Rapid in situ repeatable analysis of drugs in powder form using reflectance near-infrared spectroscopy and multivariate calibration

Journal of Forensic Sciences

Volumn 57, Issue 1, 2012, Pages 86-92

  Melucci, Dora ^a   Monti, Dario ^a   D'Elia, Marcello ^b   Luciano, Giorgio ^c  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b Gabinetto Regionale di Polizia Scientifica per l'Emilia Romagna   (Italy)

^c National Council for Research   (Italy)

Author keywords

Forensic chemistry; Forensic science; In situ repeatable analysis; Near infrared; Partial least squares regression; Powder drugs

Indexed keywords

EID: 84855351820     PISSN: 00221198     EISSN: 15564029     Source Type: Journal    
DOI: 10.1111/j.1556-4029.2011.01945.x     Document Type: Article

References (21)

1. Boleda MR, Galceran MT, Ventura F. Trace determination of cannabinoids and opiates in wastewater and surface waters by ultra-performance liquid chromatography-tandem mass spectrometry. J Chromatogr A 2007;1175:38-48.
2. Feng J, Wang L, Dai I, Harmon T, Bernert JT. Simultaneous determination of multiple drugs of abuse and relevant metabolites in urine by LC-MS-MS. J Anal Toxicol 2007;31:359-68.
3. Costa JL, Wang AY, Micke GA, Maldaner AO, Romano RL, Martins-Júnior HA, et al. Chemical identification of 2, 5-dimethoxy-4-bromoamphetamine (DOB). Forensic Sci Int 2007;173:130-6.
4. Jee RD. Near-infrared spectroscopy. In: Moffat AC, Osselton MD, Widdop B, editors. Clarke's analysis of drugs and poisons, Vol. 1. U.K.: Pharmaceutical Press, 2003; 346-57.
5. Ozaki Y, Katawa S, Heise HM, Siesler HW. Near-infrared spectroscopy. principles, instruments, applications. Weinheim, Germany: Wiley-VCH, 2002.
6. Kramer R. Chemometric techniques for quantitative analysis. New York, NY: Marcel Dekker Inc., 1998.
7. Cen H, He Y, Huang M. Combination and comparison of multivariate analysis for the identification of orange varieties using visible and near infrared reflectance spectroscopy. Eur Food Res Technol 2007;225:699-705.
8. Xie L, Ying Y, Yinga T. 401 Chemometrics methods for identification of transgenic tomatoes using visible and near-infrared diffuse transmittance technique. J Food Eng 2007;82:395-401.
9. Causin V, Marega C, Carresi P, Schiavone S, Marigo A. A quantitative differentiation method for plastic bags by infrared spectroscopy, thickness measurement and differential scanning calorimetry for tracing the source of illegal drugs. Forensic Sci Int 2006;164:148-54.
10. Baratieri SC, Barbosa JM, Freitas MP, Martins JA. Multivariate analysis of nystatin and metronidazole in a semi-solid matrix by means of diffuse reflectance NIR spectroscopy and PLS regression. J Pharm Biomed Anal 2006;40:51-5.
11. Dou Y, Sun Y, Ren Y, Ren Y. Artificial neural network for simultaneous determination of two components of compound paracetamol and diphenhydramine hydrochloride powder on NIR spectroscopy. Anal Chim Acta 2005;528:55-61.
12. Berntsson O, Danielsson LG, Johansson MO, Folestad S. Quantitative determination of content in binary powder mixtures using diffuse reflectance near infrared spectrometry and multivariate analysis. Anal Chim Acta 2000;419:45-54.
13. Moros J, Kuligowski J, Quintás G, Garrigues S, De la Guardia M. New cut-off criterion for uninformative variable elimination in multivariate calibration of near-infrared spectra for the determination of heroin in illicit street drugs. Anal Chim Acta 2008;630:150-60.
14. Davies AMC, Fearn T. Back to basics: the "final" calibration. Spectrosc Eur 2007;19:15-8.
15. Box GEP, Hunter WG, Hunter JS. Statistics for experimenters: an introduction to design, data analysis, and model building. New York: John Wiley & Sons, 1978.
16. Neubauer MG, Pace RG. D-optimal (0, 1)-weighing designs for eight objects. Linear Algebra Appl 2010;432:2634-57.
17. Miller JC, Miller JN. Statistics and chemometrics for analytical chemistry, 4th edn. Harlow, U.K.: Pearson/Prentice Hall, 2005.
18. Wold S, Sjöström M, Eriksson L. PLS-regression: a basic tool of chemometrics. Chemo Intell Lab Syst 2001;58:109-30.
19. Næs T, Isaksson T, Fearn T, Davies T. A user-friendly guide to multivariate calibration and classification. Chichester, U.K.: NIR Publications, 2002.
20. Boqué R, Faber NKM, Rius FX. Detection limits in classical multivariate calibration models. Anal Chim Acta 2000;423:41-9.
21. Zhang L, Garcia-Munoz S. A comparison of different methods to estimate prediction uncertainty using Partial Least Squares (PLS): a practitioner's perspective. Chemom Intell Lab Syst 2009;97:152-8.