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Title: Part 3: Solid phase extraction of Russian VX and its chemical attribution signatures in food matrices and their detection by GC-MS and LC-MS [Extraction and Detection of Russian VX and its Chemical Attribution Signatures in Food and Environmental Matrices at LLNL]

Abstract

Chemical attribution signatures indicative of O-isobutyl S-(2-diethylaminoethyl) methylphosphonothioate (Russian VX) synthetic routes were investigated in spiked food samples. Attribution signatures were identified using a multifaceted approach: Russian VX was synthesized using six synthetic routes and the chemical attribution signatures identified by GC-MS and LC-MS. Three synthetic routes were then down selected and spiked into complex matrices: bottled water, baby food, milk, liquid eggs, and hot dogs. Sampling and extraction methodologies were developed for these materials and used to isolate the attribution signatures and Russian VX from each matrix. Recoveries greater than 60% were achieved for most signatures in all matrices; some signatures provided recoveries greater than 100%, indicating some degradation during sample preparation. A chemometric model was then developed and validated with the concatenated data from GC-MS and LC-MS analyses of the signatures; the classification results of the model were > 75% for all samples. Finally, this work is part three of a three-part series in this issue of the United States-Sweden collaborative efforts towards the understanding of the chemical attribution signatures of Russian VX in crude materials and in food matrices.

Authors:
 [1];  [1];  [1];  [1];  [1];  [1]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Forensic Science Center
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1491629
Report Number(s):
LLNL-JRNL-734003
Journal ID: ISSN 0039-9140; 885508
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Talanta
Additional Journal Information:
Journal Volume: 186; Journal Issue: C; Journal ID: ISSN 0039-9140
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Chemical attribution signatures; Chemical warfare agent; Russian VX; Machine learning; Forensic attribution

Citation Formats

Williams, Audrey M., Vu, Alexander K., Mayer, Brian P., Hok, Saphon, Valdez, Carlos A., and Alcaraz, Armando. Part 3: Solid phase extraction of Russian VX and its chemical attribution signatures in food matrices and their detection by GC-MS and LC-MS [Extraction and Detection of Russian VX and its Chemical Attribution Signatures in Food and Environmental Matrices at LLNL]. United States: N. p., 2018. Web. doi:10.1016/j.talanta.2018.03.044.
Williams, Audrey M., Vu, Alexander K., Mayer, Brian P., Hok, Saphon, Valdez, Carlos A., & Alcaraz, Armando. Part 3: Solid phase extraction of Russian VX and its chemical attribution signatures in food matrices and their detection by GC-MS and LC-MS [Extraction and Detection of Russian VX and its Chemical Attribution Signatures in Food and Environmental Matrices at LLNL]. United States. doi:10.1016/j.talanta.2018.03.044.
Williams, Audrey M., Vu, Alexander K., Mayer, Brian P., Hok, Saphon, Valdez, Carlos A., and Alcaraz, Armando. Sat . "Part 3: Solid phase extraction of Russian VX and its chemical attribution signatures in food matrices and their detection by GC-MS and LC-MS [Extraction and Detection of Russian VX and its Chemical Attribution Signatures in Food and Environmental Matrices at LLNL]". United States. doi:10.1016/j.talanta.2018.03.044. https://www.osti.gov/servlets/purl/1491629.
@article{osti_1491629,
title = {Part 3: Solid phase extraction of Russian VX and its chemical attribution signatures in food matrices and their detection by GC-MS and LC-MS [Extraction and Detection of Russian VX and its Chemical Attribution Signatures in Food and Environmental Matrices at LLNL]},
author = {Williams, Audrey M. and Vu, Alexander K. and Mayer, Brian P. and Hok, Saphon and Valdez, Carlos A. and Alcaraz, Armando},
abstractNote = {Chemical attribution signatures indicative of O-isobutyl S-(2-diethylaminoethyl) methylphosphonothioate (Russian VX) synthetic routes were investigated in spiked food samples. Attribution signatures were identified using a multifaceted approach: Russian VX was synthesized using six synthetic routes and the chemical attribution signatures identified by GC-MS and LC-MS. Three synthetic routes were then down selected and spiked into complex matrices: bottled water, baby food, milk, liquid eggs, and hot dogs. Sampling and extraction methodologies were developed for these materials and used to isolate the attribution signatures and Russian VX from each matrix. Recoveries greater than 60% were achieved for most signatures in all matrices; some signatures provided recoveries greater than 100%, indicating some degradation during sample preparation. A chemometric model was then developed and validated with the concatenated data from GC-MS and LC-MS analyses of the signatures; the classification results of the model were > 75% for all samples. Finally, this work is part three of a three-part series in this issue of the United States-Sweden collaborative efforts towards the understanding of the chemical attribution signatures of Russian VX in crude materials and in food matrices.},
doi = {10.1016/j.talanta.2018.03.044},
journal = {Talanta},
issn = {0039-9140},
number = C,
volume = 186,
place = {United States},
year = {2018},
month = {3}
}

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