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Automated Fast Screening Method for Cocaine Identification in Seized Drug Samples Using a Portable Fourier Transform Infrared (FT-IR) Instrument.
Appl Spectrosc. 2016 05; 70(5):916-22.AS

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+Show Affiliations

Agilent Technologies, Inc., Danbury, CT, USA dipak.mainali@agilent.com.Agilent Technologies, Inc., Danbury, CT, USA.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

27006022

Citation

Mainali, Dipak, and John Seelenbinder. "Automated Fast Screening Method for Cocaine Identification in Seized Drug Samples Using a Portable Fourier Transform Infrared (FT-IR) Instrument." Applied Spectroscopy, vol. 70, no. 5, 2016, pp. 916-22.
Mainali D, Seelenbinder J. Automated Fast Screening Method for Cocaine Identification in Seized Drug Samples Using a Portable Fourier Transform Infrared (FT-IR) Instrument. Appl Spectrosc. 2016;70(5):916-22.
Mainali, D., & Seelenbinder, J. (2016). Automated Fast Screening Method for Cocaine Identification in Seized Drug Samples Using a Portable Fourier Transform Infrared (FT-IR) Instrument. Applied Spectroscopy, 70(5), 916-22. https://doi.org/10.1177/0003702816638305
Mainali D, Seelenbinder J. Automated Fast Screening Method for Cocaine Identification in Seized Drug Samples Using a Portable Fourier Transform Infrared (FT-IR) Instrument. Appl Spectrosc. 2016;70(5):916-22. PubMed PMID: 27006022.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Automated Fast Screening Method for Cocaine Identification in Seized Drug Samples Using a Portable Fourier Transform Infrared (FT-IR) Instrument. AU - Mainali,Dipak, AU - Seelenbinder,John, Y1 - 2016/03/22/ PY - 2015/08/31/received PY - 2016/01/20/accepted PY - 2016/3/24/entrez PY - 2016/3/24/pubmed PY - 2018/2/6/medline KW - ATR KW - Center of gravity algorithm KW - FT-IR KW - Fourier transform infrared KW - Portable spectrometers KW - attenuated total reflectance KW - expert system KW - illegal drugs SP - 916 EP - 22 JF - Applied spectroscopy JO - Appl Spectrosc VL - 70 IS - 5 N2 - 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. SN - 1943-3530 UR - https://www.unboundmedicine.com/medline/citation/27006022/Automated_Fast_Screening_Method_for_Cocaine_Identification_in_Seized_Drug_Samples_Using_a_Portable_Fourier_Transform_Infrared__FT_IR__Instrument_ L2 - http://journals.sagepub.com/doi/full/10.1177/0003702816638305?url_ver=Z39.88-2003&rfr_id=ori:rid:crossref.org&rfr_dat=cr_pub=pubmed DB - PRIME DP - Unbound Medicine ER -