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Chemometric Study on the Forensic Discrimination of Soil Types Using Their Infrared Spectral Characteristics

Baron, Mark; Gonzalez-Rodriguez, Jose; Croxton, Ruth; Gonzalez, Rafael; Jimenez-Perez, Rebeca


Mark Baron

Jose Gonzalez-Rodriguez

Rafael Gonzalez

Rebeca Jimenez-Perez


Soil has been utilized in criminal investigations for some time because of its prevalence and transferability. It is usually the physical characteristics that are studied; however, the research carried out here aims to make use of the chemical profile of soil samples. The research we are presenting in this work used sieved (2 mm) soil samples taken from the top soil layer (about 10 cm) that were then analyzed using mid-infrared spectroscopy. The spectra obtained were pretreated and then input into two chemometric classification tools: nonlinear iterative partial least squares followed by linear discriminant analysis (NIPALS-LDA) and partial least squares discriminant analysis (PLS-DA). The models produced show that it is possible to discriminate between soil samples from different land use types and both approaches are comparable in performance. NIPALS-LDA performs much better than PLS-DA in classifying samples to location.

Journal Article Type Article
Publication Date Oct 1, 2011
Journal Applied Spectroscopy
Print ISSN 0003-7028
Electronic ISSN 0003-7028
Publisher SAGE Publications
Peer Reviewed Peer Reviewed
Volume 65
Issue 10
Pages 1151-1161
APA6 Citation Baron, M., Gonzalez-Rodriguez, J., Croxton, R., Gonzalez, R., & Jimenez-Perez, R. (2011). Chemometric Study on the Forensic Discrimination of Soil Types Using Their Infrared Spectral Characteristics. Applied Spectroscopy, 65(10), 1151-1161.
Keywords Soil analysis; Forensic science; Fourier transform infrared spectroscopy; FT-IR spectroscopy; Nonlinear iterative partial least squares; PLS; Linear discriminant analysis; LDA; Partial least squares discriminant analysis