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ACS Publications. Most Trusted. Most Cited. Most Read
Trace Detection of Adulterants in Illicit Opioid Samples Using Surface-Enhanced Raman Scattering and Random Forest Classification
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    Trace Detection of Adulterants in Illicit Opioid Samples Using Surface-Enhanced Raman Scattering and Random Forest Classification
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    • Rebecca R. Martens
      Rebecca R. Martens
      Department of Chemistry, University of Victoria, Victoria, British Columbia V8W 3V6, Canada
    • Lea Gozdzialski
      Lea Gozdzialski
      Department of Chemistry, University of Victoria, Victoria, British Columbia V8W 3V6, Canada
    • Ella Newman
      Ella Newman
      Department of Chemistry, University of Victoria, Victoria, British Columbia V8W 3V6, Canada
      More by Ella Newman
    • Chris Gill
      Chris Gill
      Department of Chemistry, Vancouver Island University, Nanaimo, British Columbia V9R 5S5, Canada
      Department of Chemistry, University of Victoria, Victoria, British Columbia V8W 3V6, Canada
      Department of Environmental and Occupational Health Sciences, University of Washington, Seattle, Washington 98195, United States
      Canadian Institute for Substance Use Research, University of Victoria, Victoria, British Columbia V8W 2Y2, Canada
      More by Chris Gill
    • Bruce Wallace
      Bruce Wallace
      School of Social Work, University of Victoria, Victoria, British Columbia V8W 2Y2, Canada
      Canadian Institute for Substance Use Research, University of Victoria, Victoria, British Columbia V8W 2Y2, Canada
    • Dennis K. Hore*
      Dennis K. Hore
      Department of Chemistry, University of Victoria, Victoria, British Columbia V8W 3V6, Canada
      Department of Computer Science, University of Victoria, Victoria, British Columbia V8W 3P6, Canada
      Canadian Institute for Substance Use Research, University of Victoria, Victoria, British Columbia V8W 2Y2, Canada
      *E-mail: [email protected]
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    Analytical Chemistry

    Cite this: Anal. Chem. 2024, 96, 30, 12277–12285
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    https://doi.org/10.1021/acs.analchem.4c01271
    Published July 17, 2024
    Copyright © 2024 The Authors. Published by American Chemical Society

    Abstract

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    The detection of trace adulterants in opioid samples is an important aspect of drug checking, a harm reduction measure that is required as a result of the variability and unpredictability of the illicit drug supply. While many analytical methods are suitable for such analysis, community-based approaches require techniques that are amenable to point-of-care applications with minimal sample preparation and automated analysis. We demonstrate that surface-enhanced Raman spectroscopy (SERS), combined with a random forest classifier, is able to detect the presence of two common sedatives, bromazolam (0.32–36% w/w) and xylazine (0.15–15% w/w), found in street opioid samples collected as a part of a community drug checking service. The Raman predictions, benchmarked against mass spectrometry results, exhibited high specificity (88% for bromazolam, 96% for xylazine) and sensitivity (88% for bromazolam, 92% for xylazine) for the compounds of interest. We additionally provide evidence that this exceeds the performance of a more conventional approach using infrared spectral data acquired on the same samples. This demonstrates the feasibility of SERS for point-of-care analysis of challenging multicomponent samples containing trace adulterants.

    Copyright © 2024 The Authors. Published by American Chemical Society

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    • Information on the composition of samples in the training and test sets; additional spectra; targeted secondary model development (PDF)

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    Analytical Chemistry

    Cite this: Anal. Chem. 2024, 96, 30, 12277–12285
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.analchem.4c01271
    Published July 17, 2024
    Copyright © 2024 The Authors. Published by American Chemical Society

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