Performance Evaluation of Handheld Raman Spectroscopy for Cocaine Detection in Forensic Case Samples.

Abstract

Handheld Raman spectroscopy is an emerging technique for rapid on-site detection of drugs-of-abuse. Most devices are developed for on-scene operation with a user interface that only shows whether cocaine has been detected. Extensive validation studies are unavailable, and so are typically the insight in raw spectral data and the identification criteria. This work evaluates the performance of a commercial handheld Raman spectrometer for cocaine detection based on i) its performance on 0 - 100 (wt)% binary cocaine mixtures, ii) retrospective comparison of 3168 case samples from 2015 - 2020 analyzed by both GC-MS and Raman, iii) assessment of spectral selectivity and iv) comparison of the instrument's on-screen results with combined Partial Least Square Regression (PLS-R) and Discriminant Analysis (PLS-DA) models. The limit of detection was dependent on sample composition and varied between 10 - 40 % cocaine. Since the average cocaine content in street samples is well above this limit, a 97.5 % true positive rate was observed in case samples. No cocaine false positives were reported although 12.5% of the negative samples were initially reported as inconclusive by the built-in software. The spectral assessment showed high selectivity for Raman peaks at 1712 cm-1 (cocaine base) and 1716 cm-1 (cocaine HCl). Combined PLS-R and PLS-DA models using these features confirmed and further improved instrument performance. This study scientifically assessed the performance of a commercial Raman spectrometer, providing useful insight on its applicability for both presumptive detection and legally valid evidence of cocaine presence for law enforcement.