Chiral resolution via single-atom-thick membranes: A new concept demonstrated on functionalized nanoporous graphene

Andreas Hauser, Martin Head-Gordon, Alexis T. Bell, Peter Schwerdtfeger

Publikation: KonferenzbeitragAbstract

Abstract

Enantiomeric forms of a drug molecule are known to vary in potency, toxicity and effect they might have on biological systems. Therefore, drug research and development demand to have enantiomers of all bioactive molecules separated and tested. We present a new, alternative method for the separation of racemic mixtures via single-atom-thick membranes, using functionalized nanoporous graphene as a template. Computational simulations based on density functional theory show that the attachment of a suitable chiral 'bouncer' molecule to the pore rim prevents the passage of the undesired enantiomer while letting its mirror image through. In contrast to common methods such as gas chromatography, high performance liquid chromatography and capillary electrophoresis, this allows an identification of a left- or right-handed drug molecule in a single molecular event.
Originalspracheenglisch
PublikationsstatusVeröffentlicht - Aug 2014
Extern publiziertJa
Veranstaltung248th ACS National Meeting and Exposition - San Francisco, USA / Vereinigte Staaten
Dauer: 10 Apr 201414 Apr 2014
Konferenznummer: 248
http://acselb-529643017.us-west-2.elb.amazonaws.com/chem/248nm/program/divisionindex.php

Konferenz

Konferenz248th ACS National Meeting and Exposition
LandUSA / Vereinigte Staaten
OrtSan Francisco
Zeitraum10/04/1414/04/14
Internetadresse

Fields of Expertise

  • Advanced Materials Science

Dieses zitieren

Hauser, A., Head-Gordon, M., Bell, A. T., & Schwerdtfeger, P. (2014). Chiral resolution via single-atom-thick membranes: A new concept demonstrated on functionalized nanoporous graphene. Abstract von 248th ACS National Meeting and Exposition, San Francisco, USA / Vereinigte Staaten.