Separation Science Articles & Reference

Environmental
Food/Flavor/Fragrance
Miscellaneous

Environmental

Comprehensive Analysis of Persistent Organic Pollutants in Complex Matrices Using GC with High-Performance TOF-MS (PDF)
By David E. Alonso, Joe Binkley, and Kevin Siek
This article appeared in the July 2011 issue of Current Trends in Mass Spectrometry

Establishing an alternative method for the quantitative analysis of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans by comprehensive two dimensional gas chromatography–time-of-flight mass spectrometry for developing countries
By Jayne de Vos, Peter Gorst-Allman, and Egmon Rohwer
The article appeared in the May 27, 2011 Vol 1218,
Issue 21 of Journal of Chromatography A

Developing New Methods for Pesticides in Dietary Supplements (PDF)
By Julie Kowalski, Michelle Misselwitz, Jason Thomas, Jack Cochran • Restek Corporation
The article appeared in Food Safety Magazine, Signature Series and has been reprinted with permission. © 2011

Evaluation of QuECheRS, Cartridge SPE Cleanup, and Gas Chromatography Time-of-Flight Mass Spectrometry for the Analysis of Pesticides in Dietary Supplements
By Julie Kowalski, Michelle Misselwitz, Jason Thomas, Jack Cochran • Restek Corporation
The article appeared in the November 1, 2010 Vol 28, No. 11 issue of LC/GC North America

Part-per-Trillion Determination of Pharmaceuticals, Pesticides, and Related Organic Contaminants in River Water by Solid-Phase Extraction Followed by Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry
By Victor Matamoros, Eric Jover, and Josep M. Bayona
The article appeared in the January 15, 2010 Vol. 82, Number 2 issue of Analytical Chemistry, Pages 699-706.

Trace Level Organochlorine and Organophosphorus Pesticides Analysis by SBSE-GC-TOFMS and SBSE-GCxGC-TOFMS (PDF)
By John Heim/Mark Libardoni
The following appeared in the March 2008 issue of Current Trends in Mass Spectrometry (LC/GC Supplement) and has been reprinted with permission.

Automated Screening for Hazardous Components in Complex Mixtures Based on Functional Characteristics Identifiable in GCxGC-TOFMS Data (PDF)
By Donald C. Hilton
The following article appeared in the July 2007 issue of Current Trends in Mass Spectrometry and has been reprinted with permission.

Comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometric detection applied to the determination of pesticides in food extracts
By Jens Dallüge, Martijn van Rijn, Jan Beens, René J. J. Vreuls and Udo A. Th. Brinkman
Department of Analytical Chemistry and Applied Spectroscopy, Vrije Universiteit Amsterdam, de Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands

This article appeared in Journal of Chromatography A 965 (1-2); 207-217; August 2, 2002.

Abstract
The separation provided by conventional gas chromatography (1D-GC) can be significantly enhanced by using comprehensive two-dimensional GC (GC×GC) instead. Combination with mass spectrometric detection is desirable for unambiguous confirmation of target compounds and the provisional identification of unknowns. A GC×GC system using a cryogenic modulator was coupled to a time-of-flight mass spectrometric (TOFMS) detector. With the determination of pesticides in vegetable extracts as an example, it was demonstrated that GC×GC improves the separation dramatically. All 58 pesticides of interest could be identified using their full-scan mass spectra, which was not possible when using 1D—GC-TOFMS. In addition, the high scan speed of the TOFMS allowed the deconvolution of compounds partly coeluting in GC×GC.

Back to Top

Food/Flavor/Fragrance

Development of a sensitive non-targeted method for characterizing the wine volatile profile using headspace solid-phase microextraction comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry
By Anthony L. Robinson, Paul K. Boss, Hildegarde Heymann, Peter S. Solomon, and Robert D. Trengove
The article appeared in the January 21, 2011 Vol. 1218, Number 3 issue of Journal of Chromatography A, Pages 504-517.

Influence of Yeast Strain, Canopy Management, and Site on the Volatile Composition and Sensory Attributes of Cabernet Sauvignon Wines from Western Australia
By Anthony L. Robinson, Paul K. Boss, Hildegarde Heymann, Peter S. Solomon, and Robert D. Trengove
This article appeared in the January 21, 2011 Vol. 1218, Number 3 issue of Journal of Chromatography A, Pages 504-517.

Large-Volume Injection Coupled to Comprehensive Gas Chromatography—Time-of-Flight Mass Spectrometry for the Analysis of 3-MCPD Esters in Edible Oils
By Sjaak de Koning, Zuzana Zelinkova, Karel Hrncirik, and Hans-Gerd Janssen
The article appeared in the March 19, 2010 Vol. 6, Number 5 issue of The Column, Pages 17-22.

Unravelling the Complexity of Fragrances in HPC* Products Using TruTOF GC-TOFMS with Automated Data Deconvolution (PDF)
By Nick Jones, Marcel Kneepkens, Izabela Malyszko, Sjaak de Koning, and Lorraine Kay
The following appeared in the December 17, 2009 Vol. 5, Number 18 issue of The Column.

Flavor and Fragrance Analysis (PDF)
How can manufacturers be assured that their highly complex raw ingredients or finished products are superior in taste and aroma? Consistency is one of the top reasons consumers will continue to buy a specific food product. This article highlights the outstanding advantages fast GCMS analysis offers today's food and packaging manufacturers.

Back to Top

Life Sciences

Forensics/Toxicology

Analysis of Pyridines in Mainstream Cigarette Smoke
By N.P. Kulshreshtha, S.C. Moldoveanu, Brown & Williamson Tobacco Corp., 2600 Weaver Road, Macon, GA, USA • This article appeared in Journal of Chromatography A, 1; October 8, 2002.

Abstract
A new technique has been developed for the quantitative analysis of pyridines in mainstream cigarette smoke using a GC-MS technique. For analysis, 10 cigarettes are smoked using conditions based on US Federal Trade Commission recommendations. The smoke is collected in a water trap and analyzed using a GC-MS technique. A standard or a fast GC separation can be applied for the analysis. The standard separation was followed by MS detection using selected ion monitoring (SIM) acquisition on a quadrupole instrument. The fast GC was followed by MS detection with total ion acquisition on a time-of-flight instrument. The levels of pyridine depend on the type of cigarette: for a full-flavor cigarette, pyridine is as high as 18.0 µg/cigarette (cig.), and for an ultra-light cigarette is about 3.0 µg/cig. Substituted pyridines vary between 5.0 µg/cig. to 0.1 µg/cig. for a full-flavor cigarette, and between 0.2 µg/cig. and a few ng/cig. for an ultra-light cigarette. The reproducibility of the technique is very good, with less than 7-8% RSD in both separation procedures for most of the analyzed compounds.

Characterization of an Unknown Cannabinomimetic Compound in an Herbal "Incense" Sample by Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry
Joe Binkley • The article appeared in the June, 2011 issue of LC/GC (North America) Application Notebook

Gas Chromatography-Time-of-Flight Mass Spectrometry Utilized As an Effective Weapon Against Illegal Drugs of Abuse (PDF)
By John Heim and Joe Binkley • The article appeared in the July 2008 issue of Current Trends in Mass Spectrometry and has been reprinted with permission.

Inside the Personalized Medicine Toolbox: GCxGC-Mass Spectrometry for High-Throughput Profiling of the Human Plasma Metabolome (PDF)
Adam Culbertson, W. Brent Williams, Andrew Mckee, Xiang Zhang, Keith March, Stephen Naylor, Stephen Valentine • The article appeared in the June 2008 issue of LC/GC (North America) and has been reprinted with permission.

Nonderivatized Drug-Screen Analysis in Urine with Automated Solid Phase Microextraction and Comprehensive Two-Dimensional GC-TOFMS (PDF)
By John Heim and Scott Pugh • The article appeared in the March 2009 issue of Current Trends in Mass Spectrometry and has been reprinted with permission.

Unravelling the Composition of Very Complex Samples by Comprehensive Gas Chromatography Coupled to Time-of-Flight Mass Spectrometry—cigarette smoke
By Jens Dallügea, Leo L.P. van Steea, Xiaobin Xub, Jonathan Williamsb, Jan Beensa, René J.J. Vreulsa, Udo A.Th. Brinkmana • Department of Analytical Chemistry and Applied Spectroscopy, Vrije Universiteit, de Boelelaan 1083, 1081 HV Amsterdam, Netherlands • Air Chemistry Department, Max Planck Institute for Chemistry, J.J. Becher WegMainz, 55020 Germany

Abstract
The potential and current limitations of comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GCxGC–TOFMS) for the analysis of very complex samples were studied with the separation of cigarette smoke as an example. Because of the large number of peaks in such a GCxGC chromatogram, it was not possible to perform manual data processing. Instead, the GC-TOFMS software was used to perform peak finding, deconvolution, and library search in an automated fashion; this resulted in a peak table containing some 30,000 peaks. Mass spectral match factors were used to evaluate the library search results. The additional use of retention indices and information from second-dimension retention times can substantially improve the identification. The combined separation power of the GCxGC-TOFMS system and the Deconvolution algorithm provide a system with a most impressive separation power.

Using Comprehensive GCxGC-TOFMS for Enhanced Detection and Separation in Antidoping Control Screening
John Heim and Doug Staples • Current Trends in Mass Spectrometry • May 2010

Back to Top

Metabolomics

Analyzing Small Molecule Metabolite Profiles of Diabetic and Nondiabetic Urine Samples Using GCxGC-TOFMS and Statistical Software as a Data-Mining Strategy
John Heim • Current Trends in Mass Spectrometry • March 2010

A New Path to High-Resolution HPLC–TOF-MS — Survey, Targeted, and Trace Analysis Applications of TOF-MS in the Analysis of Complex Biochemical Matrices (PDF)
Jeffrey S. Patrick, Kevin Siek, Joe Binkley, Viatcheslav Artaev, and Michael Mason • The article appeared in the May, 2011 issue of Current Trends in Mass Spectrometry

Back to Top

Miscellaneous

Comparing the Capabilities of Time-of-Flight and Quadrupole Mass Spectrometers
Joe Binkley and Mark Libardoni • Current Trends in Mass Spectrometry • July 2010

Today's GC-MS Analyses: How Integrated Software is Increasing Laboratory Throughput and Productivity
Lucas Smith • Software for the Separations Laboratory • April 2009

The World of Separation Science—"The Smarter The Chromatographer, The Shorter The Columns" (PDF)
By Robert Stevenson
The following article first appeared in the February 2000 issue of American Laboratory - News Edition, Volume 32, Number 5, and has been reprinted with permission.

Back to Top

Environmental
Food/Flavor/Fragrance
Metabolomics
Petrochemical
Miscellaneous

Environmental

Partially oxidised organic components in urban aerosol using GCxGC-TOFMS (PDF)
J. Hamilton, P. Webb, A. Lewis, J. Hopkins, S. Smith, P. Davy • Atmospheric Chemistry & Physics Discussions; 2004/#4, 09.03.2004, 1393-1423

Fast Gas Chromatography-Time-of-Flight Mass Spectrometry of Polychlorinated Biphenyls and Other Environmental Contaminants
J Cochran • Journal of Chromatographic Science; May/June 2002, 40/#5; 254-268

Measurements of assessing environmental exposures to children using small amounts of serum and urine: state-of-the-art (PDF)
JMD Dimandja, J. Grainger, DG Patterson, WE Turner, LL Needham, • J of Exposure Analysis and Environmental Epidemiology; 2000, Volume 10/Supp 1; 761-768

A larger pool of ozone-forming carbon compounds in urban atmospheres
AC Lewis, N Carslaw, PJ Marriott, RM Kinghorn, P Morrison, AL Lee, KD Bartle, MJ Pilling • Nature; June 15, 2000, 405/#6788; 778-781

Comparison of comprehensive two-dimensional gas chromatography and gas chromatography - mass spectrometry for the characterization of complex hydrocarbon mixtures
PJ Schoenmakers, JL MM Oomen, J Blomberg, W Genuit, G van Velzen • J. of Chrom. A; 2000, 892/#1-2; 29-46

Gas chromatography-time-of-flight mass spectrometry for sensitive determination of organic micro contaminants
RJJ Vreuls, J Dalluge, UAT Brinkman • J Microcolumn Separations; 1999, 11/#9; 663-675

Electrokinetic removal of creosote from treated timber waste: a comprehensive gas chromatographic view
E. Mateus, J. Zrostlíková, M. Gomes da Silva, A. Ribeiro, P. Marriott • Journal of Applied Electrochemistry; 40/# 6, June 2010; 1183-1193

Characterization of the volatile fraction emitted by Pinus spp. by one- and two-dimensional chromatographic techniques with mass spectrometric detection
E. Mateus, R.C. Barata, J. Zrostlíková, M.D. Gomes da Silva, M.R. Paiva • J of Chrom. A; 2010, 1217(11); 1845-1855

Evaluation of two-dimensional gas chromatography-time-of-flight mass spectrometry for the determination of multiple pesticide residues in fruit
J. Zrostlíková, J. Hajslová, T. Cajka • J. of Chrom. A; 2003, 1019(1-2); 173-186

Back to Top

Food/Flavor/Fragrance

Characterization of the volatile profile of Brazilian Merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection (PDF)
Juliane Elisa Welkea, Vitor Manfroib, Mauro Zanusc, Marcelo Lazarottoc, Cláudia Alcaraz Zini • Journal of Chromatography A, 1226 (2012) 124– 139

Multiresidue analysis of 83 pesticides and 12 dioxin-like polychlorinated biphenyls in wine by gas chromatography-time-of-flight mass spectrometry
Sangram H. Patil, Kaushik Banerjee, Soma Dasgupta, Dasharath P. Oulkar, Shubhangi B. Patil, Manjusha R. Jadhav, Rahul H. Savant, Pandurang G. Adsule, Madhukar B. Deshmukh • J of Chromatography A, 1216 (2009) 2307-2319

Rapid analysis of Volatile Flavor Compounds in Apple Fruit using SPME and GC/Time-of-Flight Mass Spectrometry
J Song, BD Gardner, JF Holland, RM Beaudry • Journal of Agri & Food Chem; 1997, 45/#5; 1801-1807

High-Speed Characterization and Analysis of Orange Oils with Tandem Column Stop-Flow GC and Time-of-Flight MS
T. Veriotti, R. Sacks • Analytical Chemistry; 2002, 74/#21; 5635-5640

New Technologies for the High-Speed Characterization and Analysis of Essential Oils
T. Veriotti, M. McGuigan, R. Sacks • Perfumer & Flavorist; 2002, 27(5); 40-49

High-Speed GC and GC/TOFMS of Lemon and Lime Oil samples
T. Veriotti, R. Sacks • Analytical Chemistry; 2001, 73/#18; 4395-4402

Application of comprehensive two-dimensional gas chromatography (GC x GC) to the qualitative analysis of essential oils
JMD Dimandja, SB Stanfill, J. Grainger, DG Patterson • J of High Resol Chrom; 2000 23/#3; 208-214

Rapid Characterization of Hop Oils using GC-Time-of-Flight Mass Spectrometry
MR Roberts, AC Lewis • J of Amer Society Brewing Chemists; 2002, 60/#3; 116-121

Fast GC-MS Characterization of Flavor Mixtures
N. Brichford, R. Parry • Food Testing & Analysis; 1997, 3/#3
email: target@primenet.com

Evaluation of two-dimensional gas chromatography-time-of-flight mass spectrometry for the determination of multiple pesticide residues in fruit
J. Zrostlíková, J. Hajslová, T. Cajka • J. of Chrom. A; 2003, 1019(1-2); 173-186

Alternative GC-MS approaches in the analysis of substituted pyrazines and other volatile aromatic compounds formed during maillard reaction in potato chips
L Lojzova, K. Riddellova, J. Hajslová, J. Zrostlíková, J. Schurek, T. Cajka • Analytica Chim. Acta; 2009, 641(1-2), 101-109

Determination of trichothecenes in wheat grain without sample clean-up using comprehensive tow-dimensional gas chromatography-time-of-flight mass spectrometry
H. Jelen, E. Wasowicz • J. of Chrom. A; 2008, 1215(1-2), 203-207

Aroma profiles of five basil (Ocimum basilicum L.) cultivars grown under conventional and organic conditions
E. Klimánková, K. Holadová, J. Hajslová, T. Cajka, J. Poustka, M. Koudela • Food Chemistry; 2008, 107(1), 464-472

Traceability of honey origin based on volatiles pattern processing by artificial neural networks (PDF)
T. Cajka, J. Hajslová,, F. Pudil, K. Riddellova • J. of Chrom. A; 2009, 1216, 1458-1462

Back to Top

Metabolomics

Evolution and Revolution (PDF)
Tony Bristow, Pharmaceutical Development, AstraZeneca • European Pharmaceutical Review; 2011, Vol. 16, Number 3, Pages 13-15

A Strategy for Identifying Differences in Large Series of Metabolomic Samples Analyzed by GC/MS
• Pär Jonsson, Jonas Gullberg, Anders Nordström, Miyako Kusano, Mariusz Kowalczyk, Michael Sjöström, and Thomas Moritz • Analytical Chemistry; 2004; ASAP Web Release Date: 11-Feb-2004 • (Article) DOI: 10.1021/ac0352427

Construction and application of mass spectral and retention time index database generated from plant GC/EI-TOF-MS metabolite profiles
C Wagner, M Sefkow, J Kopka • Phytochemistry; 2003, 62/#6; 887-900

Metabolic Profiling: Its Role in Biomarker Discovery and Gene Function Analysis
• edited by George G. Harrigan, Pharmacia Corporation, Chesterfield, MO, USA and Royston Goodacre, University of Manchester Institute of Science and Technology (UMIST), UK

Max Planck Institute of Molecular Plant Physiology: Metabolomic Analysis

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry.
• Warwick B Dunn, David Broadhurst, Paul Begley, Eva Zelena, Sue Francis-McIntyre, Nadine Anderson, Marie Brown, Joshau D Knowles, Antony Halsall, John N Haselden, Andrew W Nicholls, Ian D Wilson, Douglas B Kell, Royston Goodacre & The Human Serum Metabolome (HUSERMET) Consortium • Nature Protocols; Published online June 30, 2011 • 1060-1083

Semi-Automated Non-Target Processing in GCxGC–MS Metabolomics Analysis: Applicability for Biomedical Studies
Maud M. Koek, Frans M. van der Kloet, Robert Kleemann, Teake Kooistra, Elwin R. Verheij, Thomas Hankemeier • Metabolomics; 2010, 1573-3882 (Print), 1573-3890 (Online)

Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: metabolomic analysis of mouse tissue extracts
R.A. Shellie, W. Welthagen, J. Zrostlíková, J. Spranger, M. Ristow, O. Fiehn, R. Zimmermann • J. of Chrom. A; 2005, 1086(1-2), 83-90

Back to Top

Petrochemical

Alkyl Phosphates in Petroleum Samples: A Surprising Analytical Challenge
Aleisha D. Rossé and James J. Harynuk, Department of Chemistry, University of Alberta, Edmondton, Alberta, Canada • The article appeared in the March 19, 2010 Vol. 6, Number 5 issue of The Column Pages 3-7

Group-type identification of oil samples using comprehensive two-dimensional gas chromatography coupled to a time-of-flight mass spectrometer (GC x GC-TOF)
M van Deursen, J Beens, J Reijenga, P Lipman, C Cramers, J Blomberg • J of High Resol Chrom, 2000, 23/#7-8; 507-510

High-Speed GC/MS of Gasoline-Range Hydrocarbon Compounds Using a Pressure-Tunable Column Ensemble and Time-of-Flight Detection
T. Veriotti, R. Sacks • Analytical Chemistry, 2000, 72/#14; 3063-3069

Methodology for the Derivatization and Quantification of Dialkyl Phosphate Esters in Petroleum Samples
Aleisha D. Rossé, James J. Harynuk • Analytical Methods, 2010, 2, 1176-1179

Back to Top

Miscellaneous

Multiple Dimensions of Separations: SPME with GCxGC and GCxGC–TOF-MS
Nicholas H. Snow • Jerianne Sinex • Mandelle Danser • LC/GC Europe; 2010, 23/#5

Analysis of Pharmaceutical Residual Solvents Using Comprehensive Two-Dimensional Gas Chromatography
Christina M. Crimi • Nicholas H. Snow • LC/GC North America; 2008

Non-linear Ion Acceleration for Improved Space Focusing in Time-of-Flight Mass Spectrometry
B.D. Gardner, J.F. Holland • J. Am. Soc for Mass Spectrom; 1999, 10/#11; 1067-1073

Optimization and characterization of comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometric detection (GC x GC-TOFMS)
J Dalluge, RJJ Vreuls, J Beens • J Sep Sci; Mar 2002, 25/#4; 201-214

High-Speed GC and GC/MS with a Series Coupled Column Ensemble Using Stop-Flow Operation
T. Veriotti, R. Sacks • Analytical Chemistry; 2001, 73/#13; 3045-3050

A Tandem Column Ensemble with an Atmospheric-Pressure Junction-Point Vent for High-Speed GC with Selective Control of Peak-pair Separation
T. Veriotti, R. Sacks • Analytical Chemistry; 2001, 73/#4; 813-819

Pulsed Flow Modulation for High-Speed GC Using a Pressure-Tunable Column Ensemble
T. Veriotti, M. McGuigan, R. Sacks • Analytical Chemistry; 2001, 73/#2; 279-285

Advancing the Science of Column Selectivity
R. Sacks, C. Coutant, A. Grall • Analytical Chemistry A-Pages; 2000, 72/#15; 524A-533A

Pressure-Tunable Dual-Column Ensembles for High-Speed GC and GC/MS
R. Sacks, C. Coutant, T. Veriotti, A. Grall • J. High Resol Chrom; 2000, 23/#3; 225-234

Tunable-Column Selectivity and Time-of-Flight Detection for High-Speed GC/MS
C. Coutant, R. Sacks • Analytical Chemistry; 1999, 71/#22; 5177-5184

On the Interpretation of GCxGC Data (PDF)
J. Harynuk, T. Gorecki • LC-GC; Sept. 2002, Vol 20 #9; 876-892

A Model of Peak Amplitude Enhancement In Orthogonal Two-Dimensional Gas Chromatography
AC Lewis, KD Bartle, AL Lee • Analytical Chemistry; 2001, 73/#6; 1330-1335

Design Considerations for a GC x GC System
J Harynuk, T Gorecki • J. Sep Sci; 2002, 25/#5-6; 304-310

Peak Amplitude and Resolution in Comprehensive Gas Chromatography Using Valve Modulation
Jacquelin F Hamilton (Sch of Chem Univ of Leeds, Leeds UK), Alastari C Lewis (Sch of Chem Univ of Leeds and Sch of Environment Univ of Leeds), Keith D Bartle (Sch of Chem Univ of Leeds, Leeds UK) • J. Sep Sci; May 2003, Vol 26 #6-7; 578-584

Rapid Analysis of PAHs in Fly Ash Using Thermal Desorption and Fast GC-TOFMS
Zhou, Liu, Pan, Riley, Xu • J of Chromatographic Science; May/June 2003, Vol. 41, 245-250

Evaluation of Two-Dimensional Gas Chromatography—Time-of-Flight Mass Spectrometry for the Determination of Multiple Pesticide Residues in Fruit
Jitka Zrostlíková, Jana Hajslová, Tomás Cajka • Journal of Chromatography A; 1019 (2003) 173-186

Characterization of military fog oil by comprehensive two-dimensional gas chromatography
Anja Kohl, Jack Cochran, and Donald M. Cropek • Journal of Chromatography A; November 2009

The fog's clearing
Steve Down • www.separationsnow.com;
December 2009

Back to Top