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

Research output: Contribution to conferenceAbstractResearchpeer-review

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.
Original languageEnglish
Publication statusPublished - Aug 2014
Externally publishedYes
Event248th ACS National Meeting and Exposition - San Francisco, United States
Duration: 10 Apr 201414 Apr 2014
Conference number: 248
http://acselb-529643017.us-west-2.elb.amazonaws.com/chem/248nm/program/divisionindex.php

Conference

Conference248th ACS National Meeting and Exposition
CountryUnited States
CitySan Francisco
Period10/04/1414/04/14
Internet address

Fields of Expertise

  • Advanced Materials Science

Cite this

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 from 248th ACS National Meeting and Exposition, San Francisco, United States.

Chiral resolution via single-atom-thick membranes: A new concept demonstrated on functionalized nanoporous graphene. / Hauser, Andreas; Head-Gordon, Martin; Bell, Alexis T.; Schwerdtfeger, Peter.

2014. Abstract from 248th ACS National Meeting and Exposition, San Francisco, United States.

Research output: Contribution to conferenceAbstractResearchpeer-review

Hauser, A, Head-Gordon, M, Bell, AT & Schwerdtfeger, P 2014, 'Chiral resolution via single-atom-thick membranes: A new concept demonstrated on functionalized nanoporous graphene' 248th ACS National Meeting and Exposition, San Francisco, United States, 10/04/14 - 14/04/14, .
Hauser A, Head-Gordon M, Bell AT, Schwerdtfeger P. Chiral resolution via single-atom-thick membranes: A new concept demonstrated on functionalized nanoporous graphene. 2014. Abstract from 248th ACS National Meeting and Exposition, San Francisco, United States.
Hauser, Andreas ; Head-Gordon, Martin ; Bell, Alexis T. ; Schwerdtfeger, Peter. / Chiral resolution via single-atom-thick membranes: A new concept demonstrated on functionalized nanoporous graphene. Abstract from 248th ACS National Meeting and Exposition, San Francisco, United States.
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