Controlling ionic conductivity through transprotein electropores in human aquaporin 4: a non-equilibrium molecular-dynamics study
Literature Information
Mario Bernardi, Paolo Marracino, Micaela Liberti, José-Antonio Gárate, Christian J. Burnham, Francesca Apollonio, Niall J. English
Electroporation is a matter of intensive ongoing research interest, and a much-neglected topic in trans-membrane proteins, particularly in view of such promising potential applications in medicine and biotechnology. In particular, selected such novel and exciting applications are predicated on controlling ionic conductivity through electro-pores. Here, we scrutinise the mechanisms of ions’ electric conductivity, by means of structural rearrangements, through quasi-stable electro-pores through human-AQP4 as a well-representative prototype of trans-membrane ionic conduction, achieving exquisite control over ionic permeability manipulated by the application of intense static electric fields.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.












![Disodium (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfonatomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate structure Disodium (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfonatomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate structure](https://static.chemtradehub.com/structs/612/61270-78-8-6b58.webp)
![(1S,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol structure (1S,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol structure](https://static.chemtradehub.com/structs/464/464-45-9-f88b.webp)
![(4R,5S,6S)-3-({(3S,5S)-5-[(3-Carboxyphenyl)carbamoyl]-3-pyrrolidinyl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid structure (4R,5S,6S)-3-({(3S,5S)-5-[(3-Carboxyphenyl)carbamoyl]-3-pyrrolidinyl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid structure](https://static.chemtradehub.com/structs/153/153832-46-3-b2e0.webp)