Forensic classification of ballpoint pen inks using high performance liquid chromatography and infrared spectroscopy with principal components analysis and linear discriminant analysis

Kher, A; Mulholland, M; Green, E; Reedy, B

Forensic classification of ballpoint pen inks using high performance liquid chromatography and infrared spectroscopy with principal components analysis and linear discriminant analysis

Kher, A Mulholland, M Green, E Reedy, B

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Publication Type:: Journal Article
Citation:: Vibrational Spectroscopy, 2006, 40 (2), pp. 270 - 277
Issue Date:: 2006-03-17

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Field	Value	Language
dc.contributor.author	Kher, A	en_US
dc.contributor.author	Mulholland, M	en_US
dc.contributor.author	Green, E	en_US
dc.contributor.author	Reedy, B https://orcid.org/0000-0003-1797-8091	en_US
dc.date.issued	2006-03-17	en_US
dc.identifier.citation	Vibrational Spectroscopy, 2006, 40 (2), pp. 270 - 277	en_US
dc.identifier.issn	0924-2031	en_US
dc.identifier.uri	http://hdl.handle.net/10453/636
dc.description.abstract	Several varieties of blue ballpoint pen inks were analyzed by high performance liquid chromatography (HPLC) and infrared spectroscopy (IR). The chromatographic data extracted at four wavelengths (254, 279, 370 and 400 nm) was analyzed individually and at a combination of these wavelengths by the soft independent modeling of class analogies (SIMCA) technique using principal components analysis (PCA) to estimate the separation between the pen samples. Linear discriminant analysis (LDA) measured the probability with which an observation could be assigned to a pen class. The best resolution was obtained by HPLC using data from all four wavelengths together, differentiating 96.4% pen pairs successfully using PCA and 97.9% pen samples by LDA. PCA separated 60.7% of the pen pairs and LDA provided a correct classification of 62.5% of the pens analyzed by IR. The results of this study indicate that HPLC coupled with chemometrics provided a better discrimination of ballpoint pen inks compared to IR. The need to develop a suitable IR method for analysing blue ballpoint pen inks has been emphasized and it is hoped that the development of such a method would indeed provide a valuable tool for the non-destructive analysis of blue ballpoint pen ink samples for forensic purposes. © 2005 Elsevier B.V. All rights reserved.	en_US
dc.relation.ispartof	Vibrational Spectroscopy	en_US
dc.relation.isbasedon	10.1016/j.vibspec.2005.11.002	en_US
dc.subject.classification	Chemical Physics	en_US
dc.title	Forensic classification of ballpoint pen inks using high performance liquid chromatography and infrared spectroscopy with principal components analysis and linear discriminant analysis	en_US
dc.type	Journal Article
utslib.citation.volume	2	en_US
utslib.citation.volume	40	en_US
utslib.for	0306 Physical Chemistry (incl. Structural)	en_US
utslib.for	0304 Medicinal and Biomolecular Chemistry	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Chemistry and Forensic Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
utslib.copyright.status	closed_access
pubs.issue	2	en_US
pubs.publication-status	Published	en_US
pubs.volume	40	en_US

Abstract:

Several varieties of blue ballpoint pen inks were analyzed by high performance liquid chromatography (HPLC) and infrared spectroscopy (IR). The chromatographic data extracted at four wavelengths (254, 279, 370 and 400 nm) was analyzed individually and at a combination of these wavelengths by the soft independent modeling of class analogies (SIMCA) technique using principal components analysis (PCA) to estimate the separation between the pen samples. Linear discriminant analysis (LDA) measured the probability with which an observation could be assigned to a pen class. The best resolution was obtained by HPLC using data from all four wavelengths together, differentiating 96.4% pen pairs successfully using PCA and 97.9% pen samples by LDA. PCA separated 60.7% of the pen pairs and LDA provided a correct classification of 62.5% of the pens analyzed by IR. The results of this study indicate that HPLC coupled with chemometrics provided a better discrimination of ballpoint pen inks compared to IR. The need to develop a suitable IR method for analysing blue ballpoint pen inks has been emphasized and it is hoped that the development of such a method would indeed provide a valuable tool for the non-destructive analysis of blue ballpoint pen ink samples for forensic purposes. © 2005 Elsevier B.V. All rights reserved.

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http://hdl.handle.net/10453/636