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dc.contributor.authorRyder, Alan G.
dc.contributor.authorO'Connor, Gerard M.
dc.contributor.authorThomas J., Glynn
dc.date.accessioned2012-08-22T09:47:56Z
dc.date.available2012-08-22T09:47:56Z
dc.date.issued2000
dc.identifier.citationRyder,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.issn1097-4555
dc.identifier.urihttp://hdl.handle.net/10379/2927
dc.description.abstractNear-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.sponsorshipScience & Technology Against Drugs Programme (Forbairt)en_US
dc.language.isoenen_US
dc.publisherWileyen_US
dc.relation.ispartofJournal Of Raman Spectroscopyen
dc.subjectChemometricsen_US
dc.subjectRamanen_US
dc.subjectSpectroscopyen_US
dc.subjectForensicen_US
dc.subjectCocaineen_US
dc.subjectQuantitativeen_US
dc.titleQuantitative analysis of cocaine in solid mixtures using Raman spectroscopy and chemometric methodsen_US
dc.typeArticleen_US
dc.date.updated2012-08-17T12:54:34Z
dc.identifier.doi10.1002/(SICI)1097-4555(200003)31:3<221::AID-JRS518>3.0.CO;2-5
dc.local.publishedsourcehttp://dx.doi.org/10.1002/(SICI)1097-4555(200003)31:3<221::AID-JRS518>3.0.CO;2-5en_US
dc.description.peer-reviewedpeer-reviewed
dc.contributor.funder|~|Enterprise Ireland Forbairt|~|
dc.internal.rssid1159029
dc.local.contactAlan Ryder, School Of Chemistry, Room 228, Arts/Science Building, Nui Galway. 2943 Email: alan.ryder@nuigalway.ie
dc.local.copyrightcheckedNo
dc.local.versionACCEPTED
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