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Journal articles on the topic 'Electrostatics'

To see the other types of publications on this topic, follow the link: Electrostatics.

Author: Grafiati

Published: 4 June 2021

Last updated: 31 July 2024

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1

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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2

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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3

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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4

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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5

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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6

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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7

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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8

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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9

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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10

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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11

Moult, John. "Electrostatics." Current Opinion in Structural Biology 2, no. 2 (April 1992): 223–29. http://dx.doi.org/10.1016/0959-440x(92)90150-6.

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12

Votapka, Lane W., Luke Czapla, Maxim Zhenirovskyy, and Rommie E. Amaro. "DelEnsembleElec: Computing Ensemble-Averaged Electrostatics Using DelPhi." Communications in Computational Physics 13, no. 1 (January 2013): 256–68. http://dx.doi.org/10.4208/cicp.170711.111111s.

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AbstractA new VMD plugin that interfaces with DelPhi to provide ensemble-averaged electrostatic calculations using the Poisson-Boltzmann equation is presented. The general theory and context of this approach are discussed, and examples of the plugin interface and calculations are presented. This new tool is applied to systems of current biological interest, obtaining the ensemble-averaged electrostatic properties of the two major influenza virus glycoproteins, hemagglutinin and neuraminidase, from explicitly solvated all-atom molecular dynamics trajectories. The differences between the ensemble-averaged electrostatics and those obtained from a single structure are examined in detail for these examples, revealing how the plugin can be a powerful tool in facilitating the modeling of electrostatic interactions in biological systems.

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13

OSYPOV, ALEXANDER A., GLEB G. KRUTININ, EUGENIA A. KRUTININA, and SVETLANA G. KAMZOLOVA. "DEPPDB — DNA ELECTROSTATIC POTENTIAL PROPERTIES DATABASE: ELECTROSTATIC PROPERTIES OF GENOME DNA ELEMENTS." Journal of Bioinformatics and Computational Biology 10, no. 02 (April 2012): 1241004. http://dx.doi.org/10.1142/s0219720012410041.

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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.

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14

Петрин, А. Б. "Развитие и обобщение метода отражений в задачах электростатики и теплопроводности плоскослоистых сред." Журнал технической физики 93, no. 3 (2023): 318. http://dx.doi.org/10.21883/jtf.2023.03.54842.251-22.

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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.

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15

Pan, Xiaoliang, Edina Rosta, and Yihan Shao. "Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations." Molecules 23, no. 10 (September 29, 2018): 2500. http://dx.doi.org/10.3390/molecules23102500.

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In QM/MM calculations, it is essential to handle electrostatic interactions between the QM and MM subsystems accurately and efficiently. To achieve maximal efficiency, it is convenient to adopt a hybrid scheme, where the QM electron density is used explicitly in the evaluation of short-range QM/MM electrostatic interactions, while a multipolar representation for the QM electron density is employed to account for the long-range QM/MM electrostatic interactions. In order to avoid energy discontinuity at the cutoffs, which separate the short- and long-range QM/MM electrostatic interactions, a switching function should be utilized to ensure a smooth potential energy surface. In this study, we benchmarked the accuracy of such hybrid embedding schemes for QM/MM electrostatic interactions using different multipolar representations, switching functions and cutoff distances. For test systems (neutral and anionic oxyluciferin in MM (aqueous and enzyme) environments), the best accuracy was acquired with a combination of QM electrostatic potential (ESP) charges and dipoles and two switching functions (long-range electrostatic corrections (LREC) and Switch) in the treatment of long-range QM/MM electrostatics. It allowed us to apply a 10Å distance cutoff and still obtain QM/MM electrostatics/polarization energies within 0.1 kcal/mol and time-dependent density functional theory (TDDFT)/MM vertical excitation energies within 10−3 eV from theoretical reference values.

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16

WANG, ZHEN-GANG. "VARIATIONAL ELECTROSTATICS FOR CHARGE SOLVATION." Journal of Theoretical and Computational Chemistry 07, no. 03 (June 2008): 397–419. http://dx.doi.org/10.1142/s0219633608003824.

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We show that the equations of continuum electrostatics can be obtained entirely and simply from a variational free energy comprising the Coulomb interactions among all charged species and a spring-like term for the polarization of the dielectric medium. In this formulation, the Poisson equation, the constitutive relationship between polarization and the electric field, as well as the boundary conditions across discontinuous dielectric boundaries, are all natural consequences of the extremization of the free energy functional. This formulation thus treats the electrostatic equations and the energetics within a single unified framework, avoiding some of the pitfalls in the study of electrostatic problems. Application of this formalism to the nonequilbrium solvation free energy in electron transfer is illustrated. Our calculation reaffirms the well-known result of Marcus. We address the recent criticisms by Li and coworkers who claim that the Marcus result is incorrect, and expose some key mistakes in their approach.

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17

Zhang, Linyi, Xi Chen, Pengfei Li, Chuang Wang, and Mengxuan Li. "A Method for Measuring the Height of Hand Movements Based on a Planar Array of Electrostatic Induction Electrodes." Sensors 20, no. 10 (May 22, 2020): 2943. http://dx.doi.org/10.3390/s20102943.

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This paper proposes a method based on a planar array of electrostatic induction electrodes, which uses human body electrostatics to measure the height of hand movements. The human body is electrostatically charged for a variety of reasons. In the process of a hand movement, the change of a human body’s electric field is captured through the electrostatic sensors connected to the electrode array. A measurement algorithm for the height of hand movements is used to measure the height of hand movements after the direction of it has been obtained. Compared with the tridimensional array, the planar array has the advantages of less space and easy deployment; therefore, it is more widely used. In this paper, a human hand movement sensing system based on human body electrostatics was established to perform verification experiments. The results show that this method can measure the height of hand movements with good accuracy to meet the requirements of non-contact human-computer interactions.

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18

Amann, George. "“Crying” electrostatics." Physics Teacher 37, no. 1 (January 1999): 10. http://dx.doi.org/10.1119/1.880139.

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19

Cardamone, Salvatore, Timothy J. Hughes, and Paul L. A. Popelier. "Multipolar electrostatics." Physical Chemistry Chemical Physics 16, no. 22 (2014): 10367. http://dx.doi.org/10.1039/c3cp54829e.

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20

Matthews, J. "Electrostatics 2015." Journal of Physics: Conference Series 646 (October 26, 2015): 011001. http://dx.doi.org/10.1088/1742-6596/646/1/011001.

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21

Reboul, Jean-Michel, and Petru Notingher. "Electrostatics [Editorial]." IEEE Transactions on Dielectrics and Electrical Insulation 20, no. 5 (October 2013): 1473. http://dx.doi.org/10.1109/tdei.2013.6633672.

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22

Berquez, Laurent, and Petru Notingher. "Editorial: Electrostatics." IEEE Transactions on Dielectrics and Electrical Insulation 23, no. 2 (April 2016): 613. http://dx.doi.org/10.1109/tdei.2016.7480618.

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23

Agnel, Serge, and Petru Jr. "Electrostatics [Editorial]." IEEE Transactions on Dielectrics and Electrical Insulation 18, no. 5 (October 2011): i. http://dx.doi.org/10.1109/tdei.2011.6032801.

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24

Naray-Szabo, Gabor, and Gyorgy G. Ferenczy. "Molecular Electrostatics." Chemical Reviews 95, no. 4 (June 1995): 829–47. http://dx.doi.org/10.1021/cr00036a002.

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25

Cevc, Gregor. "Membrane electrostatics." Biochimica et Biophysica Acta (BBA) - Reviews on Biomembranes 1031, no. 3 (October 1990): 311–82. http://dx.doi.org/10.1016/0304-4157(90)90015-5.

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26

Castle, G. S. P. "Electrostatics society of America 1992 conference on electrostatics." Journal of Electrostatics 28, no. 3 (September 1992): 317–18. http://dx.doi.org/10.1016/0304-3886(92)90080-d.

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27

Righetto, Irene, and Francesco Filippini. "Pandemic Avian Influenza and Intra/Interhaemagglutinin Subtype Electrostatic Variation among Viruses Isolated from Avian, Mammalian, and Human Hosts." BioMed Research International 2018 (2018): 1–10. http://dx.doi.org/10.1155/2018/3870508.

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Host jump can result in deadly pandemic events when avian influenza A viruses broaden their host specificity and become able to infect mammals, including humans. Haemagglutinin—the major capsid protein in influenza A viruses—is subjected to high rate mutations, of which several occur at its “head”: the receptor-binding domain that mediates specific binding to host cell receptors. Such surface-changing mutations may lead to antigenically novel influenza A viruses hence in pandemics by host jump and in vaccine escape by antigenic drift. Changes in haemagglutinin surface electrostatics have been recently associated with antigenic drift and with clades evolution and spreading in H5N1 and H9N2 viruses. We performed a comparative analysis of haemagglutinin surface electrostatics to investigate clustering and eventual fingerprints among representative pandemic (H5 and H7) and nonpandemic (H4 and H6) avian influenza viral subtypes. We observed preferential sorting of viruses isolated from mammalian/human hosts among these electrostatic clusters of a subtype; however, sorting was not “100% specific” to the different clusters. Therefore, electrostatic fingerprints can help in understanding, but they cannot explain alone the host jumping mechanism.

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28

Greengard, Leslie, and Monique Moura. "On the numerical evaluation of electrostatic fields in composite materials." Acta Numerica 3 (January 1994): 379–410. http://dx.doi.org/10.1017/s0962492900002464.

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A classical problem in electrostatics is the determination of the effective electrical conductivity in a composite material consisting of a collection of piecewise homogeneous inclusions embedded in a uniform background. We discuss recently developed fast algorithms for the evaluation of the potential and electrostatic fields induced in multiphase composites by an applied potential, from which the desired effective properties may be easily obtained. The schemes are based on combining a suitable boundary integral equation with the Fast Multipole Method and the GMRES iterative method; the CPU time required grows linearly with the number of points in the discretization of the interface between the inclusions and the background material.A variety of other questions in electrostatics, magnetostatics and diffusion can be formulated in terms of interface problems. These include the evaluation of electrostatic fields in the presence of dielectric inclusions, the determination of magnetostatic fields in media with variable magnetic permeability, and the calculation of the effective thermal conductivity of a composite material. The methods presented here apply with minor modification to these other situations as well.

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29

Zong, Fu Jian, and Jin Ma. "The Application of MATLAB in Classical Electrostatics Boundary-Value Problems." Applied Mechanics and Materials 378 (August 2013): 602–8. http://dx.doi.org/10.4028/www.scientific.net/amm.378.602.

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In this paper we introduce the use of a computer image and the Partial Differential Equation (PDE) Toolbox in MATLAB, and discuss the electrostatic field, the potential function and the solution of the Laplace equation by separation of variables and the PDE toolbox. It is convenient to figure out the classical electrostatics problem with MATLAB.

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Hong-Zhou, Lu, Li Jia, Guo Jie, and Xu Zhen-Ming. "Electrostatics of spherical metallic particles in cylinder electrostatic separators/sizers." Journal of Physics D: Applied Physics 39, no. 18 (September 1, 2006): 4111–15. http://dx.doi.org/10.1088/0022-3727/39/18/023.

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31

Yuan, Yongna, Matthew J. L. Mills, and Paul L. A. Popelier. "Multipolar electrostatics for proteins: Atom-atom electrostatic energies in crambin." Journal of Computational Chemistry 35, no. 5 (October 29, 2013): 343–59. http://dx.doi.org/10.1002/jcc.23469.

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32

Ren, Pengyu, Jaehun Chun, Dennis G. Thomas, Michael J. Schnieders, Marcelo Marucho, Jiajing Zhang, and Nathan A. Baker. "Biomolecular electrostatics and solvation: a computational perspective." Quarterly Reviews of Biophysics 45, no. 4 (November 2012): 427–91. http://dx.doi.org/10.1017/s003358351200011x.

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AbstractAn 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.

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33

Li, Chuan, Lin Li, Marharyta Petukh, and Emil Alexov. "Progress in developing Poisson-Boltzmann equation solvers." Computational and Mathematical Biophysics 1 (March 21, 2013): 42–62. http://dx.doi.org/10.2478/mlbmb-2013-0002.

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AbstractThis review outlines the recent progress made in developing more accurate and efficient solutions to model electrostatics in systems comprised of bio-macromolecules and nanoobjects, the last one referring to objects that do not have biological function themselves but nowadays are frequently used in biophysical and medical approaches in conjunction with bio-macromolecules. The problem of modeling macromolecular electrostatics is reviewed from two different angles: as a mathematical task provided the specific definition of the system to be modeled and as a physical problem aiming to better capture the phenomena occurring in the real experiments. In addition, specific attention is paid to methods to extend the capabilities of the existing solvers to model large systems toward applications of calculations of the electrostatic potential and energies in molecular motors, mitochondria complex, photosynthetic machinery and systems involving large nanoobjects.

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Merlo, Manuele, Fabio Negretto, Monica Soncini, and Franco Maria Montevecchi. "Electrostatic Nanomechanics of Cantilever Biosensors." Materials Science Forum 539-543 (March 2007): 595–601. http://dx.doi.org/10.4028/www.scientific.net/msf.539-543.595.

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Interest in microcantilever based biosensors in the biomedical field has largely increased during the last years. Potentially, this kind of sensor can provide a considerable contribution to complex disease diagnosis, which requires the detection of biological molecules. Microcantilever biosensors allow the detection of complementary DNA fragment hybridization or specific antibody-antigen binding; it is known that adsorption of specific biological molecules upon the microcantilever surface induces cantilever deflection due to the interaction of the molecules with the surface. To date, the phenomena which determine the deflection mechanism are not completely known. The present work investigates the electrostatic field within the molecules and the forces consequently acting on the molecules and on the cantilever in order to provide a description of the deflection mechanism. The electrostatic potential of arrays of double strand DNA molecules immersed in an ionic solution was modelled by means of cylinders negatively charged at the surface and a FE (Finite Element) continuum electrostatics analysis was implemented in order to numerically solve the second order non-linear Poisson-Boltzmann equation. Then, a FE structural analysis of the cantilever was performed coupled with the continuum electrostatics analysis. In this way, the effects of the molecules’ electrostatic interactions on the cantilever deflection were taken into account. The model was run to describe the microcantilever deflection due to the electrostatic field under different design and operating conditions, and it was also set to compare hexagonal and square disposition of double strand DNA molecules.

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35

Kędzierski, Przemysław. "Mechanical Spark Electrostatic Property Testing Method." Management Systems in Production Engineering 31, no. 2 (May 3, 2023): 216–22. http://dx.doi.org/10.2478/mspe-2023-0023.

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Abstract The article describes an attempt to assess the electrostatic properties of mechanical friction-induced sparking. Such sparks are the cause of numerous accidents in hard coal mines. The article summarizes accidents in hard coal mining in Poland in recent years. In most cases, the initials were mechanical sparks. Mechanical sparks contain energy, a part of which is related to their excess electrostatic charge, whereas the other part is of a different origin (kinetic or thermal energy, for example). The article tries to estimate how much of this energy is energy impact generated by electrostatics impact. It is hard to measure the dynamic electrostatic parameters like electric charge. Authors select four measuring methods. This test methods are prepared based on authors knowledge of electrostatic parameters and European standards dedicated to measure the electrostatics parameters. These circuits were prepared for four different spark parameters. Measurement methods of electrostatic field of sparks stream are not able to measure field potential of sparks. The measuring instruments do not have such a fast response time, adequate to the speed of the sparks. Spark generation and parameter measurement experiments were performed. The only method to determine the amount of electrostatic charge on sparks is to measure the entire charge by collecting sparks at the measuring electrode. The measuring system requires that the entire stream of sparks falls on the electrode. Tested transferred electrostatic charge of stream of sparks is about 10 nC. It means that this charge can be an effective ignition source for some explosive atmospheres. Electrostatic charge with Certain methods were rejected as inadequate following result analysis. A claim for one of the methods was submitted to the Patent Office of the Republic of Poland.

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Moayedi, S. K., M. Shafabakhsh, and F. Fathi. "Analytical Calculation of Stored Electrostatic Energy per Unit Length for an Infinite Charged Line and an Infinitely Long Cylinder in the Framework of Born-Infeld Electrostatics." Advances in High Energy Physics 2015 (2015): 1–7. http://dx.doi.org/10.1155/2015/180185.

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More than 80 years ago, Born-Infeld electrodynamics was proposed in order to remove the point charge singularity in Maxwell electrodynamics. In this work, after a brief introduction to Lagrangian formulation of Abelian Born-Infeld model in the presence of an external source, we obtain the explicit forms of Gauss’s law and the energy density of an electrostatic field for Born-Infeld electrostatics. The electric field and the stored electrostatic energy per unit length for an infinite charged line and an infinitely long cylinder in Born-Infeld electrostatics are calculated. Numerical estimations in this paper show that the nonlinear corrections to Maxwell electrodynamics are considerable only for strong electric fields. We present an action functional for Abelian Born-Infeld model with an auxiliary scalar field in the presence of an external source. This action functional is a generalization of the action functional which was presented by Tseytlin in his studies on low energy dynamics ofD-branes (Nucl. Phys. B469, 51 (1996); Int. J. Mod. Phys. A 19, 3427 (2004)). Finally, we derive the symmetric energy-momentum tensor for Abelian Born-Infeld model with an auxiliary scalar field.

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Baggio, Giulia, Francesco Filippini, and Irene Righetto. "Comparative Surface Electrostatics and Normal Mode Analysis of High and Low Pathogenic H7N7 Avian Influenza Viruses." Viruses 15, no. 2 (January 21, 2023): 305. http://dx.doi.org/10.3390/v15020305.

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Influenza A viruses are rarely symptomatic in wild birds, while representing a higher threat to poultry and mammals, where they can cause a variety of symptoms, including death. H5 and H7 subtypes of influenza viruses are of particular interest because of their pathogenic potential and reported capacity to spread from poultry to mammals, including humans. The identification of molecular fingerprints for pathogenicity can help surveillance and early warning systems, which are crucial to prevention and protection from such potentially pandemic agents. In the past decade, comparative analysis of the surface features of hemagglutinin, the main protein antigen in influenza viruses, identified electrostatic fingerprints in the evolution and spreading of H5 and H9 subtypes. Electrostatic variation among viruses from avian or mammalian hosts was also associated with host jump. Recent findings of fingerprints associated with low and highly pathogenic H5N1 viruses, obtained by means of comparative electrostatics and normal modes analysis, prompted us to check whether such fingerprints can also be found in the H7 subtype. Indeed, evidence presented in this work showed that also in H7N7, hemagglutinin proteins from low and highly pathogenic strains present differences in surface electrostatics, while no meaningful variation was found in normal modes.

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38

Cross, Rod. "An electrostatics paradox." Physics Education 57, no. 2 (December 22, 2021): 023001. http://dx.doi.org/10.1088/1361-6552/ac3eb9.

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Abstract An electric charge located outside a closed metal box does not produce an electric field inside the box. On the other hand, an electric charge located inside the box can generate an electric field outside the box. A charge inside the box can therefore exert a force on a charge outside the box, but not vice-versa, in apparent contradiction of Newton’s third law.

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Amoruso, V., and F. Lattarulo. "Diakoptics for electrostatics." IEE Proceedings - Science, Measurement and Technology 141, no. 5 (September 1, 1994): 317–23. http://dx.doi.org/10.1049/ip-smt:19941070.

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Lenfestey, Mark. "Inquiry-based electrostatics." Physics Teacher 57, no. 5 (May 2019): 346–47. http://dx.doi.org/10.1119/1.5098933.

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Bracikowski, Christopher, Richard Schneider, Joseph Singley, and Russell Madara. "Faster electrostatics plots." Physics Teacher 36, no. 6 (September 1998): 323. http://dx.doi.org/10.1119/1.880088.

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42

Nityananda, R. "Electrostatics revindicated classically." Nature 318, no. 6046 (December 1985): 586. http://dx.doi.org/10.1038/318586a0.

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NITYANANDA, R. "Electrostatics revindicated … classically …" Nature 316, no. 6026 (July 25, 1985): 301. http://dx.doi.org/10.1038/316301c0.

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Matsusaka, Shuji, and Hiroaki Masuda. "Electrostatics of particles." Advanced Powder Technology 14, no. 2 (2003): 143–66. http://dx.doi.org/10.1163/156855203763593958.

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Cartwright, Paul, and Vahid Ebedat. "Electrostatics in pipes." Physics World 3, no. 8 (August 1990): 20. http://dx.doi.org/10.1088/2058-7058/3/8/19.

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Salman, Aysevil, Melike Behiye Yucel, and Afif Siddiki. "Edge electrostatics revisited." Physica E: Low-dimensional Systems and Nanostructures 47 (January 2013): 229–36. http://dx.doi.org/10.1016/j.physe.2012.10.035.

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Cohen, Joel A. "Small-Reservoir Electrostatics." Biophysical Journal 112, no. 3 (February 2017): 522a. http://dx.doi.org/10.1016/j.bpj.2016.11.2824.

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Siu, Theo, Will Pittman, Jake Cotton, and Troy Shinbrot. "Nonlinear granular electrostatics." Granular Matter 17, no. 2 (February 22, 2015): 165–75. http://dx.doi.org/10.1007/s10035-015-0550-8.

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Walls, P. H., and M. J. E. Sternberg. "Electrostatics and docking." Journal of Molecular Graphics 10, no. 1 (March 1992): 53–54. http://dx.doi.org/10.1016/0263-7855(92)80035-c.

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Gelbart, William M., Robijn F. Bruinsma, Philip A. Pincus, and V. Adrian Parsegian. "DNA‐Inspired Electrostatics." Physics Today 53, no. 9 (September 2000): 38–44. http://dx.doi.org/10.1063/1.1325230.

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