Development of gas chromatographic pattern recognition and classification tools for compliance and forensic analyses of fuels: A review

Sudol, Paige E.; Pierce, Karisa M.; Prebihalo, Sarah E.; Skogerboe, Kristen J.; Wright, Bob W.; Synovec, Robert E.

doi:10.1016/j.aca.2020.07.027

Development of gas chromatographic pattern recognition and classification tools for compliance and forensic analyses of fuels: A review

Journal Article · Thu Jul 30 00:00:00 EDT 2020 · Analytica Chimica Acta

DOI:https://doi.org/10.1016/j.aca.2020.07.027· OSTI ID:1668702

Sudol, Paige E. ^[1]; ^[2]; Prebihalo, Sarah E. ^[1]; Skogerboe, Kristen J. ^[3]; Wright, Bob W. ^[4]; ^[1]

Univ. of Washington, Seattle, WA (United States)
Seattle Pacific Univ., WA (United States)
Seattle Univ., WA (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Gas chromatography (GC) is undoubtedly the analytical technique of choice for analyzing the composition of petroleum-based fuels. Over the past twenty years, as comprehensive two-dimensional gas chromatography (GC×GC) has evolved, fuel analysis has often been highlighted in scientific reports, as their complexity allows for illustration of the impressive peak capacity gains afforded by GC×GC. Indeed, several research groups in recent years have applied GC×GC and chemometrics to demonstrate the potential of these analytical tools to address important compliance (tax evasion, tax credits, physical quality standards) and forensic (arson investigations, oil spills) applications involving fuels. None the less, routine use of GC×GC in forensic laboratories has been limited largely by (1) legal and regulatory guidelines, (2) lack of chemometrics training, and (3) concerns about the reproducibility of GC×GC. The goal of this review is to highlight recent advances in one-dimensional GC (1D-GC) and GC×GC analyses of fuels for compliance and forensic applications, in an effort to assist scientists in overcoming the aforementioned hindrances. An introduction to 1D-GC principles, GC×GC technology (column stationary phases and modulators) and several chemometric techniques will be provided. More specifically, chemometric techniques will be broken down into (1) signal pre-processing, (2) peak decomposition, identification and quantification, and (3) classification and pattern recognition. Examples of compliance and forensic applications will be discussed, with particular emphasis on the demonstrated success of the employed chemometric techniques. Overall, this review will hopefully make 1D-GC and GC×GC coupled with chemometric data analysis tools more accessible to the larger scientific community, and aid in eventual widespread standardization.

View Accepted Manuscript (DOE)

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1668702

Alternate ID(s):: OSTI ID: 1809112

Report Number(s):: PNNL-SA--151027

Journal Information:: Analytica Chimica Acta, Journal Name: Analytica Chimica Acta Vol. 1132; ISSN 0003-2670

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (204)

Multiway calibration. Multilinear PLS Bro, Rasmus Journal of Chemometrics, Vol. 10, Issue 1 https://doi.org/10.1002/(SICI)1099-128X(199601)10:1<47::AID-CEM400>3.0.CO;2-C	journal	January 1996
Thermal modulation: A chemical instrumentation component of potential value in improving portability Phillips, John B.; Ledford, Edward B. Field Analytical Chemistry & Technology, Vol. 1, Issue 1 https://doi.org/10.1002/(SICI)1520-6521(1996)1:1<23::AID-FACT4>3.0.CO;2-F	journal	January 1996
Jet-Cooled Thermal Modulator for Comprehensive Multidimensional Gas Chromatography Ledford, Edward B.; Billesbach, Chris Journal of High Resolution Chromatography, Vol. 23, Issue 3 https://doi.org/10.1002/(SICI)1521-4168(20000301)23:3<202::AID-JHRC202>3.0.CO;2-5	journal	March 2000
Fuzzy multivariate rule-building expert systems: Minimal neural networks Harrington, Peter B. Journal of Chemometrics, Vol. 5, Issue 5 https://doi.org/10.1002/cem.1180050506	journal	September 1991
Speciation of nitrogen-containing compounds in diesel fuel by comprehensive two-dimensional gas chromatography Wang, Frank Cheng-Yu; Robbins, Winston K.; Greaney, Mark A. Journal of Separation Science, Vol. 27, Issue 5-6 https://doi.org/10.1002/jssc.200301643	journal	April 2004
Characterization of biodiesel and biodiesel blends using comprehensive two-dimensional gas chromatography Tiyapongpattana, Warawut; Wilairat, Prapin; Marriott, Philip J. Journal of Separation Science, Vol. 31, Issue 14 https://doi.org/10.1002/jssc.200800234	journal	August 2008
Accumulating resampling (modulation) in comprehensive two-dimensional capillary GC (GC×GC) Blumberg, Leonid M. Journal of Separation Science, Vol. 31, Issue 19 https://doi.org/10.1002/jssc.200800424	journal	September 2008
Quantification of nitrogen compounds in diesel fuel samples by comprehensive two-dimensional gas chromatography coupled with quadrupole mass spectrometry: Gas Chromatography Maciel, Gabriela P. S.; Machado, Maria E.; da Cunha, Michele E. Journal of Separation Science, Vol. 38, Issue 23 https://doi.org/10.1002/jssc.201500011	journal	November 2015
Quantification of trace fatty acid methyl esters in diesel fuel by using multidimensional gas chromatography with electron and chemical ionization mass spectrometry: Gas Chromatography Webster, R. L.; Rawson, P. M.; Evans, D. J. Journal of Separation Science, Vol. 39, Issue 13 https://doi.org/10.1002/jssc.201600307	journal	June 2016
High-speed gas chromatography using an on-column thermal desorption modulator Liu, Zaiyou; Phillips, John B. Journal of Microcolumn Separations, Vol. 1, Issue 5 https://doi.org/10.1002/mcs.1220010508	journal	September 1989
A new technique for heart cutting in gas chromatography [1] Deans, D. R. Chromatographia, Vol. 1, Issue 1-2 https://doi.org/10.1007/BF02259005	journal	January 1968
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 Muscalu, Alina M.; Reiner, Eric J.; Liss, Steven N. Analytical and Bioanalytical Chemistry, Vol. 401, Issue 8 https://doi.org/10.1007/s00216-011-5114-0	journal	June 2011
Solving chromatographic challenges in comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry using multivariate curve resolution–alternating least squares Parastar, Hadi; Radović, Jagoš R.; Bayona, Josep M. Analytical and Bioanalytical Chemistry, Vol. 405, Issue 19 https://doi.org/10.1007/s00216-013-7067-y	journal	June 2013
Detection of discoloration in diesel fuel based on gas chromatographic fingerprints Krakowska, Barbara; Stanimirova, Ivana; Orzel, Joanna Analytical and Bioanalytical Chemistry, Vol. 407, Issue 4 https://doi.org/10.1007/s00216-014-8332-4	journal	November 2014
Thermogravimetric study of kerosene-doped gasoline Fonseca, M. M.; Yoshida, M. I.; Fortes, I. C. P. Journal of Thermal Analysis and Calorimetry, Vol. 87, Issue 2 https://doi.org/10.1007/s10973-005-7457-2	journal	November 2006
Partial least-squares regression: a tutorial Geladi, Paul; Kowalski, Bruce R. Analytica Chimica Acta, Vol. 185 https://doi.org/10.1016/0003-2670(86)80028-9	journal	January 1986
Principal component analysis Wold, Svante; Esbensen, Kim; Geladi, Paul Chemometrics and Intelligent Laboratory Systems, Vol. 2, Issue 1-3 https://doi.org/10.1016/0169-7439(87)80084-9	journal	August 1987
Interpretation of latent-variable regression models Kvalheim, Olav M.; Karstang, Terje V. Chemometrics and Intelligent Laboratory Systems, Vol. 7, Issue 1-2 https://doi.org/10.1016/0169-7439(89)80110-8	journal	December 1989
Combined capillary gas chromatography/ion trap mass spectrometry quantitative methods using labeled or unlabeled internal standards Strife, R. J.; Simms, J. R.; Lacey, M. P. Journal of the American Society for Mass Spectrometry, Vol. 1, Issue 3 https://doi.org/10.1016/1044-0305(90)85044-M	journal	May 1990
Accelerant classification by gas chromatography/mass spectrometry and multivariate pattern recognition Tan, Beijing; Hardy, James K.; Snavely, Ralph E. Analytica Chimica Acta, Vol. 422, Issue 1 https://doi.org/10.1016/S0003-2670(00)01050-3	journal	October 2000
High-speed peak matching algorithm for retention time alignment of gas chromatographic data for chemometric analysis Johnson, Kevin J.; Wright, Bob W.; Jarman, Kristin H. Journal of Chromatography A, Vol. 996, Issue 1-2 https://doi.org/10.1016/S0021-9673(03)00616-2	journal	May 2003
Chemometric approach for the resolution and quantification of unresolved peaks in gas chromatography–selected-ion mass spectrometry data Fraga, Carlos G. Journal of Chromatography A, Vol. 1019, Issue 1-2 https://doi.org/10.1016/S0021-9673(03)01329-3	journal	November 2003
Aligning of single and multiple wavelength chromatographic profiles for chemometric data analysis using correlation optimised warping Nielsen, Niels-Peter Vest; Carstensen, Jens Michael; Smedsgaard, Jørn Journal of Chromatography A, Vol. 805, Issue 1-2 https://doi.org/10.1016/S0021-9673(98)00021-1	journal	May 1998
The N-way Toolbox for MATLAB Andersson, Claus A.; Bro, Rasmus Chemometrics and Intelligent Laboratory Systems, Vol. 52, Issue 1 https://doi.org/10.1016/S0169-7439(00)00071-X	journal	August 2000
Pattern recognition of jet fuels: comprehensive GC×GC with ANOVA-based feature selection and principal component analysis Johnson, Kevin J.; Synovec, Robert E. Chemometrics and Intelligent Laboratory Systems, Vol. 60, Issue 1-2 https://doi.org/10.1016/S0169-7439(01)00198-8	journal	January 2002
PARAFAC. Tutorial and applications Bro, Rasmus Chemometrics and Intelligent Laboratory Systems, Vol. 38, Issue 2 https://doi.org/10.1016/S0169-7439(97)00032-4	journal	October 1997
A GC–MS database of target compound chromatograms for the identification of arson accelerants Lennard, C. J.; Tristan Rochaix, V.; Margot, P. Science & Justice, Vol. 35, Issue 1 https://doi.org/10.1016/S1355-0306(95)72624-7	journal	January 1995
Chemometric analysis of diesel fuel for forensic and environmental applications Hupp, Amber M.; Marshall, Lucas J.; Campbell, Dahlia I. Analytica Chimica Acta, Vol. 606, Issue 2 https://doi.org/10.1016/j.aca.2007.11.007	journal	January 2008
Multivariate curve resolution combined with gas chromatography to enhance analytical separation in complex samples: A review Hantao, Leandro Wang; Aleme, Helga Gabriela; Pedroso, Marcio Pozzobon Analytica Chimica Acta, Vol. 731 https://doi.org/10.1016/j.aca.2012.04.003	journal	June 2012
Quantitative analysis of biodiesel in blends of biodiesel and conventional diesel by comprehensive two-dimensional gas chromatography and multivariate curve resolution Mogollon, Noroska Gabriela Salazar; Ribeiro, Fabiana Alves de Lima; Lopez, Monica Mamian Analytica Chimica Acta, Vol. 796 https://doi.org/10.1016/j.aca.2013.07.071	journal	September 2013
Trilinearity deviation ratio: A new metric for chemometric analysis of comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry data Pinkerton, David K.; Parsons, Brendon A.; Anderson, Todd J. Analytica Chimica Acta, Vol. 871 https://doi.org/10.1016/j.aca.2015.02.040	journal	April 2015
Targeted analyte deconvolution and identification by four-way parallel factor analysis using three-dimensional gas chromatography with mass spectrometry data Watson, Nathanial E.; Prebihalo, Sarah E.; Synovec, Robert E. Analytica Chimica Acta, Vol. 983 https://doi.org/10.1016/j.aca.2017.06.017	journal	August 2017
Comprehensive GC × GC chromatography for the characterization of sulfur compound in fuels: A review Lorentz, Chantal; Laurenti, Dorothée; Zotin, José Luiz Catalysis Today, Vol. 292 https://doi.org/10.1016/j.cattod.2017.04.052	journal	September 2017
Comprehensive two-dimensional gas chromatography (GC×GC) retention time shift correction and modeling using bilinear peak alignment, correlation optimized shifting and multivariate curve resolution Parastar, Hadi; Jalali-Heravi, Mehdi; Tauler, Roma Chemometrics and Intelligent Laboratory Systems, Vol. 117 https://doi.org/10.1016/j.chemolab.2012.02.003	journal	August 2012
Assessing feature relevance in NPLS models by VIP Favilla, Stefania; Durante, Caterina; Vigni, Mario Li Chemometrics and Intelligent Laboratory Systems, Vol. 129 https://doi.org/10.1016/j.chemolab.2013.05.013	journal	November 2013
A MATLAB toolbox for Principal Component Analysis and unsupervised exploration of data structure Ballabio, Davide Chemometrics and Intelligent Laboratory Systems, Vol. 149 https://doi.org/10.1016/j.chemolab.2015.10.003	journal	December 2015
MCR-ALS with correlation constraint and Raman spectroscopy for identification and quantification of biofuels and adulterants in petroleum diesel Cordeiro Dantas, Willian Francisco; Laurentino Alves, Julio Cesar; Poppi, Ronei Jesus Chemometrics and Intelligent Laboratory Systems, Vol. 169 https://doi.org/10.1016/j.chemolab.2017.04.002	journal	October 2017
Valve-based comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometric detection: instrumentation and figures-of-merit Sinha, Amanda E.; Prazen, Bryan J.; Fraga, Carlos G. Journal of Chromatography A, Vol. 1019, Issue 1-2 https://doi.org/10.1016/j.chroma.2003.08.047	journal	November 2003
Comparison of conventional gas chromatography and comprehensive two-dimensional gas chromatography for the detailed analysis of petrochemical samples Vendeuvre, Colombe; Bertoncini, Fabrice; Duval, Laurent Journal of Chromatography A, Vol. 1056, Issue 1-2 https://doi.org/10.1016/j.chroma.2004.05.071	journal	November 2004
Classification of gasoline data obtained by gas chromatography using a piecewise alignment algorithm combined with feature selection and principal component analysis Pierce, Karisa M.; Hope, Janiece L.; Johnson, Kevin J. Journal of Chromatography A, Vol. 1096, Issue 1-2 https://doi.org/10.1016/j.chroma.2005.04.078	journal	November 2005
Classification of high-speed gas chromatography–mass spectrometry data by principal component analysis coupled with piecewise alignment and feature selection Watson, Nathanial E.; VanWingerden, Matthew M.; Pierce, Karisa M. Journal of Chromatography A, Vol. 1129, Issue 1 https://doi.org/10.1016/j.chroma.2006.06.087	journal	September 2006
Unsupervised parameter optimization for automated retention time alignment of severely shifted gas chromatographic data using the piecewise alignment algorithm Pierce, Karisa M.; Wright, Bob W.; Synovec, Robert E. Journal of Chromatography A, Vol. 1141, Issue 1 https://doi.org/10.1016/j.chroma.2006.11.101	journal	February 2007
Using comprehensive two-dimensional gas chromatography for the analysis of oxygenates in middle distillates Adam, Frédérick; Bertoncini, Fabrice; Coupard, Vincent Journal of Chromatography A, Vol. 1186, Issue 1-2 https://doi.org/10.1016/j.chroma.2007.12.063	journal	April 2008
Identification of gasoline adulteration using comprehensive two-dimensional gas chromatography combined to multivariate data processing Pedroso, Marcio Pozzobon; de Godoy, Luiz Antonio Fonseca; Ferreira, Ernesto Correa Journal of Chromatography A, Vol. 1201, Issue 2 https://doi.org/10.1016/j.chroma.2008.05.092	journal	August 2008
A flexible loop-type flow modulator for comprehensive two-dimensional gas chromatography Tranchida, Peter Quinto; Purcaro, Giorgia; Visco, Alessandro Journal of Chromatography A, Vol. 1218, Issue 21 https://doi.org/10.1016/j.chroma.2010.11.082	journal	May 2011
Prediction of the physicochemical properties of gasoline by comprehensive two-dimensional gas chromatography and multivariate data processing de Godoy, Luiz Antonio Fonseca; Pedroso, Marcio Pozzobon; Ferreira, Ernesto Correa Journal of Chromatography A, Vol. 1218, Issue 12 https://doi.org/10.1016/j.chroma.2011.01.056	journal	March 2011
Development of a new consumable-free thermal modulator for comprehensive two-dimensional gas chromatography Panić, Ognjen; Górecki, Tadeusz; McNeish, Christopher Journal of Chromatography A, Vol. 1218, Issue 20 https://doi.org/10.1016/j.chroma.2011.03.024	journal	May 2011
Stationary phase selection and comprehensive two-dimensional gas chromatographic analysis of trace biodiesel in petroleum-based fuel Seeley, John V.; Bates, Carly T.; McCurry, James D. Journal of Chromatography A, Vol. 1226 https://doi.org/10.1016/j.chroma.2011.07.075	journal	February 2012
Study of the interdependency of the data sampling ratio with retention time alignment and principal component analysis for gas chromatography Nadeau, Jeremy S.; Wilson, Ryan B.; Hoggard, Jamin C. Journal of Chromatography A, Vol. 1218, Issue 50 https://doi.org/10.1016/j.chroma.2011.10.031	journal	December 2011
Determination of vegetable oils and fats adulterants in diesel oil by high performance liquid chromatography and multivariate methods Brandão, Luiz Filipe Paiva; Braga, Jez Willian Batista; Suarez, Paulo Anselmo Ziani Journal of Chromatography A, Vol. 1225 https://doi.org/10.1016/j.chroma.2011.12.076	journal	February 2012
Overcoming the high-temperature two-dimensional gas chromatography limits to elute heavy compounds Mahé, Laure; Courtiade, Marion; Dartiguelongue, Cyril Journal of Chromatography A, Vol. 1229 https://doi.org/10.1016/j.chroma.2012.01.030	journal	March 2012
What can go wrong at the data normalization step for identification of biomarkers? Filzmoser, P.; Walczak, B. Journal of Chromatography A, Vol. 1362 https://doi.org/10.1016/j.chroma.2014.08.050	journal	October 2014
Analyte quantification with comprehensive two-dimensional gas chromatography: Assessment of methods for baseline correction, peak delineation, and matrix effect elimination for real samples Samanipour, Saer; Dimitriou-Christidis, Petros; Gros, Jonas Journal of Chromatography A, Vol. 1375 https://doi.org/10.1016/j.chroma.2014.11.049	journal	January 2015
Evaluation of conditions of comprehensive two-dimensional gas chromatography that yield a near-theoretical maximum in peak capacity gain Klee, Matthew S.; Cochran, Jack; Merrick, Mark Journal of Chromatography A, Vol. 1383 https://doi.org/10.1016/j.chroma.2015.01.031	journal	February 2015
Comparison of cryogenic and differential flow (forward and reverse fill/flush) modulators and applications to the analysis of heavy petroleum cuts by high-temperature comprehensive gas chromatography Duhamel, Chloé; Cardinael, Pascal; Peulon-Agasse, Valérie Journal of Chromatography A, Vol. 1387 https://doi.org/10.1016/j.chroma.2015.01.095	journal	March 2015
High temperature diaphragm valve-based comprehensive two-dimensional gas chromatography Freye, Chris E.; Mu, Lan; Synovec, Robert E. Journal of Chromatography A, Vol. 1424 https://doi.org/10.1016/j.chroma.2015.10.098	journal	December 2015
Crosslinked structurally-tuned polymeric ionic liquids as stationary phases for the analysis of hydrocarbons in kerosene and diesel fuels by comprehensive two-dimensional gas chromatography Zhang, Cheng; Park, Rodney A.; Anderson, Jared L. Journal of Chromatography A, Vol. 1440 https://doi.org/10.1016/j.chroma.2016.02.039	journal	April 2016
Chemical characterization of the acid alteration of diesel fuel: Non-targeted analysis by two-dimensional gas chromatography coupled with time-of-flight mass spectrometry with tile-based Fisher ratio and combinatorial threshold determination Parsons, Brendon A.; Pinkerton, David K.; Wright, Bob W. Journal of Chromatography A, Vol. 1440 https://doi.org/10.1016/j.chroma.2016.02.067	journal	April 2016
Argentation gas chromatography revisited: Separation of light olefin/paraffin mixtures using silver-based ionic liquid stationary phases Nan, He; Zhang, Cheng; Venkatesh, Amrit Journal of Chromatography A, Vol. 1523 https://doi.org/10.1016/j.chroma.2017.06.024	journal	November 2017
The multi-mode modulator: A versatile fluidic device for two-dimensional gas chromatography Seeley, John V.; Schimmel, Nicolaas E.; Seeley, Stacy K. Journal of Chromatography A, Vol. 1536 https://doi.org/10.1016/j.chroma.2017.06.030	journal	February 2018
Analysis of oxidised heavy paraffininc products by high temperature comprehensive two-dimensional gas chromatography Potgieter, H.; Bekker, R.; Beigley, J. Journal of Chromatography A, Vol. 1509 https://doi.org/10.1016/j.chroma.2017.06.046	journal	August 2017
Implications of phase ratio for maximizing peak capacity in comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry Parsons, Brendon A.; Pinkerton, David K.; Synovec, Robert E. Journal of Chromatography A, Vol. 1536 https://doi.org/10.1016/j.chroma.2017.07.018	journal	February 2018
Joint approximate diagonalization of eigenmatrices as a high-throughput approach for analysis of hyphenated and comprehensive two-dimensional gas chromatographic data Zarghani, Maryam; Parastar, Hadi Journal of Chromatography A, Vol. 1524 https://doi.org/10.1016/j.chroma.2017.09.060	journal	November 2017
Optimizing loop-type cryogenic modulation in comprehensive two-dimensional gas chromatography using time-variable combination of the dual-stage jets for analysis of crude oil Alexandrino, Guilherme L.; de Sousa, Gustavo R.; de A. M. Reis, Francisco Journal of Chromatography A, Vol. 1536 https://doi.org/10.1016/j.chroma.2017.10.054	journal	February 2018
Enhancing the chemical selectivity in discovery-based analysis with tandem ionization time-of-flight mass spectrometry detection for comprehensive two-dimensional gas chromatography Freye, Chris E.; Moore, Nicholas R.; Synovec, Robert E. Journal of Chromatography A, Vol. 1537 https://doi.org/10.1016/j.chroma.2018.01.008	journal	February 2018
Ultrafast separations via pulse flow valve modulation to enable high peak capacity multidimensional gas chromatography Bahaghighat, H. Daniel; Freye, Chris E.; Gough, Derrick V. Journal of Chromatography A, Vol. 1573 https://doi.org/10.1016/j.chroma.2018.08.001	journal	October 2018
Evolving window factor analysis-multivariate curve resolution with automated library matching for enhanced peak deconvolution in gas chromatography-mass spectrometry fuel data Cramer, Jeffrey A.; Hammond, Mark H.; Loegel, Thomas N. Journal of Chromatography A, Vol. 1581-1582 https://doi.org/10.1016/j.chroma.2018.11.002	journal	December 2018
Quantification of the composition of liquid hydrocarbon streams: Comparing the GC-VUV to DHA and GCxGC Dunkle, Melissa N.; Pijcke, Pascal; Winniford, Bill Journal of Chromatography A, Vol. 1587 https://doi.org/10.1016/j.chroma.2018.12.026	journal	February 2019
Investigating weathering in light diesel oils using comprehensive two-dimensional gas chromatography–High resolution mass spectrometry and pixel-based analysis: Possibilities and limitations Alexandrino, Guilherme L.; Malmborg, Jonas; Augusto, Fabio Journal of Chromatography A, Vol. 1591 https://doi.org/10.1016/j.chroma.2019.01.042	journal	April 2019
Impact of comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry experimental design on data trilinearity and parallel factor analysis deconvolution Prebihalo, Sarah E.; Pinkerton, David K.; Synovec, Robert E. Journal of Chromatography A, Vol. 1605 https://doi.org/10.1016/j.chroma.2019.460368	journal	November 2019
Dynamic pressure gradient modulation for comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry detection Schöneich, Sonia; Gough, Derrick V.; Trinklein, Timothy J. Journal of Chromatography A, Vol. 1620 https://doi.org/10.1016/j.chroma.2020.460982	journal	June 2020
Mathematically modeling chromatograms of evaporated ignitable liquids for fire debris applications Smith, Ruth Waddell; Brehe, Rebecca J.; McIlroy, John W. Forensic Chemistry, Vol. 2 https://doi.org/10.1016/j.forc.2016.08.005	journal	November 2016
Discrimination of brands of gasoline by using DART-MS and chemometrics Barnett, Isabella; Zhang, Mengliang Forensic Chemistry, Vol. 10 https://doi.org/10.1016/j.forc.2018.07.003	journal	August 2018
Isotope ratio mass spectrometry in forensic science applications Matos, Mayara P. V.; Jackson, Glen P. Forensic Chemistry, Vol. 13 https://doi.org/10.1016/j.forc.2019.100154	journal	May 2019
The determination by gas chromatography with atomic emission detection of total sulfur in fuels used as forensic evidence Kaneko, Tsuyoshi; Yoshida, Hiroaki; Suzuki, Shinichi Forensic Science International, Vol. 177, Issue 2-3 https://doi.org/10.1016/j.forsciint.2007.11.006	journal	May 2008
Assessing the effect of data pretreatment procedures for principal components analysis of chromatographic data McIlroy, John W.; Smith, Ruth Waddell; McGuffin, Victoria L. Forensic Science International, Vol. 257 https://doi.org/10.1016/j.forsciint.2015.07.038	journal	December 2015
Forensic analysis of biodiesel Goodman, Michael R.; Kaley, Elizabeth A.; Finney, Eric E. Forensic Science International, Vol. 263 https://doi.org/10.1016/j.forsciint.2016.03.040	journal	June 2016
Towards chemical profiling of ignitable liquids with comprehensive two-dimensional gas chromatography: Exploring forensic application to neat white spirits Sampat, Andjoe A. S.; Lopatka, Martin; Vivó-Truyols, Gabriel Forensic Science International, Vol. 267 https://doi.org/10.1016/j.forsciint.2016.08.006	journal	October 2016
Combined cluster and discriminant analysis: An efficient chemometric approach in diesel fuel characterization Novák, Márton; Palya, Dóra; Bodai, Zsolt Forensic Science International, Vol. 270 https://doi.org/10.1016/j.forsciint.2016.11.025	journal	January 2017
Forensic science needs both the ‘hedgehog’ and the ‘fox’ Morgan, R. M. Forensic Science International, Vol. 292 https://doi.org/10.1016/j.forsciint.2018.08.026	journal	November 2018
Determination of gasoline origin by distillation curves and multivariate analysis Aleme, Helga G.; Costa, Letícia M.; Barbeira, Paulo J. S. Fuel, Vol. 87, Issue 17-18 https://doi.org/10.1016/j.fuel.2008.06.015	journal	December 2008
Determination of octane numbers in gasoline by distillation curves and partial least squares regression Mendes, Gisele; Aleme, Helga G.; Barbeira, Paulo J. S. Fuel, Vol. 97, p. 131-136 https://doi.org/10.1016/j.fuel.2012.01.058	journal	July 2012
Evaluation of single and multi-feedstock biodiesel – diesel blends using GCMS and chemometric methods Flood, Mariel E.; Connolly, Mary P.; Comiskey, Michael C. Fuel, Vol. 186 https://doi.org/10.1016/j.fuel.2016.08.069	journal	December 2016
Quantitative analysis of modern fuels derived from middle distillates – The impact of diverse compositions on standard methods evaluated by an offline hyphenation of HPLC-refractive index detection with GC×GC-TOFMS Jennerwein, Maximilian K.; Sutherland, Aimée Celeste; Eschner, Markus Fuel, Vol. 187 https://doi.org/10.1016/j.fuel.2016.09.033	journal	January 2017
Unsupervised classification of petroleum Certified Reference Materials and other fuels by chemometric analysis of gas chromatography-mass spectrometry data Fortunato de Carvalho Rocha, Werickson; Schantz, Michele M.; Sheen, David A. Fuel, Vol. 197 https://doi.org/10.1016/j.fuel.2017.02.025	journal	June 2017
Detection and estimation of Super premium 95 gasoline adulteration with Premium 91 gasoline using new NIR spectroscopy combined with multivariate methods Mabood, Fazal; Gilani, Syed Abdullah; Albroumi, Mohammed Fuel, Vol. 197 https://doi.org/10.1016/j.fuel.2017.02.041	journal	June 2017
MCR-ALS and PLS coupled to NIR/MIR spectroscopies for quantification and identification of adulterant in biodiesel-diesel blends Câmara, Anne B. F.; de Carvalho, Luciene S.; de Morais, Camilo L. M. Fuel, Vol. 210 https://doi.org/10.1016/j.fuel.2017.08.072	journal	December 2017
Rapid and sensitive method for detecting adulterants in gasoline using ultra-fast gas chromatography and Partial Least Square Discriminant Analysis Nespeca, Maurílio Gustavo; Munhoz, João Fernando Villarrubia Lopes; Flumignan, Danilo Luiz Fuel, Vol. 215 https://doi.org/10.1016/j.fuel.2017.11.032	journal	March 2018
Comparison of GC-VUV, GC-FID, and comprehensive two-dimensional GC–MS for the characterization of weathered and unweathered diesel fuels Bai, Ling; Smuts, Jonathan; Schenk, Jamie Fuel, Vol. 214 https://doi.org/10.1016/j.fuel.2017.11.053	journal	February 2018
Comprehensive and multidimensional tools for crude oil property prediction and petrochemical industry refinery inferences Vale, Daniella L.; de Aguiar, Paula F.; de Oliveira, Lize Mirela S. L. Fuel, Vol. 223 https://doi.org/10.1016/j.fuel.2018.01.109	journal	July 2018
Analysis of biodiesel-diesel blends using ultrafast gas chromatography (UFGC) and chemometric methods: Extending ASTM D7798 to biodiesel Hupp, Amber M.; Perron, Joseph; Roques, Ned Fuel, Vol. 231 https://doi.org/10.1016/j.fuel.2018.05.102	journal	November 2018
Evaluation of reversed phase versus normal phase column combination for the quantitative analysis of common commercial available middle distillates using GC × GC-TOFMS and Visual Basic Script Jennerwein, Maximilian; Eschner, Markus; Wilharm, Thomas Fuel, Vol. 235 https://doi.org/10.1016/j.fuel.2018.07.081	journal	January 2019
Speciation and quantification of high molecular weight paraffins in Brazilian whole crude oils using high-temperature comprehensive two-dimensional gas chromatography França, Daniela; Pereira, Vinícius B.; Coutinho, Dayane M. Fuel, Vol. 234 https://doi.org/10.1016/j.fuel.2018.07.145	journal	December 2018
How to obtain a detailed chemical composition for middle distillates via GC × GC-FID without the need of GC × GC-TOF/MS Vozka, Petr; Kilaz, Gozdem Fuel, Vol. 247 https://doi.org/10.1016/j.fuel.2019.03.009	journal	July 2019
Two-point normalization using internal and external standards for a traceable determination of δ13C values of fatty acid methyl esters by gas chromatography/combustion/isotope ratio mass spectrometry Fasciotti, Maíra; Monteiro, Thays V. C.; Ferreira, Alexandre A. International Journal of Mass Spectrometry, Vol. 418 https://doi.org/10.1016/j.ijms.2016.12.002	journal	July 2017
Chemometric techniques in oil classification from oil spill fingerprinting Ismail, Azimah; Toriman, Mohd Ekhwan; Juahir, Hafizan Marine Pollution Bulletin, Vol. 111, Issue 1-2 https://doi.org/10.1016/j.marpolbul.2016.06.089	journal	October 2016
Forensic applications of stable isotope analysis: Case studies of the origins of water in mislabeled beer and contaminated diesel fuel Papesch, Wolfgang; Horacek, Micha Science & Justice, Vol. 49, Issue 2 https://doi.org/10.1016/j.scijus.2009.02.005	journal	June 2009
Conceptualising forensic science and forensic reconstruction. Part II: The critical interaction between research, policy/law and practice Morgan, R. M. Science & Justice, Vol. 57, Issue 6 https://doi.org/10.1016/j.scijus.2017.06.003	journal	November 2017
Acid alteration of several ignitable liquids of potential use in arsons Martín-Alberca, Carlos; Carrascosa, Héctor; San Román, Itxaso Science & Justice, Vol. 58, Issue 1 https://doi.org/10.1016/j.scijus.2017.09.004	journal	January 2018
Preparation and characterization of micro-bore wall-coated open-tubular capillaries with low phase ratios for fast-gas chromatography–mass spectrometry: Application to ignitable liquids and fire debris Roberson, Zackery R.; Goodpaster, John V. Science & Justice, Vol. 59, Issue 6 https://doi.org/10.1016/j.scijus.2019.06.009	journal	November 2019
A tiered approach to distinguish sources of gasoline and diesel spills Xiong, Wenhui; Bernesky, Ryan; Bechard, Robert Science of The Total Environment, Vol. 487 https://doi.org/10.1016/j.scitotenv.2014.04.043	journal	July 2014
Chemometric analysis of gas chromatography–mass spectrometry data using fast retention time alignment via a total ion current shift function Nadeau, Jeremy S.; Wright, Bob W.; Synovec, Robert E. Talanta, Vol. 81, Issue 1-2 https://doi.org/10.1016/j.talanta.2009.11.046	journal	April 2010
Predicting percent composition of blends of biodiesel and conventional diesel using gas chromatography–mass spectrometry, comprehensive two-dimensional gas chromatography–mass spectrometry, and partial least squares analysis Pierce, Karisa M.; Schale, Stephen P. Talanta, Vol. 83, Issue 4 https://doi.org/10.1016/j.talanta.2010.07.084	journal	January 2011
Characterization of diesel fuel by chemical separation combined with capillary gas chromatography (GC) isotope ratio mass spectrometry (IRMS) Harvey, Scott D.; Jarman, Kristin H.; Moran, James J. Talanta, Vol. 99 https://doi.org/10.1016/j.talanta.2012.05.049	journal	September 2012
Tile-based Fisher-ratio software for improved feature selection analysis of comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry data Marney, Luke C.; Christopher Siegler, W.; Parsons, Brendon A. Talanta, Vol. 115 https://doi.org/10.1016/j.talanta.2013.06.038	journal	October 2013
Application of correlation constrained multivariate curve resolution alternating least-squares methods for determination of compounds of interest in biodiesel blends using NIR and UV–visible spectroscopic data de Oliveira, Rodrigo Rocha; de Lima, Kássio Michell Gomes; Tauler, Romà Talanta, Vol. 125 https://doi.org/10.1016/j.talanta.2014.02.073	journal	July 2014
Classification of biodiesel and fuel blends using gas chromatography – differential mobility spectrometry with cluster analysis and isolation of C18:3 me by dual ion filtering Pasupuleti, Dedeepya; Eiceman, Gary A.; Pierce, Karisa M. Talanta, Vol. 155 https://doi.org/10.1016/j.talanta.2016.04.044	journal	August 2016
High temperature diaphragm valve-based comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry Freye, Chris E.; Synovec, Robert E. Talanta, Vol. 161 https://doi.org/10.1016/j.talanta.2016.09.002	journal	December 2016
Thermal desorption modulation for comprehensive two-dimensional gas chromatography using a simple and inexpensive segmented-loop fluidic interface Mucédola, Vanessa; Vieira, Luis C. S.; Pierone, Danilo Talanta, Vol. 164 https://doi.org/10.1016/j.talanta.2016.12.005	journal	March 2017
Comprehensive two-dimensional gas chromatography using partial modulation via a pulsed flow valve with a short modulation period Freye, Chris E.; Bahaghighat, H. Daniel; Synovec, Robert E. Talanta, Vol. 177 https://doi.org/10.1016/j.talanta.2017.08.095	journal	January 2018
Column selection approach to achieve a high peak capacity in comprehensive three-dimensional gas chromatography Gough, Derrick V.; Bahaghighat, H. Daniel; Synovec, Robert E. Talanta, Vol. 195 https://doi.org/10.1016/j.talanta.2018.12.007	journal	April 2019
Comprehensive two-dimensional gas chromatography for the analysis of nitrogen-containing compounds in fossil fuels: A review Machado, Maria Elisabete Talanta, Vol. 198 https://doi.org/10.1016/j.talanta.2019.02.031	journal	June 2019
Detecting chemical markers to uncover counterfeit rebated excise duty diesel oil Orzel, J.; Krakowska, B.; Stanimirova, I. Talanta, Vol. 204 https://doi.org/10.1016/j.talanta.2019.05.113	journal	November 2019
Impact of data bin size on the classification of diesel fuels using comprehensive two-dimensional gas chromatography with principal component analysis Sudol, Paige E.; Gough, Derrick V.; Prebihalo, Sarah E. Talanta, Vol. 206 https://doi.org/10.1016/j.talanta.2019.120239	journal	January 2020
Chemometric decomposition of comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry data employing partial modulation in the negative pulse mode Gough, Derrick V.; Schӧneich, Sonia; Synovec, Robert E. Talanta, Vol. 210 https://doi.org/10.1016/j.talanta.2019.120670	journal	April 2020
Direct-immersion SPME in soy milk for pesticide analysis at trace levels by means of a matrix-compatible coating Gionfriddo, Emanuela; Gruszecka, Dominika; Li, Xiujuan Talanta, Vol. 211 https://doi.org/10.1016/j.talanta.2020.120746	journal	May 2020
Forensic potential of comprehensive two-dimensional gas chromatography Sampat, Andjoe; Lopatka, Martin; Sjerps, Marjan TrAC Trends in Analytical Chemistry, Vol. 80 https://doi.org/10.1016/j.trac.2015.10.011	journal	June 2016
Ionic liquid stationary phases for multidimensional gas chromatography Nan, He; Anderson, Jared L. TrAC Trends in Analytical Chemistry, Vol. 105 https://doi.org/10.1016/j.trac.2018.03.020	journal	August 2018
Recent advances in modulator technology for comprehensive two dimensional gas chromatography Bahaghighat, H. Daniel; Freye, Chris E.; Synovec, Robert E. TrAC Trends in Analytical Chemistry, Vol. 113 https://doi.org/10.1016/j.trac.2018.04.016	journal	April 2019
The impact of comprehensive two-dimensional gas chromatography on oil & gas analysis: Recent advances and applications in petroleum industry Pollo, Breno J.; Alexandrino, Guilherme L.; Augusto, Fabio TrAC Trends in Analytical Chemistry, Vol. 105 https://doi.org/10.1016/j.trac.2018.05.007	journal	August 2018
Chemometrics in forensic science Kumar, Raj; Sharma, Vishal TrAC Trends in Analytical Chemistry, Vol. 105 https://doi.org/10.1016/j.trac.2018.05.010	journal	August 2018
Comprehensive two-dimensional gas chromatography in forensic science: A critical review of recent trends Gruber, B.; Weggler, B. A.; Jaramillo, R. TrAC Trends in Analytical Chemistry, Vol. 105 https://doi.org/10.1016/j.trac.2018.05.017	journal	August 2018
A critical review on regulatory sample preparation methods: Validating solid-phase microextraction techniques Lashgari, Maryam; Singh, Varoon; Pawliszyn, Janusz TrAC Trends in Analytical Chemistry, Vol. 119 https://doi.org/10.1016/j.trac.2019.07.029	journal	October 2019
FTIR fingerprints associated to a PLS-DA model for rapid detection of smuggled non-compliant diesel marketed in Morocco Barra, Issam; Mansouri, Mohammed Alaoui; Cherrah, Yahia Vibrational Spectroscopy, Vol. 101 https://doi.org/10.1016/j.vibspec.2019.02.001	journal	March 2019
Comprehensive Two-Dimensional Gas Chromatography via Differential Flow Modulation Seeley, John V.; Kramp, Frederick; Hicks, Christine J. Analytical Chemistry, Vol. 72, Issue 18 https://doi.org/10.1021/ac000249z	journal	September 2000
Comprehensive Two-Dimensional Gas Chromatography and Chemometrics for the High-Speed Quantitative Analysis of Aromatic Isomers in a Jet Fuel Using the Standard Addition Method and an Objective Retention Time Alignment Algorithm Fraga, Carlos G.; Prazen, Bryan J.; Synovec, Robert E. Analytical Chemistry, Vol. 72, Issue 17 https://doi.org/10.1021/ac000303b	journal	September 2000
Headspace solid-phase microextraction Zhang, Zhouyao.; Pawliszyn, Janusz. Analytical Chemistry, Vol. 65, Issue 14 https://doi.org/10.1021/ac00062a008	journal	July 1993
Solid-Phase Microextraction. A Solvent-Free Alternative for Sample Preparation Zhang, Zhouyao; Yang, Min J.; Pawliszyn, Janusz Analytical Chemistry, Vol. 66, Issue 17 https://doi.org/10.1021/ac00089a001	journal	September 1994
Geometric Approach to Factor Analysis for the Estimation of Orthogonality and Practical Peak Capacity in Comprehensive Two-Dimensional Separations Liu, Zaiyou.; Patterson, Donald G.; Lee, Milton L. Analytical Chemistry, Vol. 67, Issue 21 https://doi.org/10.1021/ac00117a004	journal	November 1995
Partial least-squares methods for spectral analyses. 1. Relation to other quantitative calibration methods and the extraction of qualitative information Haaland, David M.; Thomas, Edward V. Analytical Chemistry, Vol. 60, Issue 11 https://doi.org/10.1021/ac00162a020	journal	June 1988
Solid phase microextraction with thermal desorption using fused silica optical fibers Arthur, Catherine L.; Pawliszyn, Janusz. Analytical Chemistry, Vol. 62, Issue 19 https://doi.org/10.1021/ac00218a019	journal	October 1990
A Perfect Smoother Eilers, Paul H. C. Analytical Chemistry, Vol. 75, Issue 14 https://doi.org/10.1021/ac034173t	journal	July 2003
Parametric Time Warping Eilers, Paul H. C. Analytical Chemistry, Vol. 76, Issue 2 https://doi.org/10.1021/ac034800e	journal	January 2004
Partial Modulation Method via Pulsed Flow Modulator for Comprehensive Two-Dimensional Gas Chromatography Cai, Huamin; Stearns, Stanley D. Analytical Chemistry, Vol. 76, Issue 20 https://doi.org/10.1021/ac0492463	journal	October 2004
Using Comprehensive Two-Dimensional Gas Chromatography Retention Indices To Estimate Environmental Partitioning Properties for a Complete Set of Diesel Fuel Hydrocarbons Arey, J. Samuel; Nelson, Robert K.; Xu, Li Analytical Chemistry, Vol. 77, Issue 22 https://doi.org/10.1021/ac051051n	journal	November 2005
A Comprehensive Two-Dimensional Retention Time Alignment Algorithm To Enhance Chemometric Analysis of Comprehensive Two-Dimensional Separation Data Pierce, Karisa M.; Wood, Lianna F.; Wright, Bob W. Analytical Chemistry, Vol. 77, Issue 23 https://doi.org/10.1021/ac0511142	journal	December 2005
Modulation Ratio in Comprehensive Two-dimensional Gas Chromatography Khummueng, Weeraya; Harynuk, James; Marriott, Philip J. Analytical Chemistry, Vol. 78, Issue 13 https://doi.org/10.1021/ac052270b	journal	July 2006
Fuzzy Rule-Building Expert System Classification of Fuel Using Solid-Phase Microextraction Two-Way Gas Chromatography Differential Mobility Spectrometric Data Rearden, Preshious; Harrington, Peter B.; Karnes, John J. Analytical Chemistry, Vol. 79, Issue 4 https://doi.org/10.1021/ac060527f	journal	February 2007
Parallel Factor Analysis (PARAFAC) of Target Analytes in GC × GC−TOFMS Data: Automated Selection of a Model with an Appropriate Number of Factors Hoggard, Jamin C.; Synovec, Robert E. Analytical Chemistry, Vol. 79, Issue 4 https://doi.org/10.1021/ac061710b	journal	February 2007
Microfluidic Deans Switch for Comprehensive Two-Dimensional Gas Chromatography Seeley, John V.; Micyus, Nicole J.; Bandurski, Steven V. Analytical Chemistry, Vol. 79, Issue 5 https://doi.org/10.1021/ac061881g	journal	March 2007
Forensic Application of Gas Chromatography–Differential Mobility Spectrometry with Two-Way Classification of Ignitable Liquids from Fire Debris Lu, Yao; Harrington, Peter B. Analytical Chemistry, Vol. 79, Issue 17 https://doi.org/10.1021/ac0707028	journal	September 2007
Gold Nanoparticle Chemiresistor Sensor Array that Differentiates between Hydrocarbon Fuels Dissolved in Artificial Seawater Cooper, James Scott; Raguse, Burkhard; Chow, Edith Analytical Chemistry, Vol. 82, Issue 9 https://doi.org/10.1021/ac1001788	journal	May 2010
Experimental Study of the Quantitative Precision for Valve-Based Comprehensive Two-Dimensional Gas Chromatography Siegler, W. Christopher; Fitz, Brian D.; Hoggard, Jamin C. Analytical Chemistry, Vol. 83, Issue 13 https://doi.org/10.1021/ac200302b	journal	July 2011
Quasi-Simultaneous Acquisition of Hard Electron Ionization and Soft Single-Photon Ionization Mass Spectra during GC/MS Analysis by Rapid Switching between Both Ionization Methods: Analytical Concept, Setup, and Application on Diesel Fuel Eschner, Markus S.; Gröger, Thomas M.; Horvath, Thomas Analytical Chemistry, Vol. 83, Issue 10 https://doi.org/10.1021/ac200356t	journal	May 2011
Resolution and Quantification of Complex Mixtures of Polycyclic Aromatic Hydrocarbons in Heavy Fuel Oil Sample by Means of GC × GC-TOFMS Combined to Multivariate Curve Resolution Parastar, Hadi; Radović, Jagoš R.; Jalali-Heravi, Mehdi Analytical Chemistry, Vol. 83, Issue 24 https://doi.org/10.1021/ac201799r	journal	December 2011
Classification and Source Determination of Medium Petroleum Distillates by Chemometric and Artificial Neural Networks: A Self Organizing Feature Approach Mat-Desa, Wan N. S.; Ismail, Dzulkiflee; NicDaeid, Niamh Analytical Chemistry, Vol. 83, Issue 20 https://doi.org/10.1021/ac202315y	journal	October 2011
Multidimensional Gas Chromatography: Fundamental Advances and New Applications Seeley, John V.; Seeley, Stacy K. Analytical Chemistry, Vol. 85, Issue 2 https://doi.org/10.1021/ac303195u	journal	December 2012
Ionic Liquids in Analytical Chemistry: Fundamentals, Advances, and Perspectives Ho, Tien D.; Zhang, Cheng; Hantao, Leandro W. Analytical Chemistry, Vol. 86, Issue 1 https://doi.org/10.1021/ac4035554	journal	December 2013
Tuning the Selectivity of Ionic Liquid Stationary Phases for Enhanced Separation of Nonpolar Analytes in Kerosene Using Multidimensional Gas Chromatography Hantao, Leandro W.; Najafi, Ali; Zhang, Cheng Analytical Chemistry, Vol. 86, Issue 8 https://doi.org/10.1021/ac5004129	journal	March 2014
Flow-Modulated Comprehensive Two-Dimensional Gas Chromatography Combined with a High-Resolution Time-of-Flight Mass Spectrometer: A Proof-of-Principle Study Tranchida, Peter Q.; Salivo, Simona; Franchina, Flavio A. Analytical Chemistry, Vol. 87, Issue 5 https://doi.org/10.1021/ac5044175	journal	February 2015
Tile-Based Fisher Ratio Analysis of Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry (GC × GC–TOFMS) Data Using a Null Distribution Approach Parsons, Brendon A.; Marney, Luke C.; Siegler, W. Christopher Analytical Chemistry, Vol. 87, Issue 7 https://doi.org/10.1021/ac504472s	journal	March 2015
Smoothing and Differentiation of Data by Simplified Least Squares Procedures. Savitzky, Abraham.; Golay, M. J. E. Analytical Chemistry, Vol. 36, Issue 8 https://doi.org/10.1021/ac60214a047	journal	July 1964
Versatile internal standard technique for the gas chromatographic determination of water in liquids Hogan, Joseph M.; Engel, R. A.; Stevenson, H. F. Analytical Chemistry, Vol. 42, Issue 2 https://doi.org/10.1021/ac60284a033	journal	February 1970
Elimination of Uninformative Variables for Multivariate Calibration Centner, Vítézslav; Massart, Désiré-Luc; de Noord, Onno E. Analytical Chemistry, Vol. 68, Issue 21 https://doi.org/10.1021/ac960321m	journal	January 1996
Estimation of Air/Coating Distribution Coefficients for Solid Phase Microextraction Using Retention Indexes from Linear Temperature-Programmed Capillary Gas Chromatography. Application to the Sampling and Analysis of Total Petroleum Hydrocarbons in Air Martos, Perry A.; Saraullo, Angela; Pawliszyn, Janusz Analytical Chemistry, Vol. 69, Issue 3 https://doi.org/10.1021/ac960633p	journal	February 1997
Longitudinally Modulated Cryogenic System. A Generally Applicable Approach to Solute Trapping and Mobilization in Gas Chromatography Marriott, Philip J.; Kinghorn, Russell M. Analytical Chemistry, Vol. 69, Issue 13 https://doi.org/10.1021/ac961310w	journal	July 1997
Standardization of Second-Order Chromatographic/Spectroscopic Data for Optimum Chemical Analysis Prazen, Bryan J.; Synovec, Robert E.; Kowalski, Bruce R. Analytical Chemistry, Vol. 70, Issue 2 https://doi.org/10.1021/ac9706335	journal	January 1998
Comprehensive Two-Dimensional High-Speed Gas Chromatography with Chemometric Analysis Bruckner, Carsten A.; Prazen, Bryan J.; Synovec, Robert E. Analytical Chemistry, Vol. 70, Issue 14 https://doi.org/10.1021/ac980164m	journal	July 1998
Source Identification of Underground Fuel Spills by Solid-Phase Microextraction/High-Resolution Gas Chromatography/Genetic Algorithms Lavine, B. K.; Ritter, J.; Moores, A. J. Analytical Chemistry, Vol. 72, Issue 2 https://doi.org/10.1021/ac9904967	journal	January 2000
Determination of Hydrocarbon Group-Type of Diesel Fuels by Gas Chromatography with Vacuum Ultraviolet Detection Weber, Brandon M.; Walsh, Phillip; Harynuk, James. J. Analytical Chemistry, Vol. 88, Issue 11 https://doi.org/10.1021/acs.analchem.6b00383	journal	May 2016
Development and Design of a Single-Stage Cryogenic Modulator for Comprehensive Two-Dimensional Gas Chromatography Mostafa, Ahmed; Górecki, Tadeusz Analytical Chemistry, Vol. 88, Issue 10 https://doi.org/10.1021/acs.analchem.6b00767	journal	April 2016
Thermal Independent Modulator for Comprehensive Two-Dimensional Gas Chromatography Luong, Jim; Guan, Xiaosheng; Xu, Shifen Analytical Chemistry, Vol. 88, Issue 17 https://doi.org/10.1021/acs.analchem.6b02525	journal	August 2016
Using Receiver Operating Characteristic Curves To Optimize Discovery-Based Software with Comprehensive Two-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometry Reaser, Brooke C.; Wright, Bob W.; Synovec, Robert E. Analytical Chemistry, Vol. 89, Issue 6 https://doi.org/10.1021/acs.analchem.6b04991	journal	February 2017
Multidimensional Gas Chromatography: Advances in Instrumentation, Chemometrics, and Applications Prebihalo, Sarah E.; Berrier, Kelsey L.; Freye, Chris E. Analytical Chemistry, Vol. 90, Issue 1 https://doi.org/10.1021/acs.analchem.7b04226	journal	November 2017
Advances of Ionic Liquids in Analytical Chemistry Trujillo-Rodríguez, María J.; Nan, He; Varona, Marcelino Analytical Chemistry, Vol. 91, Issue 1 https://doi.org/10.1021/acs.analchem.8b04710	journal	October 2018
Development of Ultrafast Separations Using Negative Pulse Partial Modulation To Enable New Directions in Gas Chromatography Gough, Derrick V.; Song, Dong H.; Schöneich, Sonia Analytical Chemistry, Vol. 91, Issue 11 https://doi.org/10.1021/acs.analchem.9b01085	journal	May 2019
Time Domain-NMR Combined with Chemometrics Analysis: An Alternative Tool for Monitoring Diesel Fuel Quality Santos, Poliana M.; Amais, Renata S.; Colnago, Luiz A. Energy & Fuels, Vol. 29, Issue 4 https://doi.org/10.1021/acs.energyfuels.5b00017	journal	March 2015
Expanded Framework for the Prediction of Alternative Fuel Content and Alternative Fuel Blend Performance Properties Using Near-Infrared Spectroscopic Data Cramer, Jeffrey A.; Hammond, Mark H.; Myers, Kristina M. Energy & Fuels, Vol. 29, Issue 11 https://doi.org/10.1021/acs.energyfuels.5b01660	journal	October 2015
Discriminant Analysis and Cluster Analysis of Biodiesel Fuel Blends Based on Fourier Transform Infrared Spectroscopy (FTIR) Santos, Victor Hugo J. M. dos; Bruzza, Eduardo Do Canto; de Lima, Jeane E. Energy & Fuels, Vol. 30, Issue 6 https://doi.org/10.1021/acs.energyfuels.6b00447	journal	May 2016
Classification of Fuel Blends Using Exploratory Analysis with Combined Data from Infrared Spectroscopy and Stable Isotope Analysis Santos, Victor Hugo J. M. dos; Ketzer, João M. M.; Rodrigues, Luiz F. Energy & Fuels, Vol. 31, Issue 1 https://doi.org/10.1021/acs.energyfuels.6b01937	journal	December 2016
Detection and Quantification of Metal Deactivator Additive in Jet and Diesel Fuel by Liquid Chromatography Loegel, Thomas N.; Morris, Robert E.; Leska, Iwona Energy & Fuels, Vol. 31, Issue 4 https://doi.org/10.1021/acs.energyfuels.6b03128	journal	March 2017
In-Depth Interpretation of Mid-Infrared Spectra of Various Synthetic Fuels for the Chemometric Prediction of Aviation Fuel Blend Properties Scheuermann, S. S.; Forster, S.; Eibl, S. Energy & Fuels, Vol. 31, Issue 3 https://doi.org/10.1021/acs.energyfuels.6b03178	journal	February 2017
Determination of Biodiesel Content in Diesel Fuel by Time-Domain Nuclear Magnetic Resonance (TD-NMR) Spectroscopy da Rocha, Grazielli; Colnago, Luiz Alberto; Moraes, Tiago Bueno Energy & Fuels, Vol. 31, Issue 5 https://doi.org/10.1021/acs.energyfuels.6b03508	journal	April 2017
Classification of Diesel Fuel Using Two-Dimensional Fluorescence Spectroscopy Ranzan, Lucas; Ranzan, Cassiano; Trierweiler, Luciane F. Energy & Fuels, Vol. 31, Issue 9 https://doi.org/10.1021/acs.energyfuels.7b00954	journal	August 2017
Property Prediction of Diesel Fuel Based on the Composition Analysis Data by two-Dimensional Gas Chromatography Chakravarthy, Ramachandra; Acharya, Chhayakanta; Savalia, Anilkumar Energy & Fuels, Vol. 32, Issue 3 https://doi.org/10.1021/acs.energyfuels.7b03822	journal	February 2018
Class Separation of the Trace Polar Species Present in Diesel Using Hydrophilic Interaction Chromatography and High Resolution Mass Spectrometry Smit, Elize; De Goede, Stefan; Rohwer, Egmont R. Energy & Fuels, Vol. 32, Issue 9 https://doi.org/10.1021/acs.energyfuels.8b01089	journal	August 2018
Prediction of Relative Density, Distillation Temperatures, Flash Point, and Cetane Number of S500 Diesel Oil Using Multivariate Calibration of Gas Chromatographic Profiles Zanão, Lídia Renata; Diniz Brito dos Santos, Bruno César; Sequinel, Rodrigo Energy & Fuels, Vol. 32, Issue 8 https://doi.org/10.1021/acs.energyfuels.8b01295	journal	June 2018
Forensic Investigations of Diesel Oil Spills in the Environment Using Comprehensive Two-Dimensional Gas Chromatography–High Resolution Mass Spectrometry and Chemometrics: New Perspectives in the Absence of Recalcitrant Biomarkers Alexandrino, Guilherme L.; Tomasi, Giorgio; Kienhuis, Paul G. M. Environmental Science & Technology, Vol. 53, Issue 1 https://doi.org/10.1021/acs.est.8b05238	journal	November 2018
Chemometrics: Views and Propositions Kowalski, B. R. Journal of Chemical Information and Modeling, Vol. 15, Issue 4 https://doi.org/10.1021/ci60004a002	journal	November 1975
ChroMATHography: Solving Chromatographic Issues with Mathematical Models and Intuitive Graphics Amigo, José Manuel; Skov, Thomas; Bro, Rasmus Chemical Reviews, Vol. 110, Issue 8 https://doi.org/10.1021/cr900394n	journal	August 2010
An Advanced Analytical Chemistry Experiment Using Gas Chromatography−Mass Spectrometry, MATLAB, and Chemometrics To Predict Biodiesel Blend Percent Composition Pierce, Karisa M.; Schale, Stephen P.; Le, Trang M. Journal of Chemical Education, Vol. 88, Issue 6 https://doi.org/10.1021/ed100917x	journal	March 2011
Experimental Design, Near-Infrared Spectroscopy, and Multivariate Calibration: An Advanced Project in a Chemometrics Course de Oliveira, Rodrigo R.; das Neves, Luiz S.; de Lima, Kássio M. G. Journal of Chemical Education, Vol. 89, Issue 12 https://doi.org/10.1021/ed200765j	journal	October 2012
Monitoring Diesel Fuel Degradation by Gas Chromatography−Mass Spectroscopy and Chemometric Analysis Johnson, Kevin J.; Rose-Pehrsson, Susan L.; Morris, Robert E. Energy & Fuels, Vol. 18, Issue 3 https://doi.org/10.1021/ef030161z	journal	May 2004
Rapid Discrimination of Counterfeit Gas Oil Prepared by Mixing Fuel Oil with Sulfuric Acid Using Gas Chromatography−Mass Spectrometry and Gas Chromatography−Atomic Emission Detection Kurata, Shoji; Nagai, Masatoshi Energy & Fuels, Vol. 18, Issue 4 https://doi.org/10.1021/ef034108m	journal	July 2004
A Novel Method for Chemical Fingerprinting of Oil and Petroleum Products Based on Electrospray Mass Spectrometry and Chemometrics Eide, Ingvar; Zahlsen, Kolbjørn Energy & Fuels, Vol. 19, Issue 3 https://doi.org/10.1021/ef049743m	journal	May 2005
Complete Group-Type Quantification of Petroleum Middle Distillates Based on Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry (GC×GC-TOFMS) and Visual Basic Scripting Jennerwein, Maximilian K.; Eschner, Markus; Gröger, Thomas Energy & Fuels, Vol. 28, Issue 9 https://doi.org/10.1021/ef501247h	journal	August 2014
¹ H NMR Fingerprinting of Brazilian Commercial Gasoline: Pattern-Recognition Analyses for Origin Authentication Purposes Rigo, Tainara Rodrigues Maia; Flumignan, Danilo Luiz; Boralle, Nivaldo Energy & Fuels, Vol. 23, Issue 8 https://doi.org/10.1021/ef8010977	journal	August 2009
Rapid determination of polyaromatic hydrocarbons and polychlorinated biphenyls in water using solid-phase microextraction and GC/MS Potter, David W.; Pawliszyn, Janusz. Environmental Science & Technology, Vol. 28, Issue 2 https://doi.org/10.1021/es00051a017	journal	February 1994
Chemical Fingerprinting of Petroleum Biomarkers Using Time Warping and PCA Christensen, Jan H.; Tomasi, Giorgio; Hansen, Asger B. Environmental Science & Technology, Vol. 39, Issue 1 https://doi.org/10.1021/es049832d	journal	January 2005
Characterization, Weathering, and Application of Sesquiterpanes to Source Identification of Spilled Lighter Petroleum Products Wang, Zhendi; Yang, Chun; Fingas, Merv Environmental Science & Technology, Vol. 39, Issue 22 https://doi.org/10.1021/es051371o	journal	November 2005
Oil Spill Source Identification by Comprehensive Two-Dimensional Gas Chromatography Gaines, Richard B.; Frysinger, Glenn S.; Hendrick-Smith, Martha S. Environmental Science & Technology, Vol. 33, Issue 12 https://doi.org/10.1021/es9810484	journal	June 1999
Planar microfluidic devices in flow modulated comprehensive two dimensional gas chromatography for challenging petrochemical applications Shellie, Robert A.; Cortes, Hernan J.; Gras, Ronda Analytical Methods, Vol. 5, Issue 23 https://doi.org/10.1039/c3ay41198b	journal	January 2013
Gas-liquid partition chromatography: the separation and micro-estimation of volatile fatty acids from formic acid to dodecanoic acid James, A. T.; Martin, A. J. P. Biochemical Journal, Vol. 50, Issue 5 https://doi.org/10.1042/bj0500679	journal	March 1952
Quantification of Kerosene in Gasoline by Comprehensive Two-Dimensional Gas Chromatography and N -Way Multivariate Analysis de Godoy, Luiz Antonio F.; Ferreira, Ernesto Correa; Pedroso, Marcio Pozzobon Analytical Letters, Vol. 41, Issue 9 https://doi.org/10.1080/00032710802122222	journal	July 2008
Comprehensive Two-Dimensional Gas Chromatography using an On-Column Thermal Modulator Interface Liu, Z.; Phillips, J. B. Journal of Chromatographic Science, Vol. 29, Issue 6 https://doi.org/10.1093/chromsci/29.6.227	journal	June 1991
Analysis of Biodiesel/Petroleum Diesel Blends with Comprehensive Two-Dimensional Gas Chromatography Seeley, J. V.; Seeley, S. K.; Libby, E. K. Journal of Chromatographic Science, Vol. 45, Issue 10 https://doi.org/10.1093/chromsci/45.10.650	journal	November 2007
A mathematical Examination of the Methods of determining the Accuracy of Observation by the Mean Error, and by the Mean Square Error Fisher, R. A. Monthly Notices of the Royal Astronomical Society, Vol. 80, Issue 8 https://doi.org/10.1093/mnras/80.8.758	journal	June 1920
The NAS Report: Ten Years of Response Ballou, Susan M. Journal of Forensic Sciences, Vol. 64, Issue 1 https://doi.org/10.1111/1556-4029.13961	journal	May 2018
Detection and Classification of Ignitable Liquid Residues in the Presence of Matrix Interferences by Using Direct Analysis in Real Time Mass Spectrometry, Barnett, Isabella; Bailey, Frank C.; Zhang, Mengliang Journal of Forensic Sciences, Vol. 64, Issue 5 https://doi.org/10.1111/1556-4029.14029	journal	February 2019
Effect of Gas Chromatography Temperature Program on the Association and Discrimination of Diesel Samples Baerncopf, Jamie M.; McGuffin, Victoria L.; Waddell Smith, Ruth Journal of Forensic Sciences, Vol. 55, Issue 1 https://doi.org/10.1111/j.1556-4029.2009.01234.x	journal	January 2010
Association of Ignitable Liquid Residues to Neat Ignitable Liquids in the Presence of Matrix Interferences Using Chemometric Procedures*,†: ASSOCIATION OF IGNITABLE LIQUID RESIDUES TO NEAT IGNITABLE LIQUIDS Baerncopf, Jamie M.; McGuffin, Victoria L.; Smith, Ruth W. Journal of Forensic Sciences, Vol. 56, Issue 1 https://doi.org/10.1111/j.1556-4029.2010.01563.x	journal	September 2010
Differentiation of Unevaporated Gasoline Samples According to Their Brands, by SPME-GC-MS and Multivariate Statistical Analysis: DIFFERENTIATION OF UNEVAPORATED GASOLINE SAMPLES Monfreda, Maria; Gregori, Adolfo Journal of Forensic Sciences, Vol. 56, Issue 2 https://doi.org/10.1111/j.1556-4029.2010.01644.x	journal	January 2011
Selecting an Appropriate Isotopic Internal Standard for Gas Chromatography/Mass Spectrometry Analysis of Drugs of Abuse—Pentobarbital Example Liu, Ray H.; Foster, Garon; Cone, Edward J. Journal of Forensic Sciences, Vol. 40, Issue 6 https://doi.org/10.1520/JFS13868J	journal	November 1995
The Application of Chemically Modified Fused Silica Fibers in the Extraction of Organics from Water Matrix Samples and their Rapid Transfer to Capillary Columns Belardi, Robert P.; Pawliszyn, Janusz B. Water Quality Research Journal, Vol. 24, Issue 1 https://doi.org/10.2166/wqrj.1989.010	journal	February 1989

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