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- Title
Automated qualitative and quantitative analysis of complex forensic drug samples using <sup>1</sup>H NMR.
- Authors
Mehr, S. Hessam M.; Tang, Aaron W.; Laing, Richard R.
- Abstract
Progress in high‐resolution nuclear magnetic resonance (NMR) instrumentation has enabled fast and accurate acquisition of quantitative 1H NMR (qNMR) data, but analyzing complex forensic drug samples in the presence of significant peak overlap remains challenging. This limitation has hampered the adoption of 1H NMR in areas such as traditional medicine and law enforcement. We present the NMRquant algorithm, which can detect and quantitate compounds of interest within forensic mixed drug samples even when there is overlap between chemical shift regions. Our algorithm is robust against variations in chemical shift resulting from temperature, concentration, and inter‐analyte interactions. We have integrated these desirable features into an automated workflow, enabling routine unattended proton qNMR analysis of forensic drug samples.
- Subjects
NUCLEAR magnetic resonance; QUANTITATIVE research; DRUG utilization; NUCLEAR magnetic resonance spectroscopy; ENVIRONMENTAL forensics; MEDICAL laws; TRADITIONAL medicine
- Publication
Magnetic Resonance in Chemistry, 2023, Vol 61, Issue 2, p95
- ISSN
0749-1581
- Publication type
Article
- DOI
10.1002/mrc.5265