Applications of a transportable Raman spectrometer for the in situ detection of controlled substances at border controls

Weyermann, Céline; Mimoune, Y.; Anglada, Frédéric; Massonnet, Geneviève; Esseiva, Pierre; Buzzini, Patrick

doi:10.1016/j.forsciint.2010.11.027

Cited by 46 publications

(37 citation statements)

References 17 publications

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“…Identification of the provenience of a drug is of considerable interest from a forensic point of view and for legal matters. The purity and quality vary due to the illegality and lack of control of the market [8]. Medicaments on the market may in particular contain mixtures of S-(+)-isomer and R-(-)-isomeric forms-in varying amounts of one species with respect to the other-a matter that could influence the activity of the sample when used.…”

Section: Introductionmentioning

confidence: 99%

Raman Optical Activity and Raman Spectra of Amphetamine Species—Quantum Chemical Model Calculations and Experiments

Berg¹,

Shim²,

White³

et al. 2012

AJAC

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Theoretical calculations and preliminary measurements of vibrational Raman optical activity (ROA) spectra of different species of amphetamine (amphetamine and amphetamine-H + ) are reported for the first time. The quantum chemical calculations were carried out as hybrid ab initio DFT-molecular orbital calculations by use of the Gaussian 03W program, based on complete geometry minimizations of the conformational energy of the S-(+)-amphetamine molecule, the S-(+)-amphetamine-H + ion, and the R-(-)-amphetamine molecule. Following this, harmonic frequency calculations have been made, providing information about the cation vibrational bands, expected in salts of single anions (chlorides) as well as in salts of anions with internal bonds (sulfates, hydrogen phosphates, etc.). It shows that the kind of anion should be given better attention, as so far it has often not been the case, when the spectra are employed for identification purposes. The DFT calculations show that the most stable conformations are those allowing for close contact between the aromatic ring and the amine hydrogen atoms. The internal rotational barrier within the same amphetamine enantiomer has a considerable influence on the Raman and ROA spectra. As predicted the experimental ROA spectra were found to depend on the chirality. Two street samples, provided by the London Police, were also measured and compared to the calculated ROA spectra. The street samples were found to contain different enantiomers of the protonated amphetamine-H + sulfate. According to the present study the AMPH + ion in aqueous sulfate solution seems to adopt a conformation in which the phenyl and ammonium groups are in transpositions, similar to what has been found in the solid state.

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Section: Introductionmentioning

confidence: 99%

Raman Optical Activity and Raman Spectra of Amphetamine Species—Quantum Chemical Model Calculations and Experiments

Berg¹,

Shim²,

White³

et al. 2012

AJAC

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“…ATR-FT-IR is also a rapid technique and uses smaller sample amounts (i.e., a few milligrams) than the other two techniques, yet sample recovery is oen difficult when cleaning the internal reection element (IRE) between uses. A number of studies report on the use of portable ATR-FT-IR and Raman instruments for the identica-tion of drugs of abuse; [35][36][37][38][39] however, these are mainly limited to classical drugs of abuse such as heroin, cocaine and amphetamine. Mabbott et al showed the feasibility of using surface enhanced Raman scattering (SERS) with a portable Raman instrument for the detection of pure mephedrone.…”

Section: Introductionmentioning

confidence: 99%

Analysis of ‘legal high’ substances and common adulterants using handheld spectroscopic techniques

et al. 2015

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The identification of 'legal highs' is challenging as they often do not match their label claim and contain a wide range of impurities and/or adulterants. In addition, there is a need for techniques to be on-site, rapid and non-destructive. The feasibility of using the in-built algorithms of handheld near-infrared (NIR), Raman and attenuated total reflectance Fourier transform-infrared (ATR-FT-IR) spectroscopy for the identification of 'legal high' substances was investigated. Spectral libraries were constructed using three substances found in 'legal highs' (i.e., dextromethorphan, 2-aminoindane and lidocaine) and their 50 : 50 mixtures with caffeine. Model dilution mixtures with caffeine (i.e., 5-95% m/m) and seven 'legal high' Internet products were used to test the method. The 'legal high' constituents in most of the model mixtures were identified within a minimum range of 30-60% m/m for NIR, 20-75% m/m for Raman, and 41-85% m/m for ATR-FT-IR. This demonstrates that simple library mixtures could be used to identify test substances when the concentrations are variable. Below and above these levels, the test mixtures often correlated to the component in higher concentration. Collectively, the instruments identified the main constituents in the seven Internet products with varying correlation criteria. The NIR and ATR-FT-IR provided complementary information compared to Raman when carbohydrate cutting agents were added to the product, yet the Raman showed a high fluorescence signal for three products hindering identification.These initial studies indicate the suitability of three complementary techniques for rapid identification of 'legal high' products. Further development of spectral libraries, algorithms, and use of alternative Raman excitation wavelengths is needed to provide adequate tools for in-field analysis by non-experts.

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“…In fact, these systems have been used to analyze samples of forensic interest such as gasoline, explosives or abuse drugs [11,17,18]. However, various factors may influence the results such as the focalization of the laser beam, the daylight and artificial light sources (i.e., neon light), and the color and thickness of the container [19]. In fact, the color of the glass represents a challenge due to the fluorescence originated from some surface materials [20].…”

Section: Introductionmentioning

confidence: 99%

Analysis of pre-ignited improvised incendiary devices using portable Raman

Martín-Alberca

Lopez‐López

García-Ruiz

2015

Talanta

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Applications of a transportable Raman spectrometer for the in situ detection of controlled substances at border controls

Cited by 46 publications

References 17 publications

Raman Optical Activity and Raman Spectra of Amphetamine Species—Quantum Chemical Model Calculations and Experiments

Raman Optical Activity and Raman Spectra of Amphetamine Species—Quantum Chemical Model Calculations and Experiments

Analysis of ‘legal high’ substances and common adulterants using handheld spectroscopic techniques

Analysis of pre-ignited improvised incendiary devices using portable Raman

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