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Journal articles on the topic 'Electrostatics'

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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 (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 (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
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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 (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
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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 (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 electrostat
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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 diele
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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

Soler, Miguel Angel, Rayyan Bassem Adel Yakout, Ozge Ozkilinc, et al. "Bluues_cplx: Electrostatics at Protein–Protein and Protein–Ligand Interfaces." Molecules 30, no. 1 (2025): 159. https://doi.org/10.3390/molecules30010159.

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(1) Background: Electrostatics plays a capital role in protein–protein and protein–ligand interactions. Implicit solvent models are widely used to describe electrostatics and complementarity at interfaces. Electrostatic complementarity at the interface is not trivial, involving surface potentials rather than the charges of surfacial contacting atoms. (2) Results: The program bluues_cplx, here used in conjunction with the software NanoShaper to compute molecular surfaces, has been used to compute the electrostatic properties of 756 protein–protein and 189 protein–ligand complexes along with the
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9

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
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10

Martin, Lisal, Sindelka Karel, Sueha Lucie, Limpouchova Zuzana та Prochazka Karel. "Dissipative Particle Dynamics Simulations of Polyelectrolyte Self-Assemblies. Methods with Explicit Electrostatics1, "Высокомолекулярные соединения. Серия С"". Высокомолекулярные соединения С, № 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 sy
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11

Moult, John. "Electrostatics." Current Biology 2, no. 5 (1992): 258. http://dx.doi.org/10.1016/0960-9822(92)90374-j.

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12

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

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13

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 (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 ensembl
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14

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 (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
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15

Петрин, А. Б. "Развитие и обобщение метода отражений в задачах электростатики и теплопроводности плоскослоистых сред". Журнал технической физики 93, № 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 diele
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16

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 (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 swi
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17

WANG, ZHEN-GANG. "VARIATIONAL ELECTROSTATICS FOR CHARGE SOLVATION." Journal of Theoretical and Computational Chemistry 07, no. 03 (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 ene
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18

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 (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
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19

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

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20

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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21

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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22

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

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23

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

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24

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

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25

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

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26

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

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27

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

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28

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
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29

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 ti
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30

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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31

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 (2006): 4111–15. http://dx.doi.org/10.1088/0022-3727/39/18/023.

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32

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 (2013): 343–59. http://dx.doi.org/10.1002/jcc.23469.

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33

Ren, Pengyu, Jaehun Chun, Dennis G. Thomas, et al. "Biomolecular electrostatics and solvation: a computational perspective." Quarterly Reviews of Biophysics 45, no. 4 (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, enzy
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34

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 bett
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35

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 pheno
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36

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
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37

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 (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
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38

Kędzierski, Przemysław. "Mechanical Spark Electrostatic Property Testing Method." Management Systems in Production Engineering 31, no. 2 (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 elect
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39

Tamersit, Khalil. "WS2 Nanosheet-Based Ultrascaled Field-Effect Transistor for Hydrogen Gas Sensing: Addressing the Sensitivity-Downscaling Trade-Off." Sensors 24, no. 20 (2024): 6730. http://dx.doi.org/10.3390/s24206730.

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In this paper, we propose an ultrascaled WS2 field-effect transistor equipped with a Pd/Pt sensitive gate for high-performance and low-power hydrogen gas sensing applications. The proposed nanosensor is simulated by self-consistently solving a quantum transport equation with electrostatics at the ballistic limit. The gas sensing principle is based on the gas-induced change in the metal gate work function. The hydrogen gas nanosensor leverages the high sensitivity of two-dimensional WS2 to its sur-rounding electrostatic environment. The computational investigation encompasses the nanosensor’s b
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40

Cross, Rod. "An electrostatics paradox." Physics Education 57, no. 2 (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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41

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

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42

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

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43

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

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44

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

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

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46

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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47

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

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48

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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49

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

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50

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

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