A strategy was developed for the non-destructive identification of illicit ecstasy samples.
Examinations were restricted to N-methyl-3,4-methylendioxyamphetamine (MDMA), N-ethyl-3,4-methylendioxyamphetamine (MDE) and amphetamine, which are the main substances abused in ecstasy tablets.
The samples were analysed applying near-infrared (NIR) spectroscopy (1100-2500 nm) in reflectance mode.
The experimental design was used to extract maximum information from a minimum number of experiments.
A calibration data set containing 497 powdered MDMA, MDE, amphetamine and placebo samples was established.
Either raw or second derivative spectra were used to calculate the PLS-I and PLS-2 models, respectively.
The prediction values of eight different independent test sets were employed for model validation.
The best results were obtained using the PLS-2 model based on second derivative spectra.
It is shown that discrimination of the three substances in complex tablet matrices is possible.
Variation of the composition in the calibration set is sufficient for prediction of samples containing either these drugs in combination with unknown excipients or only placebo samples.
NIR spectroscopy offers an excellent possibility for fast and non-destructive identification of ecstasy drugs.
Mots-clés Pascal : Spectrométrie IR proche, Identification, Amphétamine dérivé, Amphétamine(N-méthyl-3,4-méthylènedioxy), Substance toxicomanogène, Exploration toxicologique, Matrice complexe, Poudre, Echantillon, Moindre carré partiel, Criminalité, Analyse biochimique, Validation, Précision, Fiabilité, Ecstasy, Criminalistique, Police scientifique
Mots-clés Pascal anglais : Near infrared spectrometry, Identification, Amphetamine derivatives, Drug of abuse, Toxicological exploration, Complex matrix, Powder, Sample, Partial least squares, Criminality, Biochemical analysis, Validation, Accuracy, Reliability, Forensic science
Notice produite par :
Inist-CNRS - Institut de l'Information Scientifique et Technique
Cote : 99-0409035
Code Inist : 002B30A10. Création : 22/03/2000.