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  • Höjer Holmgren, KarinThe Swedish Defence Research Agency, FOI CBRN Defence and Security, Umeå, Sweden (författare)

Part 1 : Tracing Russian VX to its synthetic routes by multivariate statistics of chemical attribution signatures

  • Artikel/kapitelEngelska2018

Förlag, utgivningsår, omfång ...

  • Elsevier,2018
  • printrdacarrier

Nummerbeteckningar

  • LIBRIS-ID:oai:DiVA.org:liu-189681
  • https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-189681URI
  • https://doi.org/10.1016/j.talanta.2018.02.104DOI

Kompletterande språkuppgifter

  • Språk:engelska
  • Sammanfattning på:engelska

Ingår i deldatabas

Klassifikation

  • Ämneskategori:ref swepub-contenttype
  • Ämneskategori:art swepub-publicationtype

Anmärkningar

  • Funding agencies: the Swedish Civil Contingencies Agency (under Contract 2014–5170) and the Department of Homeland Security, Science and Technology Directorate, Chemical Forensic Program (under Contract # HSHQPM-10-X-00014 and HSHQPM-11-X-00247), United States
  • Chemical attribution signatures (CAS) associated with different synthetic routes used for the production of Russian VX (VR) were identified. The goal of the study was to retrospectively determine the production method employed for an unknown VR sample. Six different production methods were evaluated, carefully chosen to include established synthetic routes used in the past for large scale production of the agent, routes involving general phosphorus-sulfur chemistry pathways leading to the agent, and routes whose main characteristic is their innate simplicity in execution. Two laboratories worked in parallel and synthesized a total of 37 batches of VR via the six synthetic routes following predefined synthesis protocols. The chemical composition of impurities and byproducts in each route was analyzed by GC/MS-EI and 49 potential CAS were recognized as important markers in distinguishing these routes using Principal Component Analysis (PCA). The 49 potential CAS included expected species based on knowledge of reaction conditions and pathways but also several novel compounds that were fully identified and characterized by a combined analysis that included MS-CI, MS-EI and HR-MS. The CAS profiles of the calibration set were then analyzed using partial least squares discriminant analysis (PLS-DA) and a cross validated model was constructed. The model allowed the correct classification of an external test set without any misclassifications, demonstrating the utility of this methodology for attributing VR samples to a particular production method. This work is part one of a three-part series in this Forensic VSI issue of a Sweden-United States collaborative effort towards the understanding of the CAS of VR in diverse batches and matrices. This part focuses on the CAS in synthesized batches of crude VR and in the following two parts of the series the influence of food matrices on the CAS profiles are investigated.

Ämnesord och genrebeteckningar

Biuppslag (personer, institutioner, konferenser, titlar ...)

  • Valdez, Carlos A.Forensic Science Center, Lawrence Livermore National Laboratory, Livermore, California, United States (författare)
  • Magnusson, Roger,1977-The Swedish Defence Research Agency, FOI CBRN Defence and Security, Umeå, Sweden(Swepub:liu)rogma60 (författare)
  • Vu, Alexander K.Forensic Science Center, Lawrence Livermore National Laboratory, Livermore, California, United States (författare)
  • Lindberg, SandraThe Swedish Defence Research Agency, FOI CBRN Defence and Security, Umeå, Sweden (författare)
  • Williams, Audrey M.Forensic Science Center, Lawrence Livermore National Laboratory, Livermore, California, United States (författare)
  • Alcaraz, ArmandoForensic Science Center, Lawrence Livermore National Laboratory, Livermore, California, United States (författare)
  • Åstot, CristerThe Swedish Defence Research Agency, FOI CBRN Defence and Security, Umeå, Sweden(Swepub:liu)crias79 (författare)
  • Hok, SaphonForensic Science Center, Lawrence Livermore National Laboratory, Livermore, California, United States (författare)
  • Norlin, RikardThe Swedish Defence Research Agency, FOI CBRN Defence and Security, Umeå, Sweden (författare)
  • The Swedish Defence Research Agency, FOI CBRN Defence and Security, Umeå, SwedenForensic Science Center, Lawrence Livermore National Laboratory, Livermore, California, United States (creator_code:org_t)

Sammanhörande titlar

  • Ingår i:Talanta: Elsevier186, s. 586-5960039-91401873-3573

Internetlänk

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  • Talanta (Sök värdpublikationen i LIBRIS)

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