invention, metal droplets are ejected in a nozzleless fashion from a free surface pool of molten metal by applying focused acoustic radiation pressure. The acoustic radiation pressure is produced by high intensity acoustic tone bursts emitted from an acoustic source positioned at the bottom of the pool which directs the acoustic energy at the pool surface. The metal droplets are electrostatically charged so their trajectory can be controlled by electric fields that guide the droplets to predetermined points on a target. The droplets impinge upon the target and solidify with the target material. The accretion of the electrostatically directed solidified droplets forms the free standing metal part.

Roles of Long-range Electrostatic Domain Interactions and K+ in Phosphoenzyme Transition of Ca2+-ATPase*

PubMed Central

Yamasaki, Kazuo; Daiho, Takashi; Danko, Stefania; Suzuki, Hiroshi

2013-01-01

Sarcoplasmic reticulum Ca2+-ATPase couples the motions and rearrangements of three cytoplasmic domains (A, P, and N) with Ca2+ transport. We explored the role of electrostatic force in the domain dynamics in a rate-limiting phosphoenzyme (EP) transition by a systematic approach combining electrostatic screening with salts, computer analysis of electric fields in crystal structures, and mutations. Low KCl concentration activated and increasing salt above 0.1 m inhibited the EP transition. A plot of the logarithm of the transition rate versus the square of the mean activity coefficient of the protein gave a linear relationship allowing division of the activation energy into an electrostatic component and a non-electrostatic component in which the screenable electrostatic forces are shielded by salt. Results show that the structural change in the transition is sterically restricted, but that strong electrostatic forces, when K+ is specifically bound at the P domain, come into play to accelerate the reaction. Electric field analysis revealed long-range electrostatic interactions between the N and P domains around their hinge. Mutations of the residues directly involved and other charged residues at the hinge disrupted in parallel the electric field and the structural transition. Favorable electrostatics evidently provides a low energy path for the critical N domain motion toward the P domain, overcoming steric restriction. The systematic approach employed here is, in general, a powerful tool for understanding the structural mechanisms of enzymes. PMID:23737524

Electrostatic fuel conditioning of internal combustion engines

NASA Technical Reports Server (NTRS)

Gold, P. I.

1982-01-01

Diesel engines were tested to determine if they are influenced by the presence of electrostatic and magnetic fields. Field forces were applied in a variety of configurations including pretreatment of the fuel and air, however, no affect on engine performance was observed.

Electrostatic Enhancement of Coagulation in Protoplanetary Nebulae

NASA Technical Reports Server (NTRS)

Marshall, J.; Cuzzi, J.

2001-01-01

Microgravity experiments suggest that electrostatic forces (overwhelmed by normal Earth gravity) could greatly enhance cohesive strength of preplanetary aggregates. Cohesive forces may be 103 times larger than those for van der Waals adhesion. Additional information is contained in the original extended abstract.

Efficacy of electrostatically-charged Glyphosate on ryegrass

USDA-ARS?s Scientific Manuscript database

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...

CHARGE MEASUREMENTS OF PARTICLES EXITING ELECTROSTATIC PRECIPITATORS

EPA Science Inventory

The report gives results of an investigation of particle charging in positive and negative corona discharge as a function of temperature from 38 to 343C in order to establish, especially at hot-side electrostatic precipitator (ESP) temperatures, the relative effectiveness of the ...

Electrostatic effects on dust particles in space

NASA Astrophysics Data System (ADS)

Leung, Philip; Wuerker, Ralph

1992-02-01

The star scanner of the Magellan spacecraft experienced operational anomalies continuously during Magellan's journey to Venus. These anomalies were attributed to the presence of dust particles in the vicinity of the spacecraft. The dust particles, which were originated from the surface of thermal blankets, were liberated when the electrostatic force acting on them was of sufficient magnitude. In order to verify this hypothesis, an experimental program was initiated to study the mechanisms responsible for the release of dust particles from a spacecraft surface. In the experiments, dust particles were immersed in a plasma and/or subjected to ultra-violet irradiation. Results showed that the charging state of a dust particle was strongly dependent on the environment, and the charge on a dust particle was approximately 10(exp 3) elementary charges. Consequently, in the space environment, electrostatic force could be the most dominant force acting on a dust particle.

Machined electrostatic sector for mass spectrometer

NASA Technical Reports Server (NTRS)

Sinha, Mahadeva P. (Inventor)

2001-01-01

An electrostatic sector device for a mass spectrometer is formed from a single piece of machinable ceramic. The machined ceramic is coated with a nickel coating, and a notch is etched in the nickel coating to form two separated portions. The sector can be covered by a cover formed from a separate piece of machined ceramic.

Electrostatic MEMS devices with high reliability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goldsmith, Charles L; Auciello, Orlando H; Sumant, Anirudha V

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.

A Role for Weak Electrostatic Interactions in Peripheral Membrane Protein Binding

PubMed Central

Khan, Hanif M.; He, Tao; Fuglebakk, Edvin; Grauffel, Cédric; Yang, Boqian; Roberts, Mary F.; Gershenson, Anne; Reuter, Nathalie

2016-01-01

Bacillus thuringiensis phosphatidylinositol-specific phospholipase C (BtPI-PLC) is a secreted virulence factor that binds specifically to phosphatidylcholine (PC) bilayers containing negatively charged phospholipids. BtPI-PLC carries a negative net charge and its interfacial binding site has no obvious cluster of basic residues. Continuum electrostatic calculations show that, as expected, nonspecific electrostatic interactions between BtPI-PLC and membranes vary as a function of the fraction of anionic lipids present in the bilayers. Yet they are strikingly weak, with a calculated ΔGel below 1 kcal/mol, largely due to a single lysine (K44). When K44 is mutated to alanine, the equilibrium dissociation constant for small unilamellar vesicles increases more than 50 times (∼2.4 kcal/mol), suggesting that interactions between K44 and lipids are not merely electrostatic. Comparisons of molecular-dynamics simulations performed using different lipid compositions reveal that the bilayer composition does not affect either hydrogen bonds or hydrophobic contacts between the protein interfacial binding site and bilayers. However, the occupancies of cation-π interactions between PC choline headgroups and protein tyrosines vary as a function of PC content. The overall contribution of basic residues to binding affinity is also context dependent and cannot be approximated by a rule-of-thumb value because these residues can contribute to both nonspecific electrostatic and short-range protein-lipid interactions. Additionally, statistics on the distribution of basic amino acids in a data set of membrane-binding domains reveal that weak electrostatics, as observed for BtPI-PLC, might be a less unusual mechanism for peripheral membrane binding than is generally thought. PMID:27028646

Defining Protein Electrostatic Recognition Processes

DTIC Science & Technology

1989-11-30

of the electrostatic potentiai on the molecular surface of negatively charged Asp-101 in the fifth residue of JH1. the hapten and the V regions of...making and aligning expanded molecular dot surfaces for each molecule and checking these surfaces for interpenetration. The program TURNIP used these...the molecular surfaces are separated by 6 and 12A. All orientations have the exposed heme edge of cytochrome c facing the acidic patch of plastocyanin

Electrostatics at the membrane define MscL channel mechanosensitivity and kinetics.

PubMed

Zhong, Dalian; Blount, Paul

2014-12-01

The bacterial mechanosensitive channel of large conductance (MscL) serves as a biological emergency release valve, preventing the occurrence of cell lysis caused by acute osmotic stress. Its tractable nature allows it to serve as a paradigm for how a protein can directly sense membrane tension. Although much is known of the importance of the hydrophobicity of specific residues in channel gating, it has remained unclear whether electrostatics at the membrane plays any role. We studied MscL chimeras derived from functionally distinct orthologues: Escherichia coli and Staphylococcus aureus. Dissection of one set led to an observation that changing the charge of a single residue, K101, of E. coli (Ec)-MscL, effects a channel phenotype: when mutated to a negative residue, the channel is less mechanosensitive and has longer open dwell times. Assuming electrostatic interactions, we determined whether they are due to protein-protein or protein-lipid interactions by performing site-directed mutagenesis elsewhere in the protein and reconstituting channels into defined lipids, with and without negative head groups. We found that although both interactions appear to play some role, the primary determinant of the channel phenotype seems to be protein-lipid electrostatics. The data suggest a model for the role of electrostatic interactions in the dynamics of MscL gating. © FASEB.

Electrostatic solitary waves generated by beam injection in LAPD

NASA Astrophysics Data System (ADS)

Chen, L.; Gekelman, W. N.; Lefebvre, B.; Kintner, P. M.; Pickett, J. S.; Pribyl, P.; Vincena, S. T.

2011-12-01

Spacecraft data have revealed that electrostatic solitary waves are ubiquitous in non-equilibrium collisionless space plasmas. These solitary waves are often the main constituents of the observed electrostatic turbulence. The ubiquitous presence of these solitary waves in space motivated laboratory studies on their generation and evolution in the Large Plasma Device (LAPD) at UCLA. In order to observe these structures, microprobes with scale sizes of order of the Debye length (30 microns) had to be built using Mems technology. A suprathermal electron beam was injected into the afterglow plasma, and solitary waves as well as nonlinear wave packets were measured. The solitary waves are interpreted as BGK electron holes based on their width, amplitude, and velocity characteristics. The ensuing turbulence, including the solitary waves and wave packets, exhibits a band dispersion relation with its central line consistent with the electrostatic whistler mode. One surprise brought by the laboratory experiments is that the electron holes were not generated through resonant two-stream instabilities, but likely through an instability due to parallel currents. The characteristics of the LAPD electron holes and those observed in space will be compared to motivate further theoretical, simulation, and experimental work.

Space Weather Influence on Relative Motion Control using the Touchless Electrostatic Tractor

NASA Astrophysics Data System (ADS)

Hogan, Erik A.; Schaub, Hanspeter

2016-09-01

With recent interest in the use of electrostatic forces for contactless tugging and attitude control of noncooperative objects for orbital servicing and active debris mitigation, the need for a method of remote charge control arises. In this paper, the use of a directed electron beam for remote charge control is considered in conjunction with the relative motion control. A tug vehicle emits an electron beam onto a deputy object, charging it negatively. At the same time, the tug is charged positively due to beam emission, resulting in an attractive electrostatic force. The relative position feedback control between the tug and the passive debris object is studied subject to the charging being created through an electron beam. Employing the nominal variations of the GEO space weather conditions across longitude slots, two electrostatic tugging strategies are considered. First, the electron beam current is adjusted throughout the orbit in order to maximize this resulting electrostatic force. This open-loop control strategy compensates for changes in the nominally expected local space weather environment in the GEO region to adjust for fluctuations in the local plasma return currents. Second, the performance impact of using a fixed electron beam current on the electrostatic tractor is studied if the same natural space weather variations are assumed. The fixed electron beam current shows a minor performance penalty (<5 %) while providing a much simpler implementation that does not require any knowledge of local space weather conditions.

Development of a tandem-electrostatic-quadrupole accelerator facility for BNCT.

PubMed

Kreiner, A J; Thatar Vento, V; Levinas, P; Bergueiro, J; Di Paolo, H; Burlon, A A; Kesque, J M; Valda, A A; Debray, M E; Somacal, H R; Minsky, D M; Estrada, L; Hazarabedian, A; Johann, F; Suarez Sandin, J C; Castell, W; Davidson, J; Davidson, M; Giboudot, Y; Repetto, M; Obligado, M; Nery, J P; Huck, H; Igarzabal, M; Fernandez Salares, A

2009-07-01

In this work we describe the present status of an ongoing project to develop a tandem-electrostatic-quadrupole (TESQ) accelerator facility for accelerator-based (AB) BNCT at the Atomic Energy Commission of Argentina in Buenos Aires. The project final goal is a machine capable of delivering 30 mA of 2.4 MeV protons to be used in conjunction with a neutron production target based on the (7)Li(p,n)(7)Be reaction slightly beyond its resonance at 2.25 MeV. These are the specifications needed to produce sufficiently intense and clean epithermal neutron beams, based on the (7)Li(p,n)(7)Be reaction, to perform BNCT treatment for deep-seated tumors in less than an hour. An electrostatic machine is the technologically simplest and cheapest solution for optimized AB-BNCT. The machine being designed and constructed is a folded TESQ with a high-voltage terminal at 1.2 MV intended to work in air. Such a machine is conceptually shown to be capable of transporting and accelerating a 30 mA proton beam to 2.4 MeV. The general geometric layout, its associated electrostatic fields, and the acceleration tube are simulated using a 3D finite element procedure. The design and construction of the ESQ modules is discussed and their electrostatic fields are investigated. Beam transport calculations through the accelerator are briefly mentioned. Likewise, work related to neutron production targets, strippers, beam shaping assembly and patient treatment room is briefly described.

Calculations of the electrostatic potential adjacent to model phospholipid bilayers.

PubMed Central

Peitzsch, R M; Eisenberg, M; Sharp, K A; McLaughlin, S

1995-01-01

We used the nonlinear Poisson-Boltzmann equation to calculate electrostatic potentials in the aqueous phase adjacent to model phospholipid bilayers containing mixtures of zwitterionic lipids (phosphatidylcholine) and acidic lipids (phosphatidylserine or phosphatidylglycerol). The aqueous phase (relative permittivity, epsilon r = 80) contains 0.1 M monovalent salt. When the bilayers contain < 11% acidic lipid, the -25 mV equipotential surfaces are discrete domes centered over the negatively charged lipids and are approximately twice the value calculated using Debye-Hückel theory. When the bilayers contain > 25% acidic lipid, the -25 mV equipotential profiles are essentially flat and agree well with the values calculated using Gouy-Chapman theory. When the bilayers contain 100% acidic lipid, all of the equipotential surfaces are flat and agree with Gouy-Chapman predictions (including the -100 mV surface, which is located only 1 A from the outermost atoms). Even our model bilayers are not simple systems: the charge on each lipid is distributed over several atoms, these partial charges are non-coplanar, there is a 2 A ion-exclusion region (epsilon r = 80) adjacent to the polar headgroups, and the molecular surface is rough. We investigated the effect of these four factors using smooth (or bumpy) epsilon r = 2 slabs with embedded point charges: these factors had only minor effects on the potential in the aqueous phase. Images FIGURE 1 FIGURE 2 FIGURE 3 FIGURE 4 PMID:7756540

Electrostatic Studies for the 2008 Hubble Service Repair Mission

NASA Technical Reports Server (NTRS)

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.

Exploring the Feasibility of Electrostatic Shielding for Spacecrafts

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Wilson, J. W.; Youngquist, R. C.

2005-01-01

NASA is moving forward towards the agency's new vision for space exploration in the 21st Century encompassing a broad range of human and robotic missions including missions to Moon, Mars and beyond. Exposure from the hazards of severe space radiation in deep space long duration missions is the show stopper. Langley has developed state-of-the-art radiation protection and shielding technology for space missions. The payload penalty demands a very stringent requirement on the design of the spacecrafts for human deep space missions. The exploration beyond low Earth orbit (LEO) to enable routine access to more interesting regions of space will require protection from the hazards of the accumulated exposures of space radiation, Galactic Cosmic Rays (GCR) and Solar Particle Events (SPE), and minimizing the production of secondary radiation is a great advantage. There is a need to look to new horizons for newer technologies. The present investigation explores the feasibility of using electrostatic shielding in concert with innovative materials shielding and protection technologies. The asymmetries of the radiation shielding problem would be exploited in the electrostatics shielding process. The goal is to repel enough positive charge ions so that they miss the spacecraft without attracting thermal electrons. Conclusions are drawn about the advantages the electrostatic shielding, should it be successful, would bring to the radiation protection design process.

Effects of electrostatic interactions on ligand dissociation kinetics

NASA Astrophysics Data System (ADS)

Erbaş, Aykut; de la Cruz, Monica Olvera; Marko, John F.

2018-02-01

We study unbinding of multivalent cationic ligands from oppositely charged polymeric binding sites sparsely grafted on a flat neutral substrate. Our molecular dynamics simulations are suggested by single-molecule studies of protein-DNA interactions. We consider univalent salt concentrations spanning roughly a 1000-fold range, together with various concentrations of excess ligands in solution. To reveal the ionic effects on unbinding kinetics of spontaneous and facilitated dissociation mechanisms, we treat electrostatic interactions both at a Debye-Hückel (DH) (or implicit ions, i.e., use of an electrostatic potential with a prescribed decay length) level and by the more precise approach of considering all ionic species explicitly in the simulations. We find that the DH approach systematically overestimates unbinding rates, relative to the calculations where all ion pairs are present explicitly in solution, although many aspects of the two types of calculation are qualitatively similar. For facilitated dissociation (FD) (acceleration of unbinding by free ligands in solution) explicit-ion simulations lead to unbinding at lower free-ligand concentrations. Our simulations predict a variety of FD regimes as a function of free-ligand and ion concentrations; a particularly interesting regime is at intermediate concentrations of ligands where nonelectrostatic binding strength controls FD. We conclude that explicit-ion electrostatic modeling is an essential component to quantitatively tackle problems in molecular ligand dissociation, including nucleic-acid-binding proteins.

Evaluation of the influence of the internal aqueous solvent structure on electrostatic interactions at the protein-solvent interface by nonlocal continuum electrostatic approach.

PubMed

Rubinstein, Alexander; Sherman, Simon

The dielectric properties of the polar solvent on the protein-solvent interface at small intercharge distances are still poorly explored. To deconvolute this problem and to evaluate the pair-wise electrostatic interaction (PEI) energies of the point charges located at the protein-solvent interface we used a nonlocal (NL) electrostatic approach along with a static NL dielectric response function of water. The influence of the aqueous solvent microstructure (determined by a strong nonelectrostatic correlation effect between water dipoles within the orientational Debye polarization mode) on electrostatic interactions at the interface was studied in our work. It was shown that the PEI energies can be significantly higher than the energies evaluated by the classical (local) consideration, treating water molecules as belonging to the bulk solvent with a high dielectric constant. Our analysis points to the existence of a rather extended, effective low-dielectric interfacial water shell on the protein surface. The main dielectric properties of this shell (effective thickness together with distance- and orientation-dependent dielectric permittivity function) were evaluated. The dramatic role of this shell was demonstrated when estimating the protein association rate constants.

Spectral broadening of VLF transmitter signals observed on DE 1 - A quasi-electrostatic phenomenon?

NASA Technical Reports Server (NTRS)

Inan, U. S.; Bell, T. F.

1985-01-01

Spectrally broadened VLF transmitter signals are observed on the DE 1 satellite using alternatively both electric and magnetic field sensors. It is found that at times when the electric field component undergoes significant bandwidth expansion (up to about 110 Hz) the magnetic field component has a bandwidth of less than 10 Hz. The results support the theory that the off-carrier components are quasi-electrostatic in nature. Measurement of the absolute E and B field magnitudes of the broadened signals are used to determine the wave Poynting vector. It is found that the observed power levels can be understood without invoking any strong amplification process that operates in conjunction with the spectral broadening. The implications of this finding in distinguishing among the various possible mechanisms for spectral broadening are discussed.

Determination of auroral electrostatic potentials using high- and low-altitude particle distributions

NASA Technical Reports Server (NTRS)

Reiff, P. H.; Collin, H. L.; Craven, J. D.; Burch, J. L.; Winningham, J. D.

1988-01-01

The auroral electrostatic potential differences were determined from the particle distribution functions obtained nearly simultaneously above and below the auroral acceleration region by DE-1 at altitudes 9000-15,000 km and DE-2 at 400-800 km. Three independent techniques were used: (1) the peak energies of precipitating electrons observed by DE-2, (2) the widening of loss cones for upward traveling electrons observed by DE-1, and (3) the energies of upgoing ions observed by DE-1. The assumed parallel electrostatic potential difference calculated by the three methods was nearly the same. The results confirmed the hypothesis that parallel electrostatic fields of 1-10 kV potential drop at 1-2 earth radii altitude are an important source for auroral particle acceleration.

Energy harvesting with stacked dielectric elastomer transducers: Nonlinear theory, optimization, and linearized scaling law

NASA Astrophysics Data System (ADS)

Tutcuoglu, A.; Majidi, C.

2014-12-01

Using principles of damped harmonic oscillation with continuous media, we examine electrostatic energy harvesting with a "soft-matter" array of dielectric elastomer (DE) transducers. The array is composed of infinitely thin and deformable electrodes separated by layers of insulating elastomer. During vibration, it deforms longitudinally, resulting in a change in the capacitance and electrical enthalpy of the charged electrodes. Depending on the phase of electrostatic loading, the DE array can function as either an actuator that amplifies small vibrations or a generator that converts these external excitations into electrical power. Both cases are addressed with a comprehensive theory that accounts for the influence of viscoelasticity, dielectric breakdown, and electromechanical coupling induced by Maxwell stress. In the case of a linearized Kelvin-Voigt model of the dielectric, we obtain a closed-form estimate for the electrical power output and a scaling law for DE generator design. For the complete nonlinear model, we obtain the optimal electrostatic voltage input for maximum electrical power output.

Undamped electrostatic plasma waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Valentini, F.; Perrone, D.; Veltri, P.

2012-09-15

Electrostatic waves in a collision-free unmagnetized plasma of electrons with fixed ions are investigated for electron equilibrium velocity distribution functions that deviate slightly from Maxwellian. Of interest are undamped waves that are the small amplitude limit of nonlinear excitations, such as electron acoustic waves (EAWs). A deviation consisting of a small plateau, a region with zero velocity derivative over a width that is a very small fraction of the electron thermal speed, is shown to give rise to new undamped modes, which here are named corner modes. The presence of the plateau turns off Landau damping and allows oscillations withmore » phase speeds within the plateau. These undamped waves are obtained in a wide region of the (k,{omega}{sub R}) plane ({omega}{sub R} being the real part of the wave frequency and k the wavenumber), away from the well-known 'thumb curve' for Langmuir waves and EAWs based on the Maxwellian. Results of nonlinear Vlasov-Poisson simulations that corroborate the existence of these modes are described. It is also shown that deviations caused by fattening the tail of the distribution shift roots off of the thumb curve toward lower k-values and chopping the tail shifts them toward higher k-values. In addition, a rule of thumb is obtained for assessing how the existence of a plateau shifts roots off of the thumb curve. Suggestions are made for interpreting experimental observations of electrostatic waves, such as recent ones in nonneutral plasmas.« less

Apparatus for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman; Binderbauer, Michl

2013-06-11

An apparatus and method for containing plasma and forming a Field Reversed Configuration (FRC) magnetic topology are described in which plasma ions are contained magnetically in stable, non-adiabatic orbits in the FRC. Further, the electrons are contained electrostatically in a deep energy well, created by tuning an externally applied magnetic field. The simultaneous electrostatic confinement of electrons and magnetic confinement of ions avoids anomalous transport and facilitates classical containment of both electrons and ions. In this configuration, ions and electrons may have adequate density and temperature so that upon collisions ions are fused together by nuclear force, thus releasing fusion energy. Moreover, the fusion fuel plasmas that can be used with the present confinement system and method are not limited to neutronic fuels only, but also advantageously include advanced fuels.

Apparatus for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman; Binderbauer, Michl

2016-07-05

An apparatus and method for containing plasma and forming a Field Reversed Configuration (FRC) magnetic topology are described in which plasma ions are contained magnetically in stable, non-adiabatic orbits in the FRC. Further, the electrons are contained electrostatically in a deep energy well, created by tuning an externally applied magnetic field. The simultaneous electrostatic confinement of electrons and magnetic confinement of ions avoids anomalous transport and facilitates classical containment of both electrons and ions. In this configuration, ions and electrons may have adequate density and temperature so that upon collisions ions are fused together by nuclear force, thus releasing fusion energy. Moreover, the fusion fuel plasmas that can be used with the present confinement system and method are not limited to neutronic fuels only, but also advantageously include advanced fuels.

Apparatus for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman; Binderbauer, Michl

2006-10-31

An apparatus and method for containing plasma and forming a Field Reversed Configuration (FRC) magnetic topology are described in which plasma ions are contained magnetically in stable, non-adiabatic orbits in the FRC. Further, the electrons are contained electrostatically in a deep energy well, created by tuning an externally applied magnetic field. The simultaneous electrostatic confinement of electrons and magnetic confinement of ions avoids anomalous transport and facilitates classical containment of both electrons and ions. In this configuration, ions and electrons may have adequate density and temperature so that upon collisions they are fused together by nuclear force, thus releasing fusion energy. Moreover, the fusion fuel plasmas that can be used with the present confinement system and method are not limited to neutronic fuels only, but also advantageously include advanced fuels.

Apparatus for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman; Binderbauer, Michl

2006-04-11

An apparatus and method for containing plasma and forming a Field Reversed Configuration (FRC) magnetic topology are described in which plasma ions are contained magnetically in stable, non-adiabatic orbits in the FRC. Further, the electrons are contained electrostatically in a deep energy well, created by tuning an externally applied magnetic field. The simultaneous electrostatic confinement of electrons and magnetic confinement of ions avoids anomalous transport and facilitates classical containment of both electrons and ions. In this configuration, ions and electrons may have adequate density and temperature so that upon collisions they are fused together by nuclear force, thus releasing fusion energy. Moreover, the fusion fuel plasmas that can be used with the present confinement system and method are not limited to neutronic fuels only, but also advantageously include advanced fuels.

Apparatus for magnetic and electrostatic confinement of plasma

DOEpatents

Rostoker, Norman [Irvine, CA; Binderbauer, Michl [Irvine, CA

2009-08-04

An apparatus and method for containing plasma and forming a Field Reversed Configuration (FRC) magnetic topology are described in which plasma ions are contained magnetically in stable, non-adiabatic orbits in the FRC. Further, the electrons are contained electrostatically in a deep energy well, created by tuning an externally applied magnetic field. The simultaneous electrostatic confinement of electrons and magnetic confinement of ions avoids anomalous transport and facilitates classical containment of both electrons and ions. In this configuration, ions and electrons may have adequate density and temperature so that upon collisions ions are fused together by nuclear force, thus releasing fusion energy. Moreover, the fusion fuel plasmas that can be used with the present confinement system and method are not limited to neutronic fuels only, but also advantageously include advanced fuels.

Effects of conformational ordering on protein/polyelectrolyte electrostatic complexation: ionic binding and chain stiffening

PubMed Central

Cao, Yiping; Fang, Yapeng; Nishinari, Katsuyoshi; Phillips, Glyn O.

2016-01-01

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. PMID:27030165

Electrostatic ion thruster optics calculations

NASA Technical Reports Server (NTRS)

Whealton, John H.; Kirkman, David A.; Raridon, R. J.

1992-01-01

Calculations have been performed which encompass both a self-consistent ion source extraction plasma sheath and the primary ion optics including sheath and electrode-induced aberrations. Particular attention is given to the effects of beam space charge, accelerator geometry, and properties of the downstream plasma sheath on the position of the electrostatic potential saddle point near the extractor electrode. The electron blocking potential blocking is described as a function of electrode thickness and secondary plasma processes.

Electromechanical instability in soft materials: Theory, experiments and applications

NASA Astrophysics Data System (ADS)

Suo, Zhigang

2013-03-01

Subject to a voltage, a membrane of a dielectric elastomer reduces thickness and expands area, possibly straining over 100%. The phenomenon is being developed as transducers for broad applications, including soft robots, adaptive optics, Braille displays, and electric generators. The behavior of dielectric elastomers is closely tied to electromechanical instability. This instability may limit the performance of devices, and may also be used to achieve giant actuation strains. This talk reviews the theory of dielectric elastomers, coupling large deformation and electric potential. The theory is developed within the framework of continuum mechanics and thermodynamics. The theory attempts to answer commonly asked questions. How do mechanics and electrostatics work together to generate large deformation? How efficiently can a material convert energy from one form to another? How do molecular processes affect macroscopic behavior? The theory is used to describe electromechanical instability, and is related to recent experiments.

Electrostatic forces in the Poisson-Boltzmann systems

NASA Astrophysics Data System (ADS)

Xiao, Li; Cai, Qin; Ye, Xiang; Wang, Jun; Luo, Ray

2013-09-01

Continuum modeling of electrostatic interactions based upon numerical solutions of the Poisson-Boltzmann equation has been widely used in structural and functional analyses of biomolecules. A limitation of the numerical strategies is that it is conceptually difficult to incorporate these types of models into molecular mechanics simulations, mainly because of the issue in assigning atomic forces. In this theoretical study, we first derived the Maxwell stress tensor for molecular systems obeying the full nonlinear Poisson-Boltzmann equation. We further derived formulations of analytical electrostatic forces given the Maxwell stress tensor and discussed the relations of the formulations with those published in the literature. We showed that the formulations derived from the Maxwell stress tensor require a weaker condition for its validity, applicable to nonlinear Poisson-Boltzmann systems with a finite number of singularities such as atomic point charges and the existence of discontinuous dielectric as in the widely used classical piece-wise constant dielectric models.

The Exploration Portable Electrostatic Detector (xPED)

NASA Technical Reports Server (NTRS)

Jackson, Telana L.; Farrell, William M.

2012-01-01

Astronauts and rovers, while exploring dynamic environments, can experience charge buildup through Tribo-charging (contact electrification). Charge levels can become substantially high. especially in areas where photoelectric and plasma currents are reduced (e.g. lunar polar crater). Tribo-charging in areas that have little to no charge dissipative path can be severe, leaving an astronaut or roving object to remain charged for extended periods of time. Charge buildup on space suits and/or rovers is expected to present significant hazards to missions, such as electrostatic discharge and arcing, dust adhesion to space suits/equipment, and destruction of equipment. The avoidance of hazards associated with charge buildup is critical for future NASA missions to near earth objects, the Moon and Mars. The Exploration Portable Electrostatic Device (xPED) will allow astronauts to determine their charge state, and also characterize the electrical environment from their excursions. xPED would benefit manned, as well as robotic missions.

Two-stage electrostatic precipitator using induction charging

NASA Astrophysics Data System (ADS)

Takashima, Kazunori; Kohno, Hiromu; Katatani, Atsushi; Kurita, Hirofumi; Mizuno, Akira

2018-05-01

An electrostatic precipitator (ESP) without using corona discharge was investigated herein. The ESP employed a two-stage configuration, consisting of an induction charging-based particle charger and a parallel plate type particle collector. By applying a high voltage of several kV, under which no corona discharge was generated in the charger, particles were charged by induction due to contact with charger electrodes. The amount of charge on the charged particles increased with the applied voltage and turbulent air flow in the charger. Performance of the ESP equipped with the induction charger was investigated using ambient air. The removal efficiency for particles ranging 0.3 µm to 5 µm in diameter increased with applied voltage and turbulence intensity of gas flow in the charger when the applied voltage was sufficiently low not to generate corona discharge. This suggests that induction charging can be used for electrostatic precipitation, which can reduce ozone generation and power consumption significantly.

Ultrafast collisional ion heating by electrostatic shocks.

PubMed

Turrell, A E; Sherlock, M; Rose, S J

2015-11-13

High-intensity lasers can be used to generate shockwaves, which have found applications in nuclear fusion, proton imaging, cancer therapies and materials science. Collisionless electrostatic shocks are one type of shockwave widely studied for applications involving ion acceleration. Here we show a novel mechanism for collisionless electrostatic shocks to heat small amounts of solid density matter to temperatures of ∼keV in tens of femtoseconds. Unusually, electrons play no direct role in the heating and it is the ions that determine the heating rate. Ions are heated due to an interplay between the electric field of the shock, the local density increase during the passage of the shock and collisions between different species of ion. In simulations, these factors combine to produce rapid, localized heating of the lighter ion species. Although the heated volume is modest, this would be one of the fastest heating mechanisms discovered if demonstrated in the laboratory.

Symmetry-adapted perturbation theory interaction energy decomposition for some noble gas complexes

NASA Astrophysics Data System (ADS)

Cukras, Janusz; Sadlej, Joanna

2008-06-01

This Letter contains a study of the interaction energy in HArF⋯N 2 and HArF⋯P 2 complexes. Symmetry-adapted perturbation theory (SAPT) has been applied to analyze the electrostatic, induction, dispersion and exchange contributions to the total interaction energy. The interaction energy has also been obtained by supermolecular method at the MP2, MP4, CCSD, CCSD(T) levels. The interaction energy for the studied complexes results from a partial cancelation of large attractive electrostatic, induction, dispersion terms by a strong repulsive exchange contribution. The induction and dispersion effects proved to be crucial in establishing the preference for the colinear HArF⋯N 2 and HArF⋯P 2 structures and shift direction of νHAr stretching vibrations.

Electrostatic Return of Contaminants

NASA Technical Reports Server (NTRS)

Rantanen, R.; Gordon, T.

2003-01-01

A Model has been developed capable of calculating the electrostatic return of spacecraft-emitted molecules that are ionized and attracted back to the spacecraft by the spacecraft electric potential on its surfaces. The return of ionized contaminant molecules to charged spacecraft surfaces is very important to all altitudes. It is especially important at geosynchronous and interplanetary environments, since it may be the only mechanism by which contaminants can degrade a surface. This model is applicable to all altitudes and spacecraft geometries. In addition to results of the model will be completed to cover a wide range of potential space systems.

Electrostatic interaction based approach to thrombin detection by surface-enhanced Raman spectroscopy.

PubMed

Hu, Juan; Zheng, Peng-Cheng; Jiang, Jian-Hui; Shen, Guo-Li; Yu, Ru-Qin; Liu, Guo-Kun

2009-01-01

We have developed an electrostatic interaction based biosensor for thrombin detection using surface-enhanced Raman spectroscopy (SERS). This method utilized the electrostatic interaction between capture (thrombin aptamer) and probe (crystal violet, CV) molecules. The specific interaction between thrombin and aptamer could weaken the electrostatic barrier effect from the negative charged aptamer SAMs to the diffusion process of the positively charged CV from the bulk solution to the Au nanoparticle surface. Therefore, the more the bound thrombin, the more the CV molecules near the Au nanoparticle surface and the stronger the observed Raman signal of CV, provided the Raman detections were set at the same time point for each case. This procedure presented a highly specific selectivity and a linear detection of thrombin in the range from 0.1 nM to 10 nM with a detection limit of about 20 pM and realized the thrombin detection in human blood serum solution directly. The electrostatic interaction based technique provides an easy and fast-responding optical platform for a "signal-on" detection of proteins, which might be applicable for the real time assay of proteins.

Accelerating Electrostatic Surface Potential Calculation with Multiscale Approximation on Graphics Processing Units

PubMed Central

Anandakrishnan, Ramu; Scogland, Tom R. W.; Fenley, Andrew T.; Gordon, John C.; Feng, Wu-chun; Onufriev, Alexey V.

2010-01-01

Tools that compute and visualize biomolecular electrostatic surface potential have been used extensively for studying biomolecular function. However, determining the surface potential for large biomolecules on a typical desktop computer can take days or longer using currently available tools and methods. Two commonly used techniques to speed up these types of electrostatic computations are approximations based on multi-scale coarse-graining and parallelization across multiple processors. This paper demonstrates that for the computation of electrostatic surface potential, these two techniques can be combined to deliver significantly greater speed-up than either one separately, something that is in general not always possible. Specifically, the electrostatic potential computation, using an analytical linearized Poisson Boltzmann (ALPB) method, is approximated using the hierarchical charge partitioning (HCP) multiscale method, and parallelized on an ATI Radeon 4870 graphical processing unit (GPU). The implementation delivers a combined 934-fold speed-up for a 476,040 atom viral capsid, compared to an equivalent non-parallel implementation on an Intel E6550 CPU without the approximation. This speed-up is significantly greater than the 42-fold speed-up for the HCP approximation alone or the 182-fold speed-up for the GPU alone. PMID:20452792

Rational redesign of inhibitors of furin/kexin processing proteases by electrostatic mutations.

PubMed

Cai, Xiao-hui; Zhang, Qing; Ding, Da-fu

2004-12-01

To model the three-dimensional structure and investigate the interaction mechanism of the proprotein convertase furin/kexin and their inhibitors (eglin c mutants). The three-dimensional complex structures of furin/kexin with its inhibitors, eglin c mutants, were generated by modeller program using the newly published X-ray crystallographical structures of mouse furin and yeast kexin as templates. The electrostatic interaction energy of each complex was calculated and the results were compared with the experimentally determined inhibition constants to find the correlation between them. High quality models of furin/kexin-eglin c mutants were obtained and used for calculation of the electrostatic interaction energies between the proteases and their inhibitors. The calculated electrostatic energies of interaction showed a linear correlation to the experimental inhibition constants. The modeled structures give good explanations of the specificity of eglin c mutants to furin/kexin. The electrostatic interactions play important roles in inhibitory activity of eglin c mutants to furin/kexin. The results presented here provided quantitative structural and functional information concerning the role of the charge-charge interactions in the binding of furin/kexin and their inhibitors.

Structural phase transition in monolayer MoTe2 driven by electrostatic doping

NASA Astrophysics Data System (ADS)

Wang, Ying; Xiao, Jun; Zhu, Hanyu; Li, Yao; Alsaid, Yousif; Fong, King Yan; Zhou, Yao; Wang, Siqi; Shi, Wu; Wang, Yuan; Zettl, Alex; Reed, Evan J.; Zhang, Xiang

2017-10-01

Monolayers of transition-metal dichalcogenides (TMDs) exhibit numerous crystal phases with distinct structures, symmetries and physical properties. Exploring the physics of transitions between these different structural phases in two dimensions may provide a means of switching material properties, with implications for potential applications. Structural phase transitions in TMDs have so far been induced by thermal or chemical means; purely electrostatic control over crystal phases through electrostatic doping was recently proposed as a theoretical possibility, but has not yet been realized. Here we report the experimental demonstration of an electrostatic-doping-driven phase transition between the hexagonal and monoclinic phases of monolayer molybdenum ditelluride (MoTe2). We find that the phase transition shows a hysteretic loop in Raman spectra, and can be reversed by increasing or decreasing the gate voltage. We also combine second-harmonic generation spectroscopy with polarization-resolved Raman spectroscopy to show that the induced monoclinic phase preserves the crystal orientation of the original hexagonal phase. Moreover, this structural phase transition occurs simultaneously across the whole sample. This electrostatic-doping control of structural phase transition opens up new possibilities for developing phase-change devices based on atomically thin membranes.

ELECTROSTATIC MEMORY SYSTEM

DOEpatents

Chu, J.C.

1958-09-23

An improved electrostatic memory system is de scribed fer a digital computer wherein a plarality of storage tubes are adapted to operate in either of two possible modes. According to the present irvention, duplicate storage tubes are provided fur each denominational order of the several binary digits. A single discriminator system is provided between corresponding duplicate tubes to determine the character of the infurmation stored in each. If either tube produces the selected type signal, corresponding to binazy "1" in the preferred embodiment, a "1" is regenerated in both tubes. In one mode of operation each bit of information is stored in two corresponding tubes, while in the other mode of operation each bit is stored in only one tube in the conventional manner.

Electrostatic Charging of Polymers by Particle Impact at Low Pressures

NASA Technical Reports Server (NTRS)

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.

A study of electrostatic spring softening for dual-axis micromirror

NASA Astrophysics Data System (ADS)

Zhao, Yi; E H Tay, Francis; Zhou, Guangya; Siong Chau, Fook

2006-08-01

Electrostatic spring softening is an important characteristic of electrostatically actuated dual-axis micromirror, since it lowers the resonant frequencies. This paper presents an approach based on approximating the electrostatic forces by the first-order Taylor's series expansion to investigate this characteristic. The dual-axis micromirror studied in this paper has three motion modes, two torsional (about x- and y-axis, respectively) and one translational (about z-axis). The stiffnesses of all these modes are softened by a DC bias voltage applied to the mirror plate. The resonant frequencies are lowered with the increment of the bias voltage. The relationship of the bias voltage and the resonant frequencies of all the motion modes is derived. The analytical results show that the resonant frequency curves are affected by the capacitor geometries, i.e. the gap between the mirror plate and the electrodes and the electrodes size. The lowering curves drop slowly when the bias voltage is small. While for large bias voltage, the lowering curves drop rapidly. The experiment results are consistent with those obtained by the analytical approach.

Factors determining electrostatic fields in molecular dynamics simulations of the Ras/effector interface.

PubMed

Ensign, Daniel L; Webb, Lauren J

2011-12-01

Using molecular dynamics simulations, we explore geometric and physical factors contributing to calculated electrostatic fields at the binding surface of the GTPase Ras with a spectroscopically labeled variant of a downstream effector, the Ras-binding domain of Ral guanine nucleotide dissociation stimulator (RalGDS). A related system (differing by mutation of one amino acid) has been studied in our group using vibrational Stark effect spectroscopy, a technique sensitive to electrostatic fields. Electrostatic fields were computed using the AMBER 2003 force field and averaged over snapshots from molecular dynamics simulation. We investigate geometric factors by exploring how the orientation of the spectroscopic probe changes on Ras-effector binding. In addition, we explore the physical origin of electrostatic fields at our spectroscopic probe by comparing contributions to the field from discrete components of the system, such as explicit solvent, residues on the Ras surface, and residues on the RalGDS surface. These models support our experimental hypothesis that vibrational Stark shifts are caused by Ras binding to its effector and not the structural rearrangements of the effector surface or probe reorientation on Ras-effector binding, for at least some of our experimental probes. These calculations provide physical insight into the origin, magnitude, and importance of electrostatic fields in protein-protein interactions and suggest new experiments to probe the field's role in protein docking. Copyright © 2011 Wiley-Liss, Inc.