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Proceedings Paper

Multivariate Statistical Classification of Surface Enhanced Raman Spectra of Chemical and Biological Warfare Agent Simulants
Author(s): Augustus W. Fountain III; William F. Pearman
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Paper Abstract

Initial results which demonstrate the ability to classify surface enhanced Raman (SERS) spectra of chemical and biological warfare agent simulants are presented. The spectra of 2 endospores (B. subtilis, B. atrophaeus); 2 chemical agent simulants (Dimethyl methylphosphonate (DMMP), Diethyl methylphosphonate (DEMP)); and 2 toxin simulants (Ovalbumin, Horseradish peroxidase) were collected on multiple substrates fabricated from colloidal gold adsorbed onto a silanized quartz surface. The use of principle component analysis (PCA) and Hierarchical Clustering was used as a method of determining the reproducibility of the individual spectra collected from a single substrate. Additionally, the use of partial least squares-discriminate analysis (PLS-DA) and soft independent modeling of class analogies (SIMCA) on a compilation of data from separate substrates, fabricated under identical conditions, demonstrates the feasibility of this technique for the identification of known but previously unclassified spectra.

Paper Details

Date Published: 9 November 2005
PDF: 14 pages
Proc. SPIE 5994, Chemical and Biological Sensors for Industrial and Environmental Security, 59940P (9 November 2005); doi: 10.1117/12.629742
Show Author Affiliations
Augustus W. Fountain III, U.S. Military Academy (United States)
William F. Pearman, U.S. Military Academy (United States)


Published in SPIE Proceedings Vol. 5994:
Chemical and Biological Sensors for Industrial and Environmental Security
Arthur J. Sedlacek III; Steven D. Christesen; Roger J. Combs; Tuan Vo-Dinh, Editor(s)

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