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Forensic Analysis and Differentiation of Black Powder and Black Powder Substitute Chemical Signatures by Infrared Thermal Desorption-DART-MS.

ABSTRACT: The trace detection and forensic analysis of black powders and black powder substitutes, directly from wipe-based sample collections, was demonstrated using infrared thermal desorption (IRTD) coupled with direct analysis in real time mass spectrometry (DART-MS). Discrete 15 s heating ramps were generated, creating a thermal desorption profile that desorbed more volatile species (e.g., organic and semivolatile inorganic compounds) at lower temperatures (250-400 °C) and nonvolatile inorganic oxidizers at high temperatures (450-550 °C). Common inorganic components of black powders (e.g., sulfur and potassium nitrate) as well as the alternative and additional organic and inorganic components of common black powder substitutes (e.g., dicyandiamide, ascorbic acid, sodium benzoate, guanidine nitrate, and potassium perchlorate) were detected from polytetrafluoroethylene-coated fiberglass collection wipes with no additional sample preparation. IRTD-DART-MS enabled the direct detection of intact inorganic salt species as nitrate adducts (e.g., [KClO4+NO3]-) and larger clusters. The larger ion distributions generated by these complex mixtures were differentiated using principal component analysis (PCA) of the mass spectra generated at two points during the thermal desorption profile (low and high temperatures), as well as at high in-source collision-induced dissociation. The PCA framework generated by the analysis of the two black powders and five black powder substitutes was used to classify samples collected from a commercial firecracker containing both flash powder and black powder. The coupling of IRTD-DART-MS and multivariate statistics demonstrated the powerful utility for detection and discrimination of trace fuel-oxidizer mixtures.

SUBMITTER: Forbes TP

PROVIDER: S-EPMC6614743 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature

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Forensic Analysis and Differentiation of Black Powder and Black Powder Substitute Chemical Signatures by Infrared Thermal Desorption-DART-MS.

Forbes Thomas P TP Verkouteren Jennifer R JR

Analytical chemistry 20181214 1

The trace detection and forensic analysis of black powders and black powder substitutes, directly from wipe-based sample collections, was demonstrated using infrared thermal desorption (IRTD) coupled with direct analysis in real time mass spectrometry (DART-MS). Discrete 15 s heating ramps were generated, creating a thermal desorption profile that desorbed more volatile species (e.g., organic and semivolatile inorganic compounds) at lower temperatures (250-400 °C) and nonvolatile inorganic oxidi ...[more]

PMID: 30516959

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Project description:Ambient ionization mass spectrometry is gaining momentum in forensic science laboratories because of its high speed of analysis, minimal sample preparation, and information-rich results. One such application of ambient ionization methodology includes the analysis of writing inks from questioned documents where colorants of interest may not be soluble in common solvents, rendering thin layer chromatography (TLC) and separation-mass spectrometry methods such as LC/MS (-MS) impractical. Ambient ionization mass spectrometry uses a variety of ionization techniques such as penning ionization in Direct Analysis in Real Time (DART), and atmospheric pressure chemical ionization in Direct Sample Analysis (DSA), and electrospray ionization in Desorption Electrospray Ionization (DESI). In this manuscript, two of the commonly used ambient ionization techniques are compared: Perkin Elmer DSA-MS and IonSense DART in conjunction with a JEOL AccuTOF MS. Both technologies were equally successful in analyzing writing inks and produced similar spectra. DSA-MS produced less background signal likely because of its closed source configuration; however, the open source configuration of DART-MS provided more flexibility for sample positioning for optimum sensitivity and thereby allowing smaller piece of paper containing writing ink to be analyzed. Under these conditions, the minimum sample required for DART-MS was 1mm strokes of ink on paper, whereas DSA-MS required a minimum of 3mm. Moreover, both techniques showed comparable repeatability. Evaluation of the analytical figures of merit, including sensitivity, linear dynamic range, and repeatability, for DSA-MS and DART-MS analysis is provided. To the forensic context of the technique, DART-MS was applied to the analysis of United States Secret Service ink samples directly on a sampling mesh, and the results were compared with DSA-MS of the same inks on paper. Unlike analysis using separation mass spectrometry, which requires sample preparation, both DART-MS and DSA-MS successfully analyzed writing inks with minimal sample preparation.

Dataset Information

Forensic Analysis and Differentiation of Black Powder and Black Powder Substitute Chemical Signatures by Infrared Thermal Desorption-DART-MS.

Publications

Forensic Analysis and Differentiation of Black Powder and Black Powder Substitute Chemical Signatures by Infrared Thermal Desorption-DART-MS.

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