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Title: Development and Investigation of NMR tools for chiral compound identification

Abstract

The goal behind the assigned summer project was to investigate the ability of nuclear magnetic resonance spectroscopy (NMR) to identify enantiomers of select chiral organo-fluorophosphates (OFPs) compounds which are analogs of chemical warfare agents (CWAs, e.g. Sarin). This involved investigations utilizing chiral solvating agents (CSAs) and characterizing the binding phenomena with cyclodextrins. The resolution of OFPs enantiomers using NMR would be useful for research into toxicodynamics and toxicokinetics in biological systems due to the widely differing properties of the CWA enantiomers [1]. The optimization of decontamination abilities in the case of a CWA events, with this method’s potential rapidity and robustness, as well as the development of models correlating chiral compounds with CSAs for optimal resolution are all rational benefits of this research.

Authors:
 [1];  [2]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Electronic, Optical and Nano Materials
  2. Oak Ridge Inst. for Science and Education (ORISE), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1171573
Report Number(s):
SAND2014-17432R
537308
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
62 RADIOLOGY AND NUCLEAR MEDICINE

Citation Formats

Alam, Todd Michael, and Lansdon, Rick. Development and Investigation of NMR tools for chiral compound identification. United States: N. p., 2014. Web. doi:10.2172/1171573.
Alam, Todd Michael, & Lansdon, Rick. Development and Investigation of NMR tools for chiral compound identification. United States. doi:10.2172/1171573.
Alam, Todd Michael, and Lansdon, Rick. Mon . "Development and Investigation of NMR tools for chiral compound identification". United States. doi:10.2172/1171573. https://www.osti.gov/servlets/purl/1171573.
@article{osti_1171573,
title = {Development and Investigation of NMR tools for chiral compound identification},
author = {Alam, Todd Michael and Lansdon, Rick},
abstractNote = {The goal behind the assigned summer project was to investigate the ability of nuclear magnetic resonance spectroscopy (NMR) to identify enantiomers of select chiral organo-fluorophosphates (OFPs) compounds which are analogs of chemical warfare agents (CWAs, e.g. Sarin). This involved investigations utilizing chiral solvating agents (CSAs) and characterizing the binding phenomena with cyclodextrins. The resolution of OFPs enantiomers using NMR would be useful for research into toxicodynamics and toxicokinetics in biological systems due to the widely differing properties of the CWA enantiomers [1]. The optimization of decontamination abilities in the case of a CWA events, with this method’s potential rapidity and robustness, as well as the development of models correlating chiral compounds with CSAs for optimal resolution are all rational benefits of this research.},
doi = {10.2172/1171573},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Sep 01 00:00:00 EDT 2014},
month = {Mon Sep 01 00:00:00 EDT 2014}
}

Technical Report:

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