Comprehensive two-dimensional gas chromatography in forensic science: A critical review of recent trends

Abstract Comprehensive two-dimensional gas chromatography (GC × GC) has become accepted as one of the most powerful separation techniques in several application areas. In forensic investigations, however, it has not yet been entirely established due to limitations regarding standardized methodology, data interpretation and consistency of results. Nevertheless, GC × GC allows for target analysis, compound class analysis and chemical fingerprinting of samples and is therefore increasingly applied in forensic analytics. In this review, recent and significant advances in GC × GC for application to forensic studies including human scent, arson investigations, security-relevant substances and environmental forensics are discussed. The discussion includes a brief overview of the latest trends and evolutions with regard to the various forensic applications and data evaluation as well as limitations. This leads to the conclusion that the full potential of the comprehensive data sets can only be achieved by implementing standardized analysis and data processing methods.

[1]  S. Brantley,et al.  Evaluating a groundwater supply contamination incident attributed to Marcellus Shale gas development , 2015, Proceedings of the National Academy of Sciences.

[2]  A. J. Webb,et al.  Fate of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX) on soil following accelerant-based fire and liquid decontamination , 2014, Analytical and Bioanalytical Chemistry.

[3]  I. Valterová,et al.  Qualitative analyses of less-volatile organic molecules from female skin scents by comprehensive two dimensional gas chromatography-time of flight mass spectrometry. , 2017, Journal of chromatography. A.

[4]  R. Jacques,et al.  Characterization of naphthenic acids using mass spectroscopy and chromatographic techniques: study of technical mixtures , 2014 .

[5]  S. Grabherr,et al.  A minimally-invasive method for profiling volatile organic compounds within postmortem internal gas reservoirs , 2017, International Journal of Legal Medicine.

[6]  Christophe Champod,et al.  Scientific Evidence in Europe -- Admissibility, Evaluation and Equality of Arms , 2011 .

[7]  Jack Cochran,et al.  Comprehensive characterization of the halogenated dibenzo-p-dioxin and dibenzofuran contents of residential fire debris using comprehensive two-dimensional gas chromatography coupled to time of flight mass spectrometry. , 2014, Journal of chromatography. A.

[8]  Katie D. Nizio,et al.  Comparison of the Decomposition VOC Profile during Winter and Summer in a Moist, Mid-Latitude (Cfb) Climate , 2014, PloS one.

[9]  P. Armstrong,et al.  Establishing the volatile profile of pig carcasses as analogues for human decomposition during the early postmortem period , 2016, Heliyon.

[10]  L. Dujourdy,et al.  Multidimensional analysis of cannabis volatile constituents: identification of 5,5-dimethyl-1-vinylbicyclo[2.1.1]hexane as a volatile marker of hashish, the resin of Cannabis sativa L. , 2014, Journal of chromatography. A.

[11]  J. Vial,et al.  Human odor and forensics. Optimization of a comprehensive two-dimensional gas chromatography method based on orthogonality: How not to choose between criteria. , 2017, Journal of chromatography. A.

[12]  Katie D. Nizio,et al.  Achieving a Near-Theoretical Maximum in Peak Capacity Gain for the Forensic Analysis of Ignitable Liquids Using GC×GC-TOFMS , 2016 .

[13]  Pierre‐Hugues Stefanuto,et al.  GC × GC–TOFMS and supervised multivariate approaches to study human cadaveric decomposition olfactive signatures , 2015, Analytical and Bioanalytical Chemistry.

[14]  Christoph Aeppli,et al.  Recalcitrance and degradation of petroleum biomarkers upon abiotic and biotic natural weathering of Deepwater Horizon oil. , 2014, Environmental science & technology.

[15]  J. Huisman,et al.  First day of an oil spill on the open sea: early mass transfers of hydrocarbons to air and water. , 2014, Environmental science & technology.

[16]  M. Statheropoulos,et al.  Analysis of volatile organic compounds released from the decay of surrogate human models simulating victims of collapsed buildings by thermal desorption-comprehensive two-dimensional gas chromatography-time of flight mass spectrometry. , 2015, Analytica chimica acta.

[17]  P. Marchand,et al.  Effects of pan cooking on micropollutants in meat. , 2017, Food chemistry.

[18]  Stephen E Reichenbach,et al.  Non-targeted analysis of electronics waste by comprehensive two-dimensional gas chromatography combined with high-resolution mass spectrometry: Using accurate mass information and mass defect analysis to explore the data. , 2015, Journal of chromatography. A.

[19]  Karl J. Jobst,et al.  A review of the determination of persistent organic pollutants for environmental forensics investigations. , 2016, Analytica chimica acta.

[20]  Maiken Ueland,et al.  The analysis of textiles associated with decomposing remains as a natural training aid for cadaver-detection dogs , 2017 .

[21]  A. Casilli,et al.  Thermodynamic-based retention time predictions of endogenous steroids in comprehensive two-dimensional gas chromatography , 2015, Analytical and Bioanalytical Chemistry.

[22]  R. Lewison,et al.  Identifying Bioaccumulative Halogenated Organic Compounds Using a Nontargeted Analytical Approach: Seabirds as Sentinels , 2015, PloS one.

[23]  John B. Phillips,et al.  Comprehensive Two-Dimensional Gas Chromatography using an On-Column Thermal Modulator Interface , 1991 .

[24]  J. Harynuk,et al.  The analysis of alkyl phosphates in nitrogen-rich crude oils using GC × GC-NPD with a polar/apolar column configuration , 2017 .

[25]  Tadeusz Górecki,et al.  The quantification of short-chain chlorinated paraffins in sediment samples using comprehensive two-dimensional gas chromatography with μECD detection , 2017, Analytical and Bioanalytical Chemistry.

[26]  B. McCarry,et al.  Improved coverage of naphthenic acid fraction compounds by comprehensive two-dimensional gas chromatography coupled with high resolution mass spectrometry. , 2017, Journal of chromatography. A.

[27]  Yongning Wu,et al.  Health risks posed to infants in rural China by exposure to short- and medium-chain chlorinated paraffins in breast milk. , 2017, Environment international.

[28]  B. Stuart,et al.  Exploring new dimensions in cadaveric decomposition odour analysis , 2015 .

[29]  A. Fushimi,et al.  Selective and comprehensive analysis of organohalogen compounds by GC × GC–HRTofMS and MS/MS , 2015, Environmental Science and Pollution Research.

[30]  J. Amigo,et al.  Resolution of co-eluting compounds of Cannabis Sativa in comprehensive two-dimensional gas chromatography/mass spectrometry detection with Multivariate Curve Resolution-Alternating Least Squares. , 2014, Talanta.

[31]  B. Stuart,et al.  Detection of decomposition volatile organic compounds in soil following removal of remains from a surface deposition site , 2015, Forensic Science, Medicine, and Pathology.

[32]  Pierre‐Hugues Stefanuto,et al.  GC×GC-TOFMS, the Swiss Knife for VOC Mixtures Analysis in Soil Forensic Investigations , 2016 .

[33]  P. Schoenmakers,et al.  Towards chemical profiling of ignitable liquids with comprehensive two-dimensional gas chromatography: Exploring forensic application to neat white spirits. , 2016, Forensic science international.

[34]  J. de Boer,et al.  Distribution of 2,3,7,8-substituted polychlorinated dibenzo-p-dioxin and polychlorinated dibenzofurans in the Jukskei and Klip/Vaal catchment areas in South Africa. , 2016, Chemosphere.

[35]  S. Rowland,et al.  Structural identification of petroleum acids by conversion to hydrocarbons and multidimensional gas chromatography-mass spectrometry. , 2015, Analytical chemistry.

[36]  K. Perrault,et al.  Profiling the decomposition odour at the grave surface before and after probing. , 2016, Forensic science international.

[37]  J. S. Arey,et al.  Mapping environmental partitioning properties of nonpolar complex mixtures by use of GC × GC. , 2014, Environmental science & technology.

[38]  L. Wackett,et al.  Biodegradation in Waters from Hydraulic Fracturing: Chemistry, Microbiology, and Engineering , 2014 .

[39]  S. Rowland,et al.  Bicyclic naphthenic acids in oil sands process water: identification by comprehensive multidimensional gas chromatography-mass spectrometry. , 2015, Journal of chromatography. A.

[40]  J. S. Arey,et al.  Elevated Concentrations of 4-Bromobiphenyl and 1,3,5-Tribromobenzene Found in Deep Water of Lake Geneva Based on GC×GC-ENCI-TOFMS and GC×GC-μECD , 2017, ACS omega.

[41]  Pierre‐Hugues Stefanuto,et al.  Characterizing decomposition odor from soil and adipocere samples at a death scene using HS-SPME-GC×GC-HRTOFMS , 2018 .

[42]  Catherine A. Carmichael,et al.  Resolving biodegradation patterns of persistent saturated hydrocarbons in weathered oil samples from the Deepwater Horizon disaster. , 2014, Environmental science & technology.

[43]  Guorui Liu,et al.  Simultaneous analysis of polychlorinated biphenyls and polychlorinated naphthalenes by isotope dilution comprehensive two-dimensional gas chromatography high-resolution time-of-flight mass spectrometry. , 2016, Analytica chimica acta.

[44]  J. Hollender,et al.  GC×GC Quantification of Priority and Emerging Nonpolar Halogenated Micropollutants in All Types of Wastewater Matrices: Analysis Methodology, Chemical Occurrence, and Partitioning. , 2015, Environmental science & technology.

[45]  M. Sjerps,et al.  Local Ion Signatures (LIS) for the examination of comprehensive two-dimensional gas chromatography applied to fire debris analysis , 2017 .

[46]  L. Debrauwer,et al.  Assessment of comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry based methods for investigating 206 dioxin-like micropollutants in animal-derived food matrices. , 2015, Journal of chromatography. A.

[47]  M. Pütz,et al.  Characterization of a heroin manufacturing process based on acidic extracts by combining complementary information from two-dimensional gas chromatography and high resolution mass spectrometry , 2017 .

[48]  K. Peru,et al.  Advances in mass spectrometric characterization of naphthenic acids fraction compounds in oil sands environmental samples and crude oil--A review. , 2016, Mass spectrometry reviews.

[49]  M. Sjerps,et al.  Forensic potential of comprehensive two-dimensional gas chromatography , 2016 .

[50]  Pierre‐Hugues Stefanuto,et al.  Reading Cadaveric Decomposition Chemistry with a New Pair of Glasses , 2014 .

[51]  S. Rowland,et al.  Naphthenic acids in oil sands process waters: Identification by conversion of the acids or esters to hydrocarbons , 2018 .

[52]  Pierre‐Hugues Stefanuto,et al.  Fast Chromatographic Method for Explosive Profiling , 2015 .

[53]  Pierre‐Hugues Stefanuto,et al.  Thermal desorption comprehensive two-dimensional gas chromatography coupled to variable-energy electron ionization time-of-flight mass spectrometry for monitoring subtle changes in volatile organic compound profiles of human blood. , 2017, Journal of chromatography. A.

[54]  S. Rowland,et al.  Class Type Separation of the Polar and Apolar Components of Petroleum. , 2017, Analytical chemistry.

[55]  S. Socolofsky,et al.  Simulating Gas-Liquid-Water Partitioning and Fluid Properties of Petroleum under Pressure: Implications for Deep-Sea Blowouts. , 2016, Environmental science & technology.

[56]  J. Giddings Two-dimensional separations: concept and promise. , 1984, Analytical chemistry.

[57]  S. Grabherr,et al.  Postmortem Internal Gas Reservoir Monitoring Using GC×GC-HRTOF-MS , 2016 .

[58]  M. Zheng,et al.  Separation and screening of short-chain chlorinated paraffins in environmental samples using comprehensive two-dimensional gas chromatography with micro electron capture detection , 2014, Analytical and Bioanalytical Chemistry.

[59]  B. Stuart,et al.  Reducing variation in decomposition odour profiling using comprehensive two-dimensional gas chromatography. , 2015, Journal of separation science.

[60]  Kelsey L. Berrier,et al.  Multidimensional Gas Chromatography: Advances in Instrumentation, Chemometrics, and Applications. , 2018, Analytical chemistry.

[61]  R. Zimmermann,et al.  Non-Targeted chemical characterization of a Marcellus shale gas well through GC × GC with scripting algorithms and high-resolution time-of-flight mass spectrometry , 2018 .

[62]  B. Stuart,et al.  Seasonal comparison of carrion volatiles in decomposition soil using comprehensive two-dimensional gas chromatography-time of flight mass spectrometry , 2015 .

[63]  S. Liss,et al.  A routine accredited method for the analysis of polychlorinated biphenyls, organochlorine pesticides, chlorobenzenes and screening of other halogenated organics in soil, sediment and sludge by GCxGC-μECD , 2011, Analytical and bioanalytical chemistry.

[64]  Robert K. Nelson,et al.  Interpreting comprehensive two-dimensional gas chromatography using peak topography maps with application to petroleum forensics , 2016, Chemistry Central Journal.

[65]  Maiken Ueland,et al.  Forensic decomposition odour profiling: A review of experimental designs and analytical techniques , 2017 .

[66]  Chia-Wei Tsai,et al.  Exploring the analysis and differentiation of plastic explosives by comprehensive multidimensional gas chromatography-mass spectrometry (GC × GC–MS) with a statistical approach , 2017 .