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PoreDesigner for tuning solute selectivity in a robust and highly permeable outer membrane pore

Ratul Chowdhury, Tingwei Ren, Manish Shankla, Karl Decker, Matthew Grisewood, Jeevan Prabhakar, Carol Baker, John H. Golbeck, Aleksei Aksimentiev, Manish Kumar () and Costas D. Maranas ()
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Ratul Chowdhury: The Pennsylvania State University
Tingwei Ren: The Pennsylvania State University
Manish Shankla: University of Illinois at Urbana-Champaign
Karl Decker: University of Illinois at Urbana-Champaign
Matthew Grisewood: The Pennsylvania State University
Jeevan Prabhakar: The Pennsylvania State University
Carol Baker: The Pennsylvania State University
John H. Golbeck: The Pennsylvania State University
Aleksei Aksimentiev: University of Illinois at Urbana-Champaign
Manish Kumar: The Pennsylvania State University
Costas D. Maranas: The Pennsylvania State University

Nature Communications, 2018, vol. 9, issue 1, 1-10

Abstract: Abstract Monodispersed angstrom-size pores embedded in a suitable matrix are promising for highly selective membrane-based separations. They can provide substantial energy savings in water treatment and small molecule bioseparations. Such pores present as membrane proteins (chiefly aquaporin-based) are commonplace in biological membranes but difficult to implement in synthetic industrial membranes and have modest selectivity without tunable selectivity. Here we present PoreDesigner, a design workflow to redesign the robust beta-barrel Outer Membrane Protein F as a scaffold to access three specific pore designs that exclude solutes larger than sucrose (>360 Da), glucose (>180 Da), and salt (>58 Da) respectively. PoreDesigner also enables us to design any specified pore size (spanning 3–10 Å), engineer its pore profile, and chemistry. These redesigned pores may be ideal for conducting sub-nm aqueous separations with permeabilities exceeding those of classical biological water channels, aquaporins, by more than an order of magnitude at over 10 billion water molecules per channel per second.

Date: 2018
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Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:9:y:2018:i:1:d:10.1038_s41467-018-06097-1

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DOI: 10.1038/s41467-018-06097-1

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