Literature DB >> 25877554

Communication: influence of nanosecond-pulsed electric fields on water and its subsequent relaxation: dipolar effects and debunking memory.

Massimiliano Avena1, Paolo Marracino1, Micaela Liberti1, Francesca Apollonio1, Niall J English2.   

Abstract

Water has many intriguing and anomalous physical properties that have puzzled and titillated the scientific community for centuries, perhaps none more so than the proposition that water may retain some (permanent) "memory" of conditions (e.g., dilution) or electric fields to which it has been subject. Here, we have performed non-equilibrium molecular dynamics simulations of liquid water in external electric-field nanosecond pulses, at 260-310 K, and gauged significant non-thermal field effects in terms of dipolar response. Response of both system- and individual-dipoles has been investigated, and autocorrelation functions of both show more significant effects in stronger fields, with more sluggish relaxation. Crucially, we show that once the field is removed, the dipoles relax, exhibiting no memory or permanent dipolar alignment. We also quantify the time scales for system dynamical-dipolar properties to revert to zero-field equilibrium behaviour.

Entities:  

Year:  2015        PMID: 25877554     DOI: 10.1063/1.4917024

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  4 in total

1.  Geometrical Characterization of an Electropore from Water Positional Fluctuations.

Authors:  P Marracino; F Castellani; P T Vernier; M Liberti; F Apollonio
Journal:  J Membr Biol       Date:  2016-07-19       Impact factor: 1.843

2.  Nanosecond pulsed electric signals can affect electrostatic environment of proteins below the threshold of conformational effects: The case study of SOD1 with a molecular simulation study.

Authors:  Elena Della Valle; Paolo Marracino; Olga Pakhomova; Micaela Liberti; Francesca Apollonio
Journal:  PLoS One       Date:  2019-08-27       Impact factor: 3.240

3.  Human Aquaporin 4 Gating Dynamics under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics Study.

Authors:  Paolo Marracino; Micaela Liberti; Erika Trapani; Christian J Burnham; Massimiliano Avena; José-Antonio Garate; Francesca Apollonio; Niall J English
Journal:  Int J Mol Sci       Date:  2016-07-14       Impact factor: 5.923

4.  Investigation of Dipolar Response of the Hydrated Hen-Egg White Lysozyme Complex under Externally Applied Electric Fields: Insights from Non-equilibrium Molecular Dynamics.

Authors:  HaoLun Wu; Mohammad Reza Ghaani; Prithwish K Nandi; Niall J English
Journal:  J Phys Chem B       Date:  2022-01-21       Impact factor: 2.991

  4 in total

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