title: Automated Fast Screening Method for Cocaine Identification in Seized Drug Samples Using a Portable Fourier Transform Infrared (FT-IR) Instrument.
abstract: Quick and presumptive identification of seized drug samples without destroying evidence is necessary for law enforcement officials to control the trafficking and abuse of drugs. This work reports an automated screening method to detect the presence of cocaine in seized samples using portable Fourier transform infrared (FT-IR) spectrometers. The method is based on the identification of well-defined characteristic vibrational frequencies related to the functional group of the cocaine molecule and is fully automated through the use of an expert system. Traditionally, analysts look for key functional group bands in the infrared spectra and characterization of the molecules present is dependent on user interpretation. This implies the need for user expertise, especially in samples that likely are mixtures. As such, this approach is biased and also not suitable for non-experts. The method proposed in this work uses the well-established "center of gravity" peak picking mathematical algorithm and combines it with the conditional reporting feature in MicroLab software to provide an automated method that can be successfully employed by users with varied experience levels. The method reports the confidence level of cocaine present only when a certain number of cocaine related peaks are identified by the automated method. Unlike library search and chemometric methods that are dependent on the library database or the training set samples used to build the calibration model, the proposed method is relatively independent of adulterants and diluents present in the seized mixture. This automated method in combination with a portable FT-IR spectrometer provides law enforcement officials, criminal investigators, or forensic experts a quick field-based prescreening capability for the presence of cocaine in seized drug samples.
authors.affiliation: Agilent Technologies, Inc., Danbury, CT, USA dipak.mainali@agilent.com.
authors.forename: Dipak
authors.initials: D
authors.lastname: Mainali
authors.affiliation: Agilent Technologies, Inc., Danbury, CT, USA.
authors.forename: John
authors.initials: J
authors.lastname: Seelenbinder
mesh_terms: D000465:Algorithms; D000779:Anesthetics, Local / Q000032:analysis*; D003042:Cocaine / Q000032:analysis*; D018765:Dopamine Uptake Inhibitors / Q000032:analysis*; D013287:Illicit Drugs / Q000032:analysis*; D008904:Miniaturization / Q000295:instrumentation; D012984:Software; D017550:Spectroscopy, Fourier Transform Infrared / Q000295:instrumentation*; D015813:Substance Abuse Detection / Q000295:instrumentation
chemical_list: D000779:Anesthetics, Local; D018765:Dopamine Uptake Inhibitors; D013287:Illicit Drugs; D003042:Cocaine
keywords: ATR; Center of gravity algorithm; FT-IR; Fourier transform infrared; Portable spectrometers; attenuated total reflectance; expert system; illegal drugs