<i>In silico</i> screening of nanoporous materials for urea removal in hemodialysis applications-Reference-Cited by-同舟云学术

In silico screening of nanoporous materials for urea removal in hemodialysis applications

Published:2023 Issue:35 Volume:25 Page:24069-24080
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fabiani Thomas¹,Ricci Eleonora²^ORCID,Boi Cristiana²^ORCID,Dimartino Simone³^ORCID,De Angelis Maria Grazia¹^ORCID

Affiliation:

1. Institute for Materials and Processes, School of Engineering, University of Edinburgh, Sanderson Building, Robert Stevenson Road, EH9 3FB, Edinburgh, Scotland, UK

2. Department of Civil, Chemical, Environmental and Materials Engineering, University of Bologna, Via Terracini 28, 40131 Bologna (BO), Italy

3. Institute for Bioengineering, School of Engineering, University of Edinburgh, King's Buildings Colin Maclaurin Road, EH9 3DW, Edinburgh, Scotland, UK

Abstract

A molecular computational pipeline is designed to screen 560 porous crystals for urea removal from water to build a wearable artificial kidney. Calculations indicate that COFs functionalised with fluorine are the best candidates.

Funder

Kidney Research UK

Royal Society of Edinburgh

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP01510F

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