TY - JOUR
T1 - Comparative study of the analysis of seized samples by GC-MS, 1H NMR and FT-IR spectroscopy within a Night-Time Economy (NTE) setting
AU - Dixon, David I.
AU - Antonides, Lysbeth H.
AU - Costello, Andrew
AU - Crane, Benjamin
AU - Embleton, Arran
AU - Fletcher, Mark L.
AU - Gilbert, Nicolas
AU - Hulme, Matthew C.
AU - James, Molly J.
AU - Lever, Michael A.
AU - MacCallum, Conner J.
AU - Millea, Molly F.
AU - Pimlott, Jessica L.
AU - Robertson, Thomas B. R.
AU - Rudge, Nathan E.
AU - Schofield, Christopher J.
AU - Zukowicz, Filip
AU - Kemsley, E. Kate
AU - Sutcliffe, Oliver B.
AU - Mewis, Ryan E.
N1 - Funding Information: O.B.S. and R.E.M. wish to thank Manchester Metropolitan University and Oxford Instruments for the provision of a match funded studentship for M.C.H. Manchester Metropolitan University is also thanked for a Vice-Chancellor Studentship for T.B.R.R. The Natural Sciences and Engineering Research Council of Canada (396154510) and Fonds de Recherche du queuébec - Nature et Technologie (206375) are thanked for funding N.G.
PY - 2022/9/20
Y1 - 2022/9/20
N2 - Rapid analysis of surrendered or seized drug samples provides important intelligence for health (e.g. treatment or harm reduction), and custodial services. Herein, three in-situ techniques, GC-MS, 1H NMR and FT-IR spectroscopy, with searchable libraries, are used to analyse 318 samples qualitatively, using technique specific library-based searches, obtained over the period 24th – 29th August 2019. 259 samples were identified as consisting of a single component, of which cocaine was the most prevalent (n = 158). Median match scores for all three techniques were ≥ 0.84 and showed agreement except for metformin (n = 1), oxandrolone (identified as vitamin K by IR (n = 4)), diazepam (identified as zolpidem by FT-IR (n = 2)) and 2-Br-4,5-DMPEA (n = 1), a structural isomer of 2C-B identified as a polymer of cellulose (cardboard) by FT-IR. 51 samples were found to consist of two or more components, of which 49 were adulterated cocaine samples (45 binary and 4 tertiary samples). GC-MS identified all components present in the 49 adulterated cocaine samples, whereas IR identified only cocaine in 88 % of cases (adulterant only = 12 %). The breakdown for 1H NMR spectroscopy was all components identified (51 %), cocaine only (33 %), adulterant only (10 %), cocaine and one adulterant (tertiary mixtures only, 6 %).
AB - Rapid analysis of surrendered or seized drug samples provides important intelligence for health (e.g. treatment or harm reduction), and custodial services. Herein, three in-situ techniques, GC-MS, 1H NMR and FT-IR spectroscopy, with searchable libraries, are used to analyse 318 samples qualitatively, using technique specific library-based searches, obtained over the period 24th – 29th August 2019. 259 samples were identified as consisting of a single component, of which cocaine was the most prevalent (n = 158). Median match scores for all three techniques were ≥ 0.84 and showed agreement except for metformin (n = 1), oxandrolone (identified as vitamin K by IR (n = 4)), diazepam (identified as zolpidem by FT-IR (n = 2)) and 2-Br-4,5-DMPEA (n = 1), a structural isomer of 2C-B identified as a polymer of cellulose (cardboard) by FT-IR. 51 samples were found to consist of two or more components, of which 49 were adulterated cocaine samples (45 binary and 4 tertiary samples). GC-MS identified all components present in the 49 adulterated cocaine samples, whereas IR identified only cocaine in 88 % of cases (adulterant only = 12 %). The breakdown for 1H NMR spectroscopy was all components identified (51 %), cocaine only (33 %), adulterant only (10 %), cocaine and one adulterant (tertiary mixtures only, 6 %).
KW - Drug detection
KW - FT-IR
KW - GC-MS
KW - Harm reduction
KW - NMR
UR - http://www.scopus.com/inward/record.url?scp=85135121339&partnerID=8YFLogxK
U2 - 10.1016/j.jpba.2022.114950
DO - 10.1016/j.jpba.2022.114950
M3 - Article
C2 - 35914505
AN - SCOPUS:85135121339
VL - 219
JO - Journal of Pharmaceutical and Biomedical Analysis
JF - Journal of Pharmaceutical and Biomedical Analysis
SN - 0731-7085
M1 - 114950
ER -