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Chowdhury, Ratul ; Ren, Tingwei ; Shankla, Manish ; Decker, Karl ; Grisewood, Matthew ; Prabhakar, Jeevan ; Baker, Carol ; Golbeck, John H. ; Aksimentiev, Aleksei ; Kumar, Manish ; et al ( , Nature Communications)
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.
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Grisewood, Matthew J. ; Hernández-Lozada, Néstor J. ; Thoden, James B. ; Gifford, Nathanael P. ; Mendez-Perez, Daniel ; Schoenberger, Haley A. ; Allan, Matthew F. ; Floy, Martha E. ; Lai, Rung-Yi ; Holden, Hazel M. ; et al ( , ACS Catalysis)