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Screening experiments of ecstasy street samples using near infrared spectroscopy.
Forensic Sci Int. 1999 Dec 20; 106(3):147-56.FS

Abstract

Twelve different sets of confiscated ecstasy samples were analysed applying both near infrared spectroscopy in reflectance mode (1100-2500 nm) and high-performance liquid chromatography (HPLC). The sets showed a large variance in composition. A calibration data set was generated based on the theory of factorial designs. It contained 221 N-methyl-3,4-methylenedioxyamphetamine (MDMA) samples, 167 N-ethyl-3,4-methylenedioxyamphetamine (MDE), 111 amphetamine and 106 samples without a controlled substance, which will be called placebo samples thereafter. From this data set, PLS-1 models were calculated and were successfully applied for validation of various external laboratory test sets. The transferability of these results to confiscated tablets is demonstrated here. It is shown that differentiation into placebo, amphetamine and ecstasy samples is possible. Analysis of intact tablets is practicable. However, more reliable results are obtained from pulverised samples. This is due to ill-defined production procedures. The use of mathematically pretreated spectra improves the prediction quality of all the PLS-1 models studied. It is possible to improve discrimination between MDE and MDMA with the help of a second model based on raw spectra. Alternative strategies are briefly discussed.

Authors+Show Affiliations

Pharmaceutical Institute, University of Tübingen, Germany.No affiliation info available

Pub Type(s)

Journal Article

Language

eng

PubMed ID

10680063

Citation

Sondermann, N, and K A. Kovar. "Screening Experiments of Ecstasy Street Samples Using Near Infrared Spectroscopy." Forensic Science International, vol. 106, no. 3, 1999, pp. 147-56.
Sondermann N, Kovar KA. Screening experiments of ecstasy street samples using near infrared spectroscopy. Forensic Sci Int. 1999;106(3):147-56.
Sondermann, N., & Kovar, K. A. (1999). Screening experiments of ecstasy street samples using near infrared spectroscopy. Forensic Science International, 106(3), 147-56.
Sondermann N, Kovar KA. Screening Experiments of Ecstasy Street Samples Using Near Infrared Spectroscopy. Forensic Sci Int. 1999 Dec 20;106(3):147-56. PubMed PMID: 10680063.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Screening experiments of ecstasy street samples using near infrared spectroscopy. AU - Sondermann,N, AU - Kovar,K A, PY - 2000/2/19/pubmed PY - 2000/3/4/medline PY - 2000/2/19/entrez SP - 147 EP - 56 JF - Forensic science international JO - Forensic Sci. Int. VL - 106 IS - 3 N2 - Twelve different sets of confiscated ecstasy samples were analysed applying both near infrared spectroscopy in reflectance mode (1100-2500 nm) and high-performance liquid chromatography (HPLC). The sets showed a large variance in composition. A calibration data set was generated based on the theory of factorial designs. It contained 221 N-methyl-3,4-methylenedioxyamphetamine (MDMA) samples, 167 N-ethyl-3,4-methylenedioxyamphetamine (MDE), 111 amphetamine and 106 samples without a controlled substance, which will be called placebo samples thereafter. From this data set, PLS-1 models were calculated and were successfully applied for validation of various external laboratory test sets. The transferability of these results to confiscated tablets is demonstrated here. It is shown that differentiation into placebo, amphetamine and ecstasy samples is possible. Analysis of intact tablets is practicable. However, more reliable results are obtained from pulverised samples. This is due to ill-defined production procedures. The use of mathematically pretreated spectra improves the prediction quality of all the PLS-1 models studied. It is possible to improve discrimination between MDE and MDMA with the help of a second model based on raw spectra. Alternative strategies are briefly discussed. SN - 0379-0738 UR - https://www.unboundmedicine.com/medline/citation/10680063/Screening_experiments_of_ecstasy_street_samples_using_near_infrared_spectroscopy_ L2 - https://linkinghub.elsevier.com/retrieve/pii/S0379073899001954 DB - PRIME DP - Unbound Medicine ER -