Cocaine profiling: Implementation of a predictive model by ATR-FTIR coupled with chemometrics in forensic chemistry
| Autor: | Adolfo Gregori, Luigi Ripani, Roberta Risoluti, Azzurra Apriceno, Stefano Materazzi |
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| Rok vydání: | 2016 |
| Předmět: |
Informatics
ATR-FTIR spectroscopy Analytical chemistry Atr ftir spectroscopy 02 engineering and technology 01 natural sciences Gas Chromatography-Mass Spectrometry Analytical Chemistry Chemometrics cocaine chemometrics forensic chemistry Cocaine Partial least squares regression Spectroscopy Fourier Transform Infrared Profiling (information science) Fourier transform infrared spectroscopy Least-Squares Analysis Chromatography Models Statistical Chemistry 010401 analytical chemistry Forensic chemistry Forensic Sciences 021001 nanoscience & nanotechnology 0104 chemical sciences Principal component regression 0210 nano-technology Multivariate classification |
| Zdroj: | Talanta. 166 |
| ISSN: | 1873-3573 |
| Popis: | In this study, a strategy based on Infrared Spectroscopy with Fourier Transformed and Attenuated Total Reflectance associated with chemometrics (ATR-FTIR) is proposed to identify the chemical “fingerprint” of cocaine samples. To this end, standard mixtures of cocaine and cuttings at differents ratio were investigated in order to develop a multivariate classification model to simultaneously predict the composition of the samples and to obtain a profile of adulteration of cocaine seizures. In addition, the application of a Partial Least Squares (PLS) and Principal Component Regression (PCR) calibration approaches were found to be a useful tool to predict the content of cocaine, caffeine, procaine, lidocaine and phenacetin in drug seizures. The achieved results on real confiscated samples, in cooperation with the Italian Scientific Investigation Department (Carabinieri-RIS) of Rome, allow to consider ATR-FTIR followed to chemometrics as a promising forensic tool in such situations involving profile comparisons and supporting forensic investigations. |
| Databáze: | OpenAIRE |
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