PMID- 10680063
OWN - NLM
STAT- MEDLINE
DCOM- 20000302
LR  - 20190831
IS  - 0379-0738 (Print)
IS  - 0379-0738 (Linking)
VI  - 106
IP  - 3
DP  - 1999 Dec 20
TI  - Screening experiments of ecstasy street samples using near infrared spectroscopy.
PG  - 147-56
AB  - 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.
FAU - Sondermann, N
AU  - Sondermann N
AD  - Pharmaceutical Institute, University of Tubingen, Germany.
FAU - Kovar, K A
AU  - Kovar KA
LA  - eng
PT  - Journal Article
PL  - Ireland
TA  - Forensic Sci Int
JT  - Forensic science international
JID - 7902034
RN  - 0 (Amphetamines)
RN  - 0 (Central Nervous System Stimulants)
RN  - 0 (Hallucinogens)
RN  - 0 (Tablets)
RN  - KE1SEN21RM (N-Methyl-3,4-methylenedioxyamphetamine)
SB  - IM
MH  - Amphetamines/analysis/chemistry
MH  - Calibration
MH  - Central Nervous System Stimulants/analysis/chemistry
MH  - Chromatography, High Pressure Liquid/methods
MH  - Factor Analysis, Statistical
MH  - Forensic Medicine
MH  - Hallucinogens/*analysis/chemistry
MH  - Humans
MH  - Mass Screening/*methods
MH  - N-Methyl-3,4-methylenedioxyamphetamine/*analysis/chemistry
MH  - Predictive Value of Tests
MH  - Regression Analysis
MH  - Reproducibility of Results
MH  - Spectroscopy, Near-Infrared/*methods
MH  - Tablets/chemistry
EDAT- 2000/02/19 09:00
MHDA- 2000/03/04 09:00
CRDT- 2000/02/19 09:00
PHST- 2000/02/19 09:00 [pubmed]
PHST- 2000/03/04 09:00 [medline]
PHST- 2000/02/19 09:00 [entrez]
AID - S0379073899001954 [pii]
AID - 10.1016/s0379-0738(99)00195-4 [doi]
PST - ppublish
SO  - Forensic Sci Int. 1999 Dec 20;106(3):147-56. doi: 10.1016/s0379-0738(99)00195-4.