Accession Number:

AD1069425

Title:

Characterization of SWRI 80A Reactivation of Recombinant Human Acetylcholinesterase and Identification of Its Absolute Chirality Using Specific Rotation Calculations in Gaussian/16 at the Hartree-Fock Level of Theory

Descriptive Note:

Technical Report,01 May 2016,30 Sep 2017

Corporate Author:

US Army Medical Research Institute of Chemical Defense Aberdeen Proving Ground United States

Report Date:

2018-11-01

Pagination or Media Count:

22.0

Abstract:

The United States Army Medical Research Institute of Chemical Defense USAMRICD in collaboration with the Southwest Research Institute SwRI has identified an uncharged reactivator of nerve agent-inhibited recombinant human acetylcholinesterase rHuAChE that was able to reactivate rHuAChE inhibited by GF cyclosarin by 90 within 5 minutes at a concentration of 500 M during in vitro testing. The oxime reactivator SwRI80A 80A was synthesized by SwRI and tested at the USAMRICD. 80A is a racemic mixture of isomers about a chiral carbon atom in a hexyl ring. Each isomer has two E-Z enantiomers about a carbon-nitrogen double bond near the reactivating oxygen on the oxime arm of the molecule. To evaluate the reaction kinetics of each isomer, the racemic mixture was separated on a super-critical-fluid chromatography system. Two peaks were identified and named by the elution order P1 and P2. This report describes the identification of the chirality of those two peaks.

Subject Categories:

  • Chemical, Biological and Radiological Warfare

Distribution Statement:

APPROVED FOR PUBLIC RELEASE