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Identification of organophosphorus simulants for the development of next-generation detection technologies

Ellaby, Rebecca J., Clark, Ewan R., Allen, Nyasha, Taylor, Faith, Ng, Kendrick K. L., Dimitrovski, Milan, Chu, Dominique, Mulvihill, Daniel P., Hiscock, Jennifer R. (2021) Identification of organophosphorus simulants for the development of next-generation detection technologies. Organic and Biomolecular Chemistry, 19 . pp. 2008-2014. ISSN 1477-0520. (doi:10.1039/D0OB02523B) (KAR id:85937)

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http://dx.doi.org/10.1039/D0OB02523B

Abstract

Organophosphorus (OP) chemical warfare agents (CWAs) represent an ongoing threat but the understandable widespread prohibition of their use places limitations on the development of technologies to counter the effects of any OP CWA release. Herein, we describe new, accessible methods for the identification of appropriate molecular simulants to mimic the hydrogen bond accepting capacity of the P[double bond, length as m-dash]O moiety, common to every member of this class of CWAs. Using the predictive methodologies developed herein, we have identified OP CWA hydrogen bond acceptor simulants for soman and sarin. It is hoped that the effective use of these physical property specific simulants will aid future countermeasure developments.

Item Type: Article
DOI/Identification number: 10.1039/D0OB02523B
Subjects: Q Science
Q Science > QD Chemistry > QD431 Organic Chemistry- Biochemistry- Proteins, peptides, amino acids
Divisions: Divisions > Division of Natural Sciences > School of Physical Sciences
Depositing User: Jennifer Hiscock
Date Deposited: 09 Feb 2021 13:23 UTC
Last Modified: 06 Apr 2021 11:00 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/85937 (The current URI for this page, for reference purposes)
Clark, Ewan R.: https://orcid.org/0000-0001-7287-2631
Chu, Dominique: https://orcid.org/0000-0002-3706-2905
Mulvihill, Daniel P.: https://orcid.org/0000-0003-2502-5274
Hiscock, Jennifer R.: https://orcid.org/0000-0002-1406-8802
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