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Quantitative analysis of cocaine in solid mixtures using Raman spectroscopy and chemometric methods

ARAN - Access to Research at NUI Galway

Show simple item record Ryder, Alan G. O'Connor, Gerard M. Thomas J., Glynn 2012-08-22T09:47:56Z 2012-08-22T09:47:56Z 2000
dc.identifier.citation Ryder,A.G., O'Connor, G.M., Glynn, T.J. (2000) 'Quantitative analysis of cocaine in solid mixtures using Raman spectroscopy and chemometric methods'. Journal Of Raman Spectroscopy, 31 (3):221-227. en_US
dc.identifier.issn 1097-4555
dc.description.abstract Near-infrared (785 mn) excitation was used to obtain Raman spectra from a series of 33 solid mixtures containing cocaine, caffeine and glucose (9.8-80.6% by weight cocaine), which were then analysed using chemometric methods, Principal component analysis of the data was employed to ascertain what factors influenced the spectral variation across the concentration range. It was found that 98% of the spectral variation was accounted for by three principal components. Analysis of the score and loadings plots for these components showed that the samples can be clearly classified on the basis of cocaine concentration. Discrimination on the basis of caffeine and glucose concentrations was also possible. Quantitative calibration models were generated using partial least-squares algorithms which predicted the concentration of cocaine in the solid mixtures containing caffeine and glucose from the Raman spectrum with a root mean standard error of prediction (RMSEP) of 4.1%, Caffeine and glucose concentrations were estimated with RMSEPs of 5.2 and 6.6%, respectively, These measurements demonstrate the feasibility of using near-IR Raman spectroscopy for rapid quantitative characterization of illegal narcotics. Copyright (C) 2000 John Wiley & Sons, Ltd. en_US
dc.description.sponsorship Science & Technology Against Drugs Programme (Forbairt) en_US
dc.language.iso en en_US
dc.publisher Wiley en_US
dc.relation.ispartof Journal Of Raman Spectroscopy en
dc.subject Chemometrics en_US
dc.subject Raman en_US
dc.subject Spectroscopy en_US
dc.subject Forensic en_US
dc.subject Cocaine en_US
dc.subject Quantitative en_US
dc.title Quantitative analysis of cocaine in solid mixtures using Raman spectroscopy and chemometric methods en_US
dc.type Article en_US 2012-08-17T12:54:34Z
dc.identifier.doi 10.1002/(SICI)1097-4555(200003)31:3<221::AID-JRS518>3.0.CO;2-5
dc.local.publishedsource<221::AID-JRS518>3.0.CO;2-5 en_US
dc.description.peer-reviewed peer-reviewed
dc.contributor.funder |~|Enterprise Ireland Forbairt|~|
dc.internal.rssid 1159029 Alan Ryder, School Of Chemistry, Room 228, Arts/Science Building, Nui Galway. 2943 Email:
dc.local.copyrightchecked No
dc.local.version ACCEPTED

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