6533b862fe1ef96bd12c632e
RESEARCH PRODUCT
Nondestructive Direct Determination of Heroin in Seized Illicit Street Drugs by Diffuse Reflectance near-Infrared Spectroscopy
Rocío VilchesSalvador GarriguesNieves GalipiensoJavier MorosMiguel De La Guardiasubject
Spectroscopy Near-InfraredMean squared errorIllicit DrugsChemistryDirect methodStreet drugsNear-infrared spectroscopyAnalytical chemistryReproducibility of ResultsResidualAnalytical ChemistryHeroinHeterogeneous populationCalibrationCalibrationCluster AnalysisDiffuse reflectionLeast-Squares Analysisdescription
A new method has been developed for the fast and nondestructive direct determination of heroin in seized street illicit drugs using partial least-squares regression analysis of diffuse reflectance near-infrared spectra. Data were obtained from untreated samples placed in standard glass chromatography vials. A heterogeneous population of 31 samples, previously analyzed by a reference method, was employed to build the calibration model and to have a separated validation set. Based on the use of zero-order data for a calibration set of 21 samples, after standard normal variate and quadratic linear removed baseline correction (detrending), in the wavelength range from 1111 to 1647 nm, 8 PLS factors were enough to obtain a root-mean-square error of prediction of 1.3% w/w, with a quality coefficient of 10% for the estimation of the accuracy error in the prediction of heroin concentration in unknown samples and a residual predictive deviation of 5.4.
year | journal | country | edition | language |
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2008-09-10 | Analytical Chemistry |