Relevant bibliographies by topics / Electrostatics

Academic literature on the topic 'Electrostatics'

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Published: 4 June 2021
Last updated: 31 July 2024

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Journal articles on the topic "Electrostatics"

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Kim, Y., W. Sang Chung, and H. Hassanabadi. "Deviation of inverse square law based on Dunkl derivative: deformed Coulomb’s law." Revista Mexicana de Física 66, no. 4 Jul-Aug (July 1, 2020): 411. http://dx.doi.org/10.31349/revmexfis.66.411.

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In this paper we consider the Coulomb’s law with deviation. We use the Dunkl derivative to derive the deformed Gauss law for the electric field and the electrostatic potentialwhich gives a new deformed electrostatics called a Dunkl-deformed electrostatics. Wemodify the Dunkl derivative for the electric field for multi sources or continuous chargedistribution. We discuss some examples of the Dunkl-deformed electrostatics.
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Issa, Naiem T., Stephen W. Byers, and Sivanesan Dakshanamurthy. "ES-Screen: A Novel Electrostatics-Driven Method for Drug Discovery Virtual Screening." International Journal of Molecular Sciences 23, no. 23 (November 27, 2022): 14830. http://dx.doi.org/10.3390/ijms232314830.

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Electrostatic interactions drive biomolecular interactions and associations. Computational modeling of electrostatics in biomolecular systems, such as protein-ligand, protein–protein, and protein-DNA, has provided atomistic insights into the binding process. In drug discovery, finding biologically plausible ligand-protein target interactions is challenging as current virtual screening and adjuvant techniques such as docking methods do not provide optimal treatment of electrostatic interactions. This study describes a novel electrostatics-driven virtual screening method called ‘ES-Screen’ that performs well across diverse protein target systems. ES-Screen provides a unique treatment of electrostatic interaction energies independent of total electrostatic free energy, typically employed by current software. Importantly, ES-Screen uses initial ligand pose input obtained from a receptor-based pharmacophore, thus independent of molecular docking. ES-Screen integrates individual polar and nonpolar replacement energies, which are the energy costs of replacing the cognate ligand for a target with a query ligand from the screening. This uniquely optimizes thermodynamic stability in electrostatic and nonpolar interactions relative to an experimentally determined stable binding state. ES-Screen also integrates chemometrics through shape and other physicochemical properties to prioritize query ligands with the greatest physicochemical similarities to the cognate ligand. The applicability of ES-Screen is demonstrated with in vitro experiments by identifying novel targets for many drugs. The present version includes a combination of many other descriptor components that, in a future version, will be purely based on electrostatics. Therefore, ES-Screen is a first-in-class unique electrostatics-driven virtual screening method with a unique implementation of replacement electrostatic interaction energies with broad applicability in drug discovery.
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Lazar, Markus, and Eleni Agiasofitou. "The J-, M- and L-integrals of body charges and body forces: Maxwell meets Eshelby." Journal of Micromechanics and Molecular Physics 03, no. 03n04 (September 2018): 1840012. http://dx.doi.org/10.1142/s242491301840012x.

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In this work, we derive the [Formula: see text]-, [Formula: see text]- and [Formula: see text]-integrals of body charges and point charges in electrostatics, and the [Formula: see text]-, [Formula: see text]- and [Formula: see text]-integrals of body forces and point forces in elasticity and we investigate their physical interpretation. Electrostatics is considered as field theory of an electrostatic scalar potential [Formula: see text] (scalar field theory) and elasticity as field theory of a displacement vector [Formula: see text] (vector field theory). One of the basic quantities appearing in the [Formula: see text]-, [Formula: see text]- and [Formula: see text]-integrals is the electrostatic Maxwell–Minkowski stress tensor in electrostatics and the Eshelby stress tensor in elasticity. Among others, it is shown that the [Formula: see text]-integral of body charges in electrostatics represents the electrostatic part of the Lorentz force, and the [Formula: see text]-integral of body forces in elasticity represents the Cherepanov force. The [Formula: see text]-integral between two-point sources (charges or forces) equals half the electrostatic interaction energy in electrostatics and half the elastic interaction energy in elasticity between these two-point sources. The [Formula: see text]-integral represents the configurational vector moment or torque between two body or point sources (charges or forces). Interesting mathematical and physical features are revealed through the connection of the [Formula: see text]-, [Formula: see text]- and [Formula: see text]-integrals with their corresponding infinitesimal generators in both theories. Several important outcomes arise from the comparison between the examined concepts in electrostatics and elasticity. Differences and similarities, that provide a deeper insight into the [Formula: see text]-, [Formula: see text]- and [Formula: see text]-integrals and the related quantities to them, are pointed out and discussed. The presented results show that the [Formula: see text]-, [Formula: see text]- and [Formula: see text]-integrals are fundamental concepts which can be applied in any field theory.
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Sun, Shengjie, Pitambar Poudel, Emil Alexov, and Lin Li. "Electrostatics in Computational Biophysics and Its Implications for Disease Effects." International Journal of Molecular Sciences 23, no. 18 (September 7, 2022): 10347. http://dx.doi.org/10.3390/ijms231810347.

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This review outlines the role of electrostatics in computational molecular biophysics and its implication in altering wild-type characteristics of biological macromolecules, and thus the contribution of electrostatics to disease mechanisms. The work is not intended to review existing computational approaches or to propose further developments. Instead, it summarizes the outcomes of relevant studies and provides a generalized classification of major mechanisms that involve electrostatic effects in both wild-type and mutant biological macromolecules. It emphasizes the complex role of electrostatics in molecular biophysics, such that the long range of electrostatic interactions causes them to dominate all other forces at distances larger than several Angstroms, while at the same time, the alteration of short-range wild-type electrostatic pairwise interactions can have pronounced effects as well. Because of this dual nature of electrostatic interactions, being dominant at long-range and being very specific at short-range, their implications for wild-type structure and function are quite pronounced. Therefore, any disruption of the complex electrostatic network of interactions may abolish wild-type functionality and could be the dominant factor contributing to pathogenicity. However, we also outline that due to the plasticity of biological macromolecules, the effect of amino acid mutation may be reduced, and thus a charge deletion or insertion may not necessarily be deleterious.
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Petrin A. B. "Development and generalization of the method of reflections in problems of electrostatics and thermal conductivity of plane-layered media." Technical Physics 68, no. 3 (2023): 295. http://dx.doi.org/10.21883/tp.2023.03.55802.251-22.

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The method of mirror reflections of electrostatics for a point charge located next to a plane-layered medium consisting of a single film on a dielectric half-space is formulated. The method is generalized to the case of an arbitrary system of charges. The proposed approach is applied to mathematically similar problems of electrostatics and stationary heat conduction of plane-layered media. In particular, the problems of finding distributions of the electrostatic potential around a conducting sphere, an ellipsoid of revolution and a drop-shaped body located near the dielectric film on the dielectric half-space. It is shown how to apply the results obtained for electrostatic problems to similar problems of finding the temperature distribution of uniformly heated bodies of the same geometry located near a heat-conducting film in a heat-conducting half-space. Keywords: plane-layered medium, mirror reflection method, electrostatics, thermal conductivity.
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Killgore, Jason P., Larry Robins, and Liam Collins. "Electrostatically-blind quantitative piezoresponse force microscopy free of distributed-force artifacts." Nanoscale Advances 4, no. 8 (2022): 2036–45. http://dx.doi.org/10.1039/d2na00046f.

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Electrostatic forces complicate the interpretation of piezoresponse force microscopy (PFM). Electrostatic blind spot (ESBS) PFM overcomes these complications by placing the detection laser where it is sensitive piezoresponse but not electrostatics.
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Chen, Wenwen, Yongpan Tian, Chenggui Hu, Zhuo Zhao, Liang Xu, and Bihai Tong. "Theoretical and extraction studies on the selectivity of lithium with 14C4 derivatives." New Journal of Chemistry 44, no. 46 (2020): 20341–50. http://dx.doi.org/10.1039/d0nj04404k.

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Yao, Jun, Eldin Wee Chuan Lim, Chi Hwa Wang, and Ning Li. "Process Tomographic Measurements of Granular Flow in a Pneumatic Conveying System." Advanced Materials Research 508 (April 2012): 75–79. http://dx.doi.org/10.4028/www.scientific.net/amr.508.75.

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The application of process tomography (PT) technologies, i.e. Electrostatic Tomography (EST) and Electrical Capacitance Tomography (ECT) to investigate complex industrial processes has obtained wide popularity in recent years. This study focuses on the characterization of non-uniformly distributed electrostatic effects across the cross-section of a pneumatic transportpipe. A digital electrometer was used to measure the electrostatics current and an ECT was used to observe the particle distribution in a vertical pipe. Due to non-uniform particle-wall collisions, the electrostatics generated was observed to be non-uniformly distributed across the pipe cross-section, especially at pipe bends and in a vertical pipe. Large electrostatic effects were associated with high particle concentration in the pipe. There was a good correspondence between the electrostatic effects measured and particle concentration distributions obtained using ECT. Based on ECT measurements at the vertical pipe section, it was observed that particles tended to concentrate at sections where generation of electrostatic charges was high. Thus, it is clear that electrostatic effects should be the key factor giving rise to non-uniform particle concentration distribution in pneumatic transport lines.
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Martin, Lisal, Sindelka Karel, Sueha Lucie, Limpouchova Zuzana, and Prochazka Karel. "Dissipative Particle Dynamics Simulations of Polyelectrolyte Self-Assemblies. Methods with Explicit Electrostatics1, "Высокомолекулярные соединения. Серия С"." Высокомолекулярные соединения С, no. 1 (2017): 82–107. http://dx.doi.org/10.7868/s2308114717010101.

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Abstract - This feature article is addressed to a broad community of polymer scientists, both theoreticians and experimentalists. We present several examples of our dissipative particle dynamics (DPD) simulations of self- and co-assembling polyelectrolyte systems to illustrate the power of DPD. In the first part, we briefly outline basic principles of DPD. Special emphasis is placed on the incorporation of explicit electrostatic forces into DPD, on their calibration with respect to the soft repulsion forces and on the use of DPD for studying the self-assembly of electrically charged polymer systems. At present, the method with explicit electrostatics is being used in a number of studies of the behavior of single polyelectrolyte chains, their interaction with other components of the system, etc. However, in DPD studies of self-assembly, which require high numbers of chains, only a few research groups use explicit electrostatics. Most studies of polyelectrolyte self-assembly are based on the “implicit solvent ionic strength” approach, which completely ignores the long-range character of electrostatic interactions, because their evaluation complicates and considerably slows down the DPD simulation runs. We aim at the analysis of the impact of explicit electrostatics on simulation results.
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Moult, John. "Electrostatics." Current Biology 2, no. 5 (May 1992): 258. http://dx.doi.org/10.1016/0960-9822(92)90374-j.

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Dissertations / Theses on the topic "Electrostatics"

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Xin, W. (Weidong). "Continuum electrostatics of biomolecular systems." Doctoral thesis, University of Oulu, 2008. http://urn.fi/urn:isbn:9789514287602.

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Abstract Electrostatic interactions are very important in biomolecular systems. Electrostatic forces have received a great deal of attention due to their long-range nature and the trade-off between desolvation and interaction effects. It remains a challenging task to study and to predict the effects of electrostatic interactions in biomolecular systems. Computer simulation techniques that account for such interactions are an important tool for the study of biomolecular electrostatics. This study is largely concerned with the role of electrostatic interactions in biomolecular systems and with developing novel models to estimate the strength of such interactions. First, a novel formulation based upon continuum electrostatics to compute the electrostatic potential in and around two biomolecules in a solvent with ionic strength is presented. Many, if not all, current methods rely on the (non)linear Poisson-Boltzmann equation to include ionic strength. The present formulation, however, describes ionic strength through the inclusion of explicit ions, which considerably extends its applicability and validity range. The method relies on the boundary element method (BEM) and results in two very similar coupled integral equations valid on the dielectric boundaries of two molecules, respectively. This method can be employed to estimate the total electrostatic energy of two protein molecules at a given distance and orientation in an electrolyte solution with zero to moderately high ionic strength. Secondly, to be able to study interactions between biomolecules and membranes, an alternative model partly based upon the analytical continuum electrostatics (ACE) method has been also formulated. It is desirable to develop a method for calculating the total solvation free energy that includes both electrostatic and non-polar energies. The difference between this model and other continuum methods is that instead of determining the electrostatic potential, the total electrostatic energy of the system is calculated by integrating the energy density of the electrostatic field. This novel approach is employed for the calculation of the total solvation free energy of a system consisting of two solutes, one of which could be an infinite slab representing a membrane surface.
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Wong, Eric Tsz Chung. "Electrostatics in intrinsically disordered proteins." Thesis, University of British Columbia, 2012. http://hdl.handle.net/2429/43451.

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Kwok, Philip Chi Lip. "Electrostatics of aerosols for inhalation." Thesis, The University of Sydney, 2007. http://hdl.handle.net/2123/1934.

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Electrostatics of aerosols for inhalation is a relatively new research area. Charge properties of these particles are largely unknown but electrostatic forces have been proposed to potentially influence lung deposition. Investigation on the relationship between formulation and aerosol charging is required to understand the fundamental mechanisms. A modified electrical low pressure impactor was employed to measure the particles generated from metered dose inhalers and dry powder inhalers. This equipment provides detailed size and charge information of the aerosols. The particles were sized by impaction onto thirteen stages. The net charges in twelve of the size fractions were detected and recorded by sensitive electrometers. The drug deposits were quantified by chemical assay. The aerosol charge profiles of commercial metered dose inhalers were product-dependent, which was due to differences in the drug, formulation, and valve stem material. The calculated number of elementary charges per drug particle of size ≤ 6.06 μm ranged from zero to several ten thousands. The high charge levels on particles may have a potential effect on the deposition of the aerosol particles in the lung when inhaled. New plastic spacers marketed for use with metered dose inhalers were found to possess high surface charges on the internal walls, which was successfully removed by detergent-coating. Detergent-coated spacer had higher drug output than the new ones due to the reduced electrostatic particle deposition inside the spacer. Particles delivered from spacers carried lower inherent charges than those directly from metered dose inhalers. Those with higher charges might be susceptible to electrostatic forces inside the spacers and were thus retained. The electrostatic low pressure impactor was further modified to disperse two commercial Tubuhaler® products at 60 L/min. The DPIs showed drug-specific responses to particle charging at different RHs. The difference in hygroscopicity of the drugs may play a major role. A dual mechanistic charging model was proposed to explain the charging behaviours. The charge levels on drug particles delivered from these inhalers were sufficiently high to potentially affect deposition in the airways when inhaled. Drug-free metered dose inhalers containing HFA-134a and 227 produced highly variable charge profiles but on average the puffs were negatively charged, which was thought to be due to the electronegative fluorine atoms in the HFA molecules. The charges of both HFAs shifted towards neutrality or positive polarity with increasing water content. The spiked water might have increased the electrical conductivity and/or decreased the electronegativity of the bulk propellant solution. The number of elementary charges per droplet decreased with decreasing droplet size. This trend was probably due to the redistribution of charges amongst small droplets following electrostatic fission of a bigger droplet when the Raleigh limit was reached.
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Kwok, Philip Chi Lip. "Electrostatics of aerosols for inhalation." Faculty of Pharmacy, 2007. http://hdl.handle.net/2123/1934.

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PhD
Electrostatics of aerosols for inhalation is a relatively new research area. Charge properties of these particles are largely unknown but electrostatic forces have been proposed to potentially influence lung deposition. Investigation on the relationship between formulation and aerosol charging is required to understand the fundamental mechanisms. A modified electrical low pressure impactor was employed to measure the particles generated from metered dose inhalers and dry powder inhalers. This equipment provides detailed size and charge information of the aerosols. The particles were sized by impaction onto thirteen stages. The net charges in twelve of the size fractions were detected and recorded by sensitive electrometers. The drug deposits were quantified by chemical assay. The aerosol charge profiles of commercial metered dose inhalers were product-dependent, which was due to differences in the drug, formulation, and valve stem material. The calculated number of elementary charges per drug particle of size ≤ 6.06 μm ranged from zero to several ten thousands. The high charge levels on particles may have a potential effect on the deposition of the aerosol particles in the lung when inhaled. New plastic spacers marketed for use with metered dose inhalers were found to possess high surface charges on the internal walls, which was successfully removed by detergent-coating. Detergent-coated spacer had higher drug output than the new ones due to the reduced electrostatic particle deposition inside the spacer. Particles delivered from spacers carried lower inherent charges than those directly from metered dose inhalers. Those with higher charges might be susceptible to electrostatic forces inside the spacers and were thus retained. The electrostatic low pressure impactor was further modified to disperse two commercial Tubuhaler® products at 60 L/min. The DPIs showed drug-specific responses to particle charging at different RHs. The difference in hygroscopicity of the drugs may play a major role. A dual mechanistic charging model was proposed to explain the charging behaviours. The charge levels on drug particles delivered from these inhalers were sufficiently high to potentially affect deposition in the airways when inhaled. Drug-free metered dose inhalers containing HFA-134a and 227 produced highly variable charge profiles but on average the puffs were negatively charged, which was thought to be due to the electronegative fluorine atoms in the HFA molecules. The charges of both HFAs shifted towards neutrality or positive polarity with increasing water content. The spiked water might have increased the electrical conductivity and/or decreased the electronegativity of the bulk propellant solution. The number of elementary charges per droplet decreased with decreasing droplet size. This trend was probably due to the redistribution of charges amongst small droplets following electrostatic fission of a bigger droplet when the Raleigh limit was reached.
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Jovell, Megias Ferran. "Contact resistance and electrostatics of 2DFETs." Doctoral thesis, Universitat Autònoma de Barcelona, 2018. http://hdl.handle.net/10803/664041.

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Durant la darrera dècada, la popularització del grafè i altres materials de dues dimensions (2D) ha revolucionat la ciència de materials. Els nous fenòmens físics que esdevenen en aquests nous materials obren les possibilitats per a nous dispositius amb característiques extraordinàries. En el camp de l’electrònica d’alta freqüència, per alguns d'aquests dispositius s'ha predit que poden obrir el forat que hi ha actualment en el rang del terahertz. En aquesta tesis s'han fet servir diferents tècniques de simulació per estudiar diferents dispositius en l'entorn d'alta freqüència en ment. En primer lloc, un transistor d'efecte de camp compost per una mono capa de disulfit de molibdè (MoS$_2$) ha estat estudiat fent servir el model de deriva difusió. Per aprofundir en això, s'ha estudiat també una unió $p-n$ amb aquest mateix material. Malgrat que el model de deriva difusió està pensat per materials convencionals, s'ha fet servir un conjunt de paràmetres efectius per tal de reproduir les dades experimentals. Amb aquest conjunt de paràmetres, ha estat possible reproduir el corrent de sortida d'aquest transistor tot i que no el període de transició. D’altra banda, els resultats de la unió $p-n$ han estat molt valuosos per a l'estudi de la zona de depleció. Un dels obstacles a superar per poder poder utilitzar grafè i altres materials 2D en aplicacions d'alta freqüència, per tal de no comprometre el rendiment d'aquests dispositius, és el d'obtenir una resistència de contact (R$_c$) prou baixa. En aquesta tesi, s'ha proposat d'afegir una capa intermèdia de grafit entre el contacte metàl·lic i el canal de grafè per tal de reduir la resistència de contacte per sota dels 100 $\Omega\cdot\mu$m que sovint es cita com el límit del qual pot limitar el rendiment dels transistors d'efecte de camp. Un contacte de tipus ``top'' s'ha fet servir per a l'estructura de grafit-grafè que és molt convenient per simulacions de transport balístic mitjançant la teoria de la densitat del funcional juntament amb la teoria del no equilibri de green per a calcular aquesta resistència. En particular, s'han simulat diverses longituds de superposició del grafè sobre el contacte de grafit per tal d'estudiar-ne el seu efecte. S'ha observat que per a concentracions de portadors intrínseques, la resistència de contacte és molt alta, però per a làmines de grafè dopades, aquesta resistència decau per sota del límit citat. Per tal d'avaluar aquests resultats, s'ha estudiat el camí de corrent mitjançant el formalisme d’autocanals. Aquesta anàlisi demostra que la transferència d'electrons es duu a terme mitjançant l'àrea de solapament en comptes de la vora. El cas de vora també ha estat considerat com a referència per ser el cas límit. S'ha conclòs que una capa de grafit abans de la capa de grafè és viable per tal de reduir la resistència de contacte en els contactes metall-grafè. Finalment, per tal d'entendre amb profunditat alguns dels resultats experimentals pel què fa a la resistència de contacte entre un metall i el grafè, l'objectiu és de generar estructures realistes mitjançant la dinànima molecular. Per a tal fi, el primer pas és el de parametritzar l'enllaç metall-carboni. El potencial d'odre d'enllaç fou escollit ja que és el potencial indicat per descriure aquesta mena d'enllaços covalents. Les interaccions metall-metall foren descrites pel potencial d'àtom incrustat, i la l'enllaç carboni-carboni pel potencial de Tersoff. El potencial de l'ordre d'enllaç està caracteritzat per un conjunt de deu paràmetres que descriuen les característiques de l'enllaç com són la distància d'equilibri o l'energia d'enllaç, entre altres. Mitjançant l'algorisme de Monte Carlo temperat paral·lel, s'ha pogut obtenir un conjunt de paràmetres per a la interacció Pd-C i Ni-C.
In the last decade, the rise of graphene and other 2-dimensional materials revolutionized materials science. The new physics brought by these new materials opened up the possibilities of new devices with outstanding characteristics. In the field of radiofrequency electronics, some of these devices are predicted to bridge the terahertz gap in the frequency spectrum. In this thesis, several simulation techniques have been employed to study different devices with this long term goal in mind. In first place, a single-layer molybdenum disulfide (MoS$_2$) field effect transistor (FET) has been studied using the drift-diffusion model. To delve deeper into this, a MoS$_2$ $p-n$ junction has also been studied in this framework. Even though the drift-diffusion model is suited for bulk materials, a set of effective parameters was found. With it, it has been possible to reproduce the on-current of experimental data of the single-layer MoS$_2$ FET, but not the subthreshold swing. On the other hand, the MoS$_2$ $p-n$ junction yielded valuable results for the study of the depletion region. One of the hurdles that must be overcome in order to harness the possibilities of graphene and other 2D materials so that the performance of high frequency devices is not compromised is to achieve a low enough contact resistance (R$_c$) between the metal contact and the channel. In this thesis, an intermediate graphite layer between the metal contact and the graphene layer is proposed in order to achieve the 100 $\Omega\cdot\mu$m mark that is often quoted to be the upper limit for $R_c$ not to be the limiting factor. A graphite-graphene top contact structure is proposed and studied under ballistic transport by density functional theory (DFT) and Non-Equilibrium Green's Function Theory (NEGF) to calculate the contact resistance. In particular, several overlap amounts between graphene over the graphite bulk were studied. The results obtained are very promising for doped samples of graphene. To assess these results, a current path analysis was conducted using the eigenchannel formalism. This analysis showed that the transfer of electrons was done through the area of contact instead of an edge. It was concluded that graphite was a suitable buffer to reduce R$_c$ for metal-graphene contacts. Finally, in order to understand better some of the experimental results in the contact resistance of metal-graphene contacts, the objective was to generate realistic atomic configurations using Molecular Dynamics. For that, a first step is to parametrize the metal-carbon interactions. The bond order potential (BOP) force field was chosen for this as it is a force field that can accurately describe the metal-carbon covalent bond. The metal-metal bond is described using the embeded atom potential (EAM) and the carbon-carbon interaction, by the Tersoff force field. The BOP force field has a ten parameter set that describe the characteristics of the bond: equilibirum distance, bond energy, etc. Using Parallel Tempering Monte Carlo (PTMC) optimisation algorithm trained from first principles calculations of small metal particles on top of a graphene sheet, a set of parameters for the BOP force field was obtained for the Pd-C and Ni-C pairs.
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Shipway, Jennifer Mary. "Coiled coils : electrostatics & macromolecular assemblies." Thesis, University of Sussex, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.250122.

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The coiled coil is a common and well-studied protein-folding motif. It is based on the seven-residue repeat abcdefg, where a and d residues are largely hydrophobic. Structurally, coiled coils comprise two or more a-helices that are brought together with the a and d residues packing in a well-defined manner to form a hydrophobic core. Interhelical electrostatic interactions are frequently observed between core-flanking g and e residues. There is debate as to whether these interactions are present solely to confer specificity, or whether they also have a role in stabilising the structures. A program, TRAWLER, was written to analyse the core-flanking interactions in a set of high-resolution structural data, and designed proteins were used to investigate the role of these interactions further. It is shown that the electrostatic interactions are stabilising in comparison to a state where the charged residues are present but not interacting. The strength of this stabilisation is strongly context dependent: pairs containing glutamic acid and lysine are more stabilising when the glutamic acid is placed at g and the lysine at e. It is proposed that this is due to the packing of these residues against the surface presented by the core a and d residues. It is noted that previous studies using different a residues in the core exhibit the opposite preference. Further designs include a histidine-based switch and a series of bi-faceted coiled coils. In the latter, coiled-coil repeats were overlaid within a sequence to produce two oligomerisation interfaces. Such sequences are seen in natural a-sheet and a-cylinder structures. Designed peptides were intended to form vertically staggered a-cylinders, leading to the formation of elongated nanotubes. The behaviours of these peptides are presented and the difficulties inherent in such designs are discussed.
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Houldershaw, David. "The electrostatics of iron binding to transferrin." Thesis, Birkbeck (University of London), 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.244463.

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Wang, Nuo. "Computational Studies on Biomolecular Diffusion and Electrostatics." Thesis, University of California, San Diego, 2015. http://pqdtopen.proquest.com/#viewpdf?dispub=3731932.

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As human understandings of physics, chemistry and biology converge and the development of computers proceeds, computational chemistry or computational biophysics has become a substantial field of research. It serves to explore the fundamentals of life and also has extended applications in the field of medicine. Among the many aspects of computational chemistry, this Ph. D. work focuses on the numerical methods for studying diffusion and electrostatics of biomolecules at the nanoscale. Diffusion and electrostatics are two independent subjects in terms of their physics, but closely related in applications. In living cells, the mechanism of diffusion powers a ligand to move towards its binding target. And electrostatic forces between the ligand and the target or the ligand and the environment guide the direction of the diffusion, the correct binding orientation and, together with other molecular forces, ensure the stability of the bound complex. More abstractly, diffusion describes the stochastic manner biomolecules move on their energy landscape and electrostatic forces are a major contributor to the shape of the energy landscape. This Ph. D. work aims to acquire a good understanding of both biomolecular diffusion and electrostatics and how the two are used together in numerical calculations. Three projects are presented. The first project is a proof of concept of the bead-model approach to calculate the diffusion tensor. The second project is the benchmark for a new electrostatics method, the size-modified Poisson-Boltzmann equation. The third project is an application that combines diffusion and electrostatics to calculate the substrate channeling efficiency between the human thymidylate synthase and dihydrofolate reductase.

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Loggenberg, Ernest Wilfred. "Teaching and learning electrostatics using everyday knowledge, indigenous knowledge and scientific argumentation." Thesis, Nelson Mandela Metropolitan University, 2012. http://hdl.handle.net/10948/d1008412.

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South African School Curriculum, calls for the integration of IKS within school science (Department of Education, 2006, Department of Basic Education, 2011). Lightning is an area of high interest in the Eastern Cape and is used as the topic in this study which focuses on the integration of indigenous knowledge systems in science education. The study investigated the impact of an intervention strategy framed around the use of scientific argumentation and the integration of everyday knowledge and indigenous knowledge systems (IKS) into the teaching of electrostatics at Grade Ten level. The impact focused on the teachers’ ability to implement the strategy, the electrostatics knowledge gained by learners, the learners’ argumentation ability, and the motivational and confidence levels of both teachers and learners. The sample comprised eight schools (the science teachers and their Grade Ten Physical Science learners) in the Uitenhage District of Education of the Eastern Cape Province of South Africa. Qualitative data were generated via interviews, classroom observations, pre- and post test questionnaires with open-ended questions to evoke meaningful responses that could not be anticipated by the research, and argumentation writing frames for both teachers and learners. Limited quantitative data were generated via the argumentation writing frames and the more close-ended questionnaire questions. The findings of the teacher and learner argumentation frames and the teacher checklists which revealed that the intervention impacted positively on the teachers’ ability to integrate IKS into their teaching practice. The use indigenous knowledge as the context for argumentation appears to have been a more effective way of introducing the concept than doing so within a scientific context (which the learners found difficult). The intervention facilitated an enhanced level of understanding on lightning, and assisted with the creation of the “third space” and border crossing between IKS and western science. The individual interviews disclosed the teachers’ improved ability to integrate IKS, IKS improving the facilitation of the argumentation strategy, and their improved motivation and confidence.
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Finlayson, Samuel David. "A direct investigation of electrostatics in nonpolar colloids." Thesis, University of Bristol, 2016. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.715773.

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Books on the topic "Electrostatics"

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Jonassen, Niels. Electrostatics. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4757-1182-0.

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Jonassen, Niels. Electrostatics. Boston, MA: Springer US, 2002. http://dx.doi.org/10.1007/978-1-4615-1073-4.

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Brewster, Hilary D. Electrostatics. Jaipur, India: Oxford Book Co., 2009.

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Jonassen, Niels. Electrostatics. Boston, MA: Springer US, 2002.

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Jonassen, Niels. Electrostatics. Boston, MA: Springer US, 1998.

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Jonassen, Niels Jonassen/ Niels. Electrostatics. New York: Chapman & Hall, 1998.

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Galembeck, Fernando, and Thiago A. L. Burgo. Chemical Electrostatics. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-52374-3.

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Wåhlin, Lars. Atmospheric electrostatics. Letchworth, Herts., England: Research Studies Press, 1986.

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Takács, J. Energy stabilization of electrostatic accelerators. Chichester: John Wiley & Sons, 1997.

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Chubb, John. An introduction to electrostatic measurements. Hauppauge, N.Y: Nova Science Publishers, 2009.

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Book chapters on the topic "Electrostatics"

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Jonassen, Niels. "Introduction." In Electrostatics, 1–3. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4757-1182-0_1.

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Jonassen, Niels. "Fundamental Concepts." In Electrostatics, 4–47. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4757-1182-0_2.

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Jonassen, Niels. "Static Electrification." In Electrostatics, 48–58. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4757-1182-0_3.

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Jonassen, Niels. "Static Electric Effects." In Electrostatics, 59–75. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4757-1182-0_4.

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Jonassen, Niels. "Abatement of Static Electricity." In Electrostatics, 76–94. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4757-1182-0_5.

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Jonassen, Niels. "Static Electric Measurements." In Electrostatics, 95–113. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4757-1182-0_6.

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Jonassen, Niels. "Static Electricity and People." In Electrostatics, 114–18. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4757-1182-0_7.

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Jonassen, Niels. "Applications of Static Electricity." In Electrostatics, 119–32. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4757-1182-0_8.

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Jonassen, Niels. "Introduction." In Electrostatics, 1–2. Boston, MA: Springer US, 2002. http://dx.doi.org/10.1007/978-1-4615-1073-4_1.

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Jonassen, Niels. "Applications of Static Electricity." In Electrostatics, 151–66. Boston, MA: Springer US, 2002. http://dx.doi.org/10.1007/978-1-4615-1073-4_10.

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Conference papers on the topic "Electrostatics"

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Das, Shankhadeep, Sanjay R. Mathur, and Jayathi Y. Murthy. "An Unstructured Finite Volume Method for Structure-Electrostatics Interaction in MEMS." In ASME 2010 International Mechanical Engineering Congress and Exposition. ASMEDC, 2010. http://dx.doi.org/10.1115/imece2010-40036.

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Radio-frequency microelectromechanical systems (RF MEMS) are widely used for contact actuators and capacitative switches, and involve metal-dielectric contact. Proper understanding of structure-electrostatics interaction is necessary to prevent failure of these systems. In these devices, the structure is activated by an electrostatic force, whose magnitude changes as the gap closes. Accurate modeling of fluid-structure-electrostatics interaction is important to determine device dynamical behavior, and ultimately, device lifetime. It is advantageous to model fluid and structural mechanics and electrostatics within a single comprehensive numerical framework to facilitate coupling between them. In this paper, we extend a cell-based finite volume approach popularly used to simulate fluid flow to characterize structure-electrostatics interactions. The method employs fully-implicit second order finite volume discretization of the integral conservation equations governing elastic solid mechanics and electrostatics, and uses arbitrary convex polyhedral meshes. The electrostatic actuation is treated as a surface force, and is directly added to the force balance for the control volume. The resulting set of algebraic equations is solved using a biconjugate gradient stabilized (BCGSTAB) solver. Results are presented in this paper for a fixed-fixed beam under electrostatic actuation.
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Wallace, John P., and Michael J. Wallace. "Electrostatics." In SCIENCE AND TECHNOLOGY OF INGOT NIOBIUM FOR SUPERCONDUCTING RADIO FREQUENCY APPLICATIONS. AIP Publishing LLC, 2015. http://dx.doi.org/10.1063/1.4935330.

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Mathur, Sanjay, Lin Sun, Shankhadeep Das, and Jayathi Y. Murthy. "Application of Immersed Boundary Method to Fluid, Structure and Electrostatics Interaction in MEMS." In ASME 2011 International Mechanical Engineering Congress and Exposition. ASMEDC, 2011. http://dx.doi.org/10.1115/imece2011-62314.

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A comprehensive computational model is developed to study the dynamics of electrostatically-actuated micro-electromechanical system (MEMS) switches. The operation of the device involves a thin metal membrane in repeated contact with a substrate. The membrane is driven by an electrostatic force and is damped by the surrounding gas.. The coupled interaction of structure response, fluid dynamics and electrostatics must thus be solved. A unified computational framework based on the finite volume method (FVM) is developed to account for these mechanisms. The coupling between fluid, structure and electrostatics is achieved by employing the immersed boundary method (IBM). The advantage of the method is that it allows the fluid flow and electrostatics to be computed on a fixed background mesh while the solid body moves across it. Thus the effort of re-meshing is avoided, and the method potentially allows the simulation to proceed all the way to contact. A novel cell-marking scheme is applied to distinguish the solid region, fluid region and the immersed boundary (IB) region (i.e., the fluid and solid interface). Two-way interpolation is conducted on the IB region, allowing information exchange between fluid and solid. This includes the transfer of fluid and electrostatic forces to the solid surface and the solid position and velocity back to the fluid and electrostatics solution. A series of verification tests are carried out to establish the accuracy and performance of the method. The pull-in behavior of a cantilever switch and a frogleg device are predicted by the simulation.
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Rodger, D. "Finite elements for electrostatics." In IEE Colloquium on Computation in Electrostatics. IEE, 1995. http://dx.doi.org/10.1049/ic:19950074.

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Náray-Szabó, G. "Electrostatics in molecular phenomena." In The first European conference on computational chemistry (E.C.C.C.1). AIP, 1995. http://dx.doi.org/10.1063/1.47750.

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Lait, Jeff. "Divergence projection with electrostatics." In SIGGRAPH '18: Special Interest Group on Computer Graphics and Interactive Techniques Conference. New York, NY, USA: ACM, 2018. http://dx.doi.org/10.1145/3214745.3214752.

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Matsusaka, Prof Shuji. "Electrostatics and Particle Technology." In 5th Asian Particle Technology Symposium. Singapore: Research Publishing Services, 2012. http://dx.doi.org/10.3850/978-981-07-2518-1_237.

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Sarkar, Saurabh, and Bodhisattwa Chaudhuri. "Electrostatics effects in granular materials." In POWDERS AND GRAINS 2013: Proceedings of the 7th International Conference on Micromechanics of Granular Media. AIP, 2013. http://dx.doi.org/10.1063/1.4811881.

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Zebrev, G. I. "Graphene nanoelectronics: electrostatics and kinetics." In SPIE Proceedings, edited by Kamil A. Valiev and Alexander A. Orlikovsky. SPIE, 2008. http://dx.doi.org/10.1117/12.802412.

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Danicki, Eugene J. "Electrostatics of Apodized Saw Transducers." In 2006 International Conference on Microwaves, Radar & Wireless Communications. IEEE, 2006. http://dx.doi.org/10.1109/mikon.2006.4345303.

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Reports on the topic "Electrostatics"

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Law, Edward, Samuel Gan-Mor, Hazel Wetzstein, and Dan Eisikowitch. Electrostatic Processes Underlying Natural and Mechanized Transfer of Pollen. United States Department of Agriculture, May 1998. http://dx.doi.org/10.32747/1998.7613035.bard.

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The project objective was to more fully understand how the motion of pollen grains may be controlled by electrostatic forces, and to develop a reliable mechanized pollination system based upon sound electrostatic and aerodynamic principles. Theoretical and experimental analyses and computer simulation methods which investigated electrostatic aspects of natural pollen transfer by insects found that: a) actively flying honeybees accumulate ~ 23 pC average charge (93 pC max.) which elevates their bodies to ~ 47 V likely by triboelectrification, inducing ~ 10 fC of opposite charge onto nearby pollen grains, and overcoming their typically 0.3-3.9 nN detachment force resulting in non-contact electrostatic pollen transfer across a 5 mm or greater air gap from anther-to-bee, thus providing a theoretical basis for earlier experimental observations and "buzz pollination" events; b) charge-relaxation characteristics measured for flower structural components (viz., 3 ns and 25 ns time constants, respectively, for the stigma-style vs. waxy petal surfaces) ensure them to be electrically appropriate targets for electrodeposition of charged pollen grains but not differing sufficiently to facilitate electrodynamic focusing onto the stigma; c) conventional electrostatic focusing beneficially concentrates pollen-deposition electric fields onto the pistill tip by 3-fold as compared to that onto underlying flower structures; and d) pollen viability is adequately maintained following exposure to particulate charging/management fields exceeding 2 MV/m. Laboratory- and field-scale processes/prototype machines for electrostatic application of pollen were successfully developed to dispense pollen in both a dry-powder phase and in a liquid-carried phase utilizing corona, triboelectric, and induction particulate-charging methods; pollen-charge levels attained (~ 1-10 mC/kg) provide pollen-deposition forces 10-, 77-, and 100-fold greater than gravity, respectively, for such charged pollen grains subjected to a 1 kV/cm electric field. Lab and field evaluations have documented charged vs. ukncharged pollen deposition to be significantly (a = 0.01-0.05) increased by 3.9-5.6 times. Orchard trials showed initial fruit set on branches individually treated with electrostatically applied pollen to typically increase up to ~ 2-fold vs. uncharged pollen applications; however, whole-tree applications have not significantly shown similar levels of benefit and corrective measures continue. Project results thus contribute important basic knowledge and applied electrostatics technology which will provide agriculture with alternative/supplemental mechanized pollination systems as tranditional pollen-transfer vectors are further endangered by natural and man-fade factors.
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Rioux, Robert M. Influence of Multi-Valency, Electrostatics and Molecular Recognition on the Adsorption of Transition Metal Complexes on Metal Oxides: A Molecular Approach to Catalyst Synthesis. Office of Scientific and Technical Information (OSTI), March 2017. http://dx.doi.org/10.2172/1349267.

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Domitrovic, Ron, Matt Robinson, Nick Lavrik, and Frank Van Swol. Electrostatic Dehumidification. Office of Scientific and Technical Information (OSTI), September 2023. http://dx.doi.org/10.2172/2204034.

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Meyer, L. Electrostatic curtain studies. Office of Scientific and Technical Information (OSTI), May 1992. http://dx.doi.org/10.2172/7309907.

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Elias, Luis R., and Gerald Ramian. Recirculating Electrostatic Accelerators. Fort Belvoir, VA: Defense Technical Information Center, September 1985. http://dx.doi.org/10.21236/ada221740.

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Watson, Scott, Mary Winch, Eric Sorensen, Richard Romero, Lauren Misurek, David Platts, and Patrick McEliggot. PHOENIX Electrostatic Design. Office of Scientific and Technical Information (OSTI), September 2021. http://dx.doi.org/10.2172/1823724.

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D. Lingquist, K. B. Tennal, and M. K. Mazumder. Electrostatic Beneficiation of Coal. Office of Scientific and Technical Information (OSTI), April 1995. http://dx.doi.org/10.2172/999.

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D. Lindquist, K. B. Tennal, and M. K. Mazumder. Electrostatic Beneficiation of Coal. Office of Scientific and Technical Information (OSTI), October 1998. http://dx.doi.org/10.2172/1302.

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Quimby, J. Testing of electrostatic agglomerator. Office of Scientific and Technical Information (OSTI), January 1988. http://dx.doi.org/10.2172/6562038.

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Meyer, L. C. Engineering scale electrostatic enclosure demonstration. Office of Scientific and Technical Information (OSTI), September 1993. http://dx.doi.org/10.2172/10145848.

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