Comprehensive two-dimensional gas chromatography in metabolomics

Analytical and Bioanalytical Chemistry

Volumn 402, Issue 6, 2012, Pages 1993-2013

  Almstetter, Martin F ^a   Oefner, Peter J ^a   Dettmer, Katja ^a  

^a UNIVERSITY OF REGENSBURG   (Germany)

Author keywords

Comprehensive two dimensional gas chromatography; Metabolic fingerprinting; Metabolite profiling; Metabolomics

Indexed keywords

ANALYTICAL TECHNIQUES; COMPLEX SAMPLES; COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY; ENVIRONMENTAL FACTORS; METABOLIC FINGERPRINTING; METABOLITE PROFILES; METABOLITE PROFILING; METABOLOMICS; PEAK RESOLUTION; REPRODUCIBILITIES; SEPARATION CAPACITY;

CHROMATOGRAPHY; DIALYSIS; METABOLISM; METABOLITES; TISSUE;

SMOKE DETECTORS;

ANIMAL; ARTICLE; BACTERIUM; GAS CHROMATOGRAPHY; HUMAN; METABOLISM; METABOLOME; METABOLOMICS; METHODOLOGY; PLANT; YEAST;

ANIMALS; BACTERIA; CHROMATOGRAPHY, GAS; HUMANS; METABOLOME; METABOLOMICS; PLANTS; YEASTS;

BACTERIA (MICROORGANISMS);

EID: 84858702392     PISSN: 16182642     EISSN: 16182650     Source Type: Journal    
DOI: 10.1007/s00216-011-5630-y     Document Type: Article

References (129)

1. FJ Bruggeman HV Westerhoff 2007 The nature of systems biology Trends Microbiol 15 1 45 50 1:CAS:528:DC%2BD2sXisVSkuw%3D%3D (Pubitemid 46043550)
2. J van der Greef S Martin P Juhasz A Adourian T Plasterer ER Verheij RN McBurney 2007 The art and practice of systems biology in medicine: mapping patterns of relationships J Proteome Res 6 4 1540 1559 (Pubitemid 46724052)
3. E Urbanczyk-Wochniak A Luedemann J Kopka J Selbig U Roessner-Tunali L Willmitzer AR Fernie 2003 Parallel analysis of transcript and metabolic profiles: a new approach in systems biology EMBO Rep 4 10 989 993 1:CAS:528:DC%2BD3sXnslaqt7g%3D (Pubitemid 37407468)
4. WB Dunn NJ Bailey HE Johnson 2005 Measuring the metabolome: current analytical technologies Analyst 130 5 606 625 1:CAS:528:DC%2BD2MXjsFOnurw%3D (Pubitemid 40685888)
5. DB Kell 2009 Iron behaving badly: inappropriate iron chelation as a major contributor to the aetiology of vascular and other progressive inflammatory and degenerative diseases BMC Med Genomics 2 2
6. S Mounicou J Szpunar R Lobinski 2009 Metallomics: the concept and methodology Chem Soc Rev 38 4 1119 1138 1:CAS:528:DC%2BD1MXjsFaju74%3D
7. K Dettmer BD Hammock 2004 Metabolomics-a new exciting field within the "omics" sciences Environ Health Perspect 112 7 A396 A397
8. J Forster I Famili P Fu BO Palsson J Nielsen 2003 Genome-scale reconstruction of the Saccharomyces cerevisiae metabolic network Genome Res 13 2 244 253 1:CAS:528:DC%2BD3sXhtlCrsLo%3D (Pubitemid 36581837)
9. O Fiehn 2002 Metabolomics-the link between genotypes and phenotypes Plant Mol Biol 48 1-2 155 171 1:CAS:528:DC%2BD38Xht1Kqtr0%3D
10. JK Nicholson JC Lindon E Holmes 1999 'Metabonomics': understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data Xenobiotica 29 11 1181 1189 1:CAS:528:DyaK1MXns12ms7k%3D
11. I Nobeli H Ponstingl EB Krissinel JM Thornton 2003 A structure-based anatomy of the E.coli metabolome J Mol Biol 334 4 697 719 1:CAS:528: DC%2BD3sXovF2ktbc%3D
12. MJ Herrgard N Swainston P Dobson WB Dunn KY Arga M Arvas N Bluthgen S Borger R Costenoble M Heinemann M Hucka N Le Novere P Li W Liebermeister ML Mo AP Oliveira D Petranovic S Pettifer E Simeonidis K Smallbone I Spasic D Weichart R Brent DS Broomhead HV Westerhoff B Kirdar M Penttila E Klipp BO Palsson U Sauer SG Oliver P Mendes J Nielsen DB Kell 2008 A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology Nat Biotechnol 26 10 1155 1160 1:CAS:528:DC%2BD1cXht1aisrvM
13. Wishart DS, Knox C, Guo AC, Eisner R, Young N, Gautam B, Hau DD, Psychogios N, Dong E, Bouatra S, Mandal R, Sinelnikov I, Xia J, Jia L, Cruz JA, Lim E, Sobsey CA, Shrivastava S, Huang P, Liu P, Fang L, Peng J, Fradette R, Cheng D, Tzur D, Clements M, Lewis A, De Souza A, Zuniga A, Dawe M, Xiong Y, Clive D, Greiner R, Nazyrova A, Shaykhutdinov R, Li L, Vogel HJ, Forsythe I (2009) HMDB: a knowledgebase for the human metabolome. Nucleic Acids Res 37(Database issue):D603-D610
14. NC Duarte SA Becker N Jamshidi I Thiele ML Mo TD Vo R Srivas BO Palsson 2007 Global reconstruction of the human metabolic network based on genomic and bibliomic data Proc Natl Acad Sci U S A 104 6 1777 1782 1:CAS:528: DC%2BD2sXitVaqu7w%3D (Pubitemid 46239855)
15. R Hall M Beale O Fiehn N Hardy L Sumner R Bino 2002 Plant metabolomics: the missing link in functional genomics strategies Plant Cell 14 7 1437 1440 1:CAS:528:DC%2BD38XlvV2rsLs%3D (Pubitemid 34824863)
16. KM Oksman-Caldentey K Saito 2005 Integrating genomics and metabolomics for engineering plant metabolic pathways Curr Opin Biotechnol 16 2 174 179 1:CAS:528:DC%2BD2MXjtlalsr0%3D
17. J Smedsgaard J Nielsen 2005 Metabolite profiling of fungi and yeast: from phenotype to metabolome by MS and informatics J Exp Bot 56 410 273 286 1:CAS:528:DC%2BD2MXkt1Wlug%3D%3D (Pubitemid 40191444)
18. JK Nicholson E Holmes JC Lindon ID Wilson 2004 The challenges of modeling mammalian biocomplexity Nat Biotechnol 22 10 1268 1274 1:CAS:528: DC%2BD2cXotFGqtbc%3D (Pubitemid 39336780)
19. X Han RW Gross 2005 Shotgun lipidomics: multidimensional MS analysis of cellular lipidomes Expert Rev Proteomics 2 2 253 264 1:CAS:528: DC%2BD2MXjt1ylsbg%3D (Pubitemid 40529863)
20. R Goodacre 2007 Metabolomics of a superorganism J Nutr 137 1 Suppl 259S 266S 1:CAS:528:DC%2BD2sXms1ensQ%3D%3D (Pubitemid 46070106)
21. SC Gates CC Sweeley 1978 Quantitative metabolic profiling based on gas chromatography Clin Chem 24 10 1663 1673 1:CAS:528:DyaE1MXhvVeqtA%3D%3D (Pubitemid 9028250)
22. A Aharoni CH Ric de Vos HA Verhoeven CA Maliepaard G Kruppa R Bino DB Goodenowe 2002 Nontargeted metabolome analysis by use of Fourier Transform Ion Cyclotron Mass Spectrometry Omics 6 3 217 234 1:CAS:528:DC%2BD38Xnsl2ktLY%3D (Pubitemid 35278415)
23. DI Ellis WB Dunn JL Griffin JW Allwood R Goodacre 2007 Metabolic fingerprinting as a diagnostic tool Pharmacogenomics 8 9 1243 1266 1:CAS:528:DC%2BD2sXhtlKhtrzF (Pubitemid 47578232)
24. J Allen HM Davey D Broadhurst JK Heald JJ Rowland SG Oliver DB Kell 2003 High-throughput classification of yeast mutants for functional genomics using metabolic footprinting Nat Biotechnol 21 6 692 696 1:CAS:528: DC%2BD3sXktFSlu78%3D (Pubitemid 36638098)
25. NN Kaderbhai DI Broadhurst DI Ellis R Goodacre DB Kell 2003 Functional genomics via metabolic footprinting: monitoring metabolite secretion by Escherichia coli tryptophan metabolism mutants using FT-IR and direct injection electrospray mass spectrometry Comp Funct Genomics 4 4 376 391 1:CAS:528:DC%2BD3sXnsV2jt74%3D (Pubitemid 37107298)
26. F Dieterle B Riefke G Schlotterbeck A Ross H Senn A Amberg 2011 NMR and MS methods for metabonomics Methods Mol Biol 691 385 415 1:CAS:528: DC%2BC3cXhsFOgur%2FN
27. W Gronwald MS Klein H Kaspar SR Fagerer N Nurnberger K Dettmer T Bertsch PJ Oefner 2008 Urinary metabolite quantification employing 2D NMR spectroscopy Anal Chem 80 23 9288 9297 1:CAS:528:DC%2BD1cXhtlSnurnN
28. K Dettmer PA Aronov BD Hammock 2007 Mass spectrometry-based metabolomics Mass Spectrom Rev 26 1 51 78 1:CAS:528:DC%2BD2sXht1anur8%3D (Pubitemid 46051813)
29. Theodoridis G, Gika HG, Wilson ID (2011) Mass spectrometry-based holistic analytical approaches for metabolite profiling in systems biology studies. Mass Spectrom Rev 30(5):884-906
30. R Ramautar OA Mayboroda GW Somsen GJ de Jong 2011 CE-MS for metabolomics: developments and applications in the period 2008-2010 Electrophoresis 32 1 52 65 1:CAS:528:DC%2BC3cXhsFyjtrvE
31. DI Ellis R Goodacre 2006 Metabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy Analyst 131 8 875 885 1:CAS:528:DC%2BD28Xnt1ags7g%3D (Pubitemid 44126542)
32. B Biais JW Allwood C Deborde Y Xu M Maucourt B Beauvoit WB Dunn D Jacob R Goodacre D Rolin A Moing 2009 1H NMR, GC-EI-TOFMS, and data set correlation for fruit metabolomics: application to spatial metabolite analysis in melon Anal Chem 81 8 2884 2894 1:CAS:528:DC%2BD1MXjtl2qtr8%3D
33. t'Kindt R, Morreel K, Deforce D, Boerjan W, Van Bocxlaer J (2009) Joint GC-MS and LC-MS platforms for comprehensive plant metabolomics: repeatability and sample pre-treatment. J Chromatogr B Analyt Technol Biomed Life Sci 877(29):3572-3580
34. MS Klein MF Almstetter G Schlamberger N Nurnberger K Dettmer PJ Oefner HH Meyer S Wiedemann W Gronwald 2010 Nuclear magnetic resonance and mass spectrometry-based milk metabolomics in dairy cows during early and late lactation J Dairy Sci 93 4 1539 1550 1:CAS:528:DC%2BC3cXms1arurs%3D
35. U Roessner C Wagner J Kopka RN Trethewey L Willmitzer 2000 Technical advance: simultaneous analysis of metabolites in potato tuber by gas chromatography-mass spectrometry Plant J 23 1 131 142 1:CAS:528: DC%2BD3cXlvFWnsrc%3D (Pubitemid 30597788)
36. ZY Liu JB Philips 1991 Comprehensive 2-dimensional gas-chromatography using an on-column thermal modulator interface J Chromatogr Sci 29 6 227 231 1:CAS:528:DyaK3MXlt1Gqu70%3D
37. L Mondello PQ Tranchida P Dugo G Dugo 2008 Comprehensive two-dimensional gas chromatography-mass spectrometry: a review Mass Spectrom Rev 27 2 101 124 1:CAS:528:DC%2BD1cXktVKkur8%3D (Pubitemid 351315897)
38. MF Almstetter IJ Appel MA Gruber C Lottaz B Timischl R Spang K Dettmer PJ Oefner 2009 Integrative normalization and comparative analysis for metabolic fingerprinting by comprehensive two-dimensional gas chromatography-time-of- flight mass spectrometry Anal Chem 81 14 5731 5739 1:CAS:528: DC%2BD1MXnt1Wku7s%3D
39. Bertsch W (2000) Two-dimensional gas chromatography. Concepts, instrumentation, and applications - Part 2: comprehensive two-dimensional gas chromatography. J High Resol Chromatogr 23(3):167-181 (Pubitemid 30229271)
40. T Gorecki J Harynuk O Panic 2004 The evolution of comprehensive two-dimensional gas chromatography (GC x GC) J Sep Sci 27 5-6 359 379 1:CAS:528:DC%2BD2cXjtlOjurY%3D (Pubitemid 38559792)
41. MM Koek B Muilwijk LL van Stee T Hankemeier 2008 Higher mass loadability in comprehensive two-dimensional gas chromatography-mass spectrometry for improved analytical performance in metabolomics analysis J Chromatogr A 1186 1-2 420 429 1:CAS:528:DC%2BD1cXjtlKitbs%3D
42. KA Kouremenos J Pitt PJ Marriott 2010 Metabolic profiling of infant urine using comprehensive two-dimensional gas chromatography: application to the diagnosis of organic acidurias and biomarker discovery J Chromatogr A 1217 1 104 111 1:CAS:528:DC%2BD1MXhsFyktbvN
43. MC Waldhier MF Almstetter N Nurnberger MA Gruber K Dettmer PJ Oefner 2011 Improved enantiomer resolution and quantification of free D-amino acids in serum and urine by comprehensive two-dimensional gas chromatography-time-of- flight mass spectrometry J Chromatogr A 1218 28 4537 4544 1:CAS:528: DC%2BC3MXotVGmsbk%3D
44. M Junge H Huegel PJ Marriott 2007 Enantiomeric analysis of amino acids by using comprehensive two-dimensional gas chromatography Chirality 19 3 228 234 1:CAS:528:DC%2BD2sXit1alsLw%3D
45. U Theobald W Mailinger M Reuss M Rizzi 1993 In vivo analysis of glucose-induced fast changes in yeast adenine nucleotide pool applying a rapid sampling technique Anal Biochem 214 1 31 37 1:CAS:528:DyaK3sXms1Gltb4%3D (Pubitemid 23300349)
46. SG Villas-Boas J Hojer-Pedersen M Akesson J Smedsgaard J Nielsen 2005 Global metabolite analysis of yeast: evaluation of sample preparation methods Yeast 22 14 1155 1169 1:CAS:528:DC%2BD2MXht1ektb%2FE (Pubitemid 41684146)
47. H Wu AD Southam A Hines MR Viant 2008 High-throughput tissue extraction protocol for NMR- and MS-based metabolomics Anal Biochem 372 2 204 212 1:CAS:528:DC%2BD2sXhtlGjtb%2FL (Pubitemid 350116777)
48. M Kohler S Machill R Salzer C Krafft 2009 Characterization of lipid extracts from brain tissue and tumors using Raman spectroscopy and mass spectrometry Anal Bioanal Chem 393 5 1513 1520
49. EJ Want G O'Maille CA Smith TR Brandon W Uritboonthai C Qin SA Trauger G Siuzdak 2006 Solvent-dependent metabolite distribution, clustering, and protein extraction for serum profiling with mass spectrometry Anal Chem 78 3 743 752 1:CAS:528:DC%2BD28XhtFehurs%3D (Pubitemid 43228581)
50. SJ Bruce I Tavazzi V Parisod S Rezzi S Kochhar PA Guy 2009 Investigation of human blood plasma sample preparation for performing metabolomics using ultrahigh performance liquid chromatography/mass spectrometry Anal Chem 81 9 3285 3296 1:CAS:528:DC%2BD1MXjslyqsLY%3D
51. JD Shoemaker WH Elliot 1991 Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease J Chromatogr B: Biomed Sci Appl 562 1-2 125 138 1:CAS:528:DyaK3MXhs1Shtbg%3D
52. P Husek 1998 Chloroformates in gas chromatography as general purpose derivatizing agents J Chromatogr B: Biomed Sci Appl 717 1-2 57 91 1:CAS:528:DyaK1cXnt12ntrk%3D (Pubitemid 28464594)
53. SG Villas-Boas DG Delicado M Akesson J Nielsen 2003 Simultaneous analysis of amino and nonamino organic acids as methyl chloroformate derivatives using gas chromatography-mass spectrometry Anal Biochem 322 1 134 138 1:CAS:528:DC%2BD3sXns1Kktb8%3D (Pubitemid 37188567)
54. K Eder 1995 Gas chromatographic analysis of fatty acid methyl esters J Chromatogr B Biomed Appl 671 1-2 113 131 1:CAS:528:DyaK2MXotFCks7w%3D
55. JM Halket VG Zaikin 2003 Derivatization in mass spectrometry - 1. Silylation Eur J Mass Spectrom (Chichester, Eng) 9 1 1 21 1:CAS:528: DC%2BD3sXjvFGkurk%3D (Pubitemid 36618734)
56. D Steinhauser J Kopka 2007 Methods, applications and concepts of metabolite profiling: primary metabolism EXS 97 171 194 1:CAS:528: DC%2BD2sXls1yqsb4%3D
57. K Dettmer MF Almstetter IJ Appel N Nurnberger G Schlamberger W Gronwald HH Meyer PJ Oefner 2010 Comparison of serum versus plasma collection in gas chromatography-mass spectrometry-based metabolomics Electrophoresis 31 14 2365 2373 1:CAS:528:DC%2BC3cXpt1Cktr8%3D
58. S Ahola-Erkkila CJ Carroll K Peltola-Mjosund V Tulkki I Mattila T Seppanen-Laakso M Oresic H Tyynismaa A Suomalainen 2010 Ketogenic diet slows down mitochondrial myopathy progression in mice Hum Mol Genet 19 10 1974 1984 1:CAS:528:DC%2BC3cXlsV2qsb4%3D
59. H Tyynismaa CJ Carroll N Raimundo S Ahola-Erkkila T Wenz H Ruhanen K Guse A Hemminki KE Peltola-Mjosund V Tulkki M Oresic CT Moraes K Pietilainen I Hovatta A Suomalainen 2010 Mitochondrial myopathy induces a starvation-like response Hum Mol Genet 19 20 3948 3958 1:CAS:528:DC%2BC3cXht1eqtL%2FK
60. VM Asiago LZ Alvarado N Shanaiah GA Gowda K Owusu-Sarfo RA Ballas D Raftery 2010 Early detection of recurrent breast cancer using metabolite profiling Cancer Res 70 21 8309 8318 1:CAS:528:DC%2BC3cXhtlKjtrnP
61. M Lankinen U Schwab T Seppanen-Laakso I Mattila K Juntunen H Mykkanen K Poutanen H Gylling M Oresic 2010 Metabolomic analysis of plasma metabolites that may mediate effects of rye bread on satiety and weight maintenance in postmenopausal women J Nutr 141 1 31 36
62. AC Beckstrom EM Humston LR Snyder RE Synovec SE Juul 2011 Application of comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry method to identify potential biomarkers of perinatal asphyxia in a non-human primate model J Chromatogr A 1218 14 1899 1906 1:CAS:528: DC%2BC3MXjsV2nsL4%3D
63. X Li Z Xu X Lu X Yang P Yin H Kong Y Yu G Xu 2009 Comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry for metabonomics: biomarker discovery for diabetes mellitus Anal Chim Acta 633 2 257 262 1:CAS:528:DC%2BD1MXhtF2jtLc%3D
64. M Oresic S Simell M Sysi-Aho K Nanto-Salonen T Seppanen-Laakso V Parikka M Katajamaa A Hekkala I Mattila P Keskinen L Yetukuri A Reinikainen J Lahde T Suortti J Hakalax T Simell H Hyoty R Veijola J Ilonen R Lahesmaa M Knip O Simell 2008 Dysregulation of lipid and amino acid metabolism precedes islet autoimmunity in children who later progress to type 1 diabetes J Exp Med 205 13 2975 2984 1:CAS:528:DC%2BD1MXosFCg
65. M Oresic J Tang T Seppanen-Laakso I Mattila SE Saarni SI Saarni J Lonnqvist M Sysi-Aho T Hyotylainen J Perala J Suvisaari 2011 Metabolome in schizophrenia and other psychotic disorders: a general population-based study Genome Med 3 3 19 1:CAS:528:DC%2BC3MXltFKmuro%3D
66. VR Velagapudi R Hezaveh CS Reigstad P Gopalacharyulu L Yetukuri S Islam J Felin R Perkins J Boren M Oresic F Backhed 2010 The gut microbiota modulates host energy and lipid metabolism in mice J Lipid Res 51 5 1101 1112 1:CAS:528:DC%2BC3cXltlWktL8%3D
67. PQ Tranchida R Costa P Donato D Sciarrone C Ragonese P Dugo G Dugo L Mondello 2008 Acquisition of deeper knowledge on the human plasma fatty acid profile exploiting comprehensive 2-D GC J Sep Sci 31 19 3347 3351 1:CAS:528:DC%2BD1cXhsVSmsL7E
68. EA McGaw KW Phinney MS Lowenthal 2010 Comparison of orthogonal liquid and gas chromatography-mass spectrometry platforms for the determination of amino acid concentrations in human plasma J Chromatogr A 1217 37 5822 5831 1:CAS:528:DC%2BC3cXhtVKgsbfF
69. X Huang FE Regnier 2008 Differential metabolomics using stable isotope labeling and two-dimensional gas chromatography with time-of-flight mass spectrometry Anal Chem 80 1 107 114 1:CAS:528:DC%2BD2sXhtlymsr7P (Pubitemid 351448410)
70. S O'Hagan WB Dunn JD Knowles D Broadhurst R Williams JJ Ashworth M Cameron DB Kell 2007 Closed-loop, multiobjective optimization of two-dimensional gas chromatography/mass spectrometry for serum metabolomics Anal Chem 79 2 464 476 (Pubitemid 46106111)
71. T Gröger R Zimmermann 2011 Application of parallel computing to speed up chemometrics for GCxGC-TOFMS based metabolic fingerprinting Talanta 83 4 1289 1294
72. P Wojtowicz J Zrostlikova T Kovalczuk J Schurek T Adam 2010 Evaluation of comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry for the diagnosis of inherited metabolic disorders using an automated data processing strategy J Chromatogr A 1217 51 8054 8061 1:CAS:528:DC%2BC3cXhsV2jtL7F
73. KA Kouremenos JJ Harynuk WL Winniford PD Morrison PJ Marriott 2010 One-pot microwave derivatization of target compounds relevant to metabolomics with comprehensive two-dimensional gas chromatography J Chromatogr B Analyt Technol Biomed Life Sci 878 21 1761 1770 1:CAS:528:DC%2BC3cXnvV2qt7k%3D
74. AE Sinha JL Hope BJ Prazen EJ Nilsson RM Jack RE Synovec 2004 Algorithm for locating analytes of interest based on mass spectral similarity in GC x GC-TOF-MS data: analysis of metabolites in human infant urine J Chromatogr A 1058 1-2 209 215 1:CAS:528:DC%2BD2cXpslGhsbY%3D (Pubitemid 39487222)
75. KK Pasikanti J Norasmara S Cai R Mahendran K Esuvaranathan PC Ho EC Chan 2010 Metabolic footprinting of tumorigenic and nontumorigenic uroepithelial cells using two-dimensional gas chromatography time-of-flight mass spectrometry Anal Bioanal Chem 398 3 1285 1293 1:CAS:528:DC%2BC3cXhtVyqs7fJ
76. K Kajander E Myllyluoma S Kyronpalo M Rasmussen P Sipponen I Mattila T Seppanen-Laakso H Vapaatalo M Oresic R Korpela 2009 Elevated pro-inflammatory and lipotoxic mucosal lipids characterise irritable bowel syndrome World J Gastroenterol 15 48 6068 6074 1:CAS:528:DC%2BC3cXhslCk
77. R Kleemann M van Erk L Verschuren AM van den Hoek M Koek PY Wielinga A Jie L Pellis I Bobeldijk-Pastorova T Kelder K Toet S Wopereis N Cnubben C Evelo B van Ommen T Kooistra 2010 Time-resolved and tissue-specific systems analysis of the pathogenesis of insulin resistance PLoS One 5 1 e8817
78. MM Koek FM van der Kloet R Kleemann T Kooistra ER Verheij T Hankemeier 2010 Semi-automated non-target processing in GC x GC-MS metabolomics analysis: applicability for biomedical studies Metabolomics 7 1 1 14
79. E Mervaala A Biala S Merasto J Lempiainen I Mattila E Martonen O Eriksson M Louhelainen P Finckenberg P Kaheinen DN Muller FC Luft R Lapatto M Oresic 2010 Metabolomics in angiotensin II-induced cardiac hypertrophy Hypertension 55 2 508 515 1:CAS:528:DC%2BC3cXotVaitA%3D%3D
80. W Welthagen RA Shellie J Spranger M Ristow R Zimmermann O Fiehn 2005 Comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOF) for high resolution metabolomics: biomarker discovery on spleen tissue extracts of obese NZO compared to lean C57BL/6 mice Metabolomics 1 1 65 73 1:CAS:528:DC%2BD28XmtVamsLk%3D (Pubitemid 40973873)
81. LR Snyder JC Hoggard TJ Montine RE Synovec 2010 Development and application of a comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry method for the analysis of L-beta-methylamino- alanine in human tissue J Chromatogr A 1217 27 4639 4647 1:CAS:528: DC%2BC3cXntlClu7Y%3D
82. X Guo ME Lidstrom 2008 Metabolite profiling analysis of Methylobacterium extorquens AM1 by comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry Biotechnol Bioeng 99 4 929 940 1:CAS:528:DC%2BD1cXit1Kqsrc%3D (Pubitemid 351320489)
83. S Yang M Sadilek RE Synovec ME Lidstrom 2009 Liquid chromatography-tandem quadrupole mass spectrometry and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry measurement of targeted metabolites of Methylobacterium extorquens AM1 grown on two different carbon sources J Chromatogr A 1216 15 3280 3289 1:CAS:528:DC%2BD1MXjsFaiurk%3D
84. Y Okubo S Yang L Chistoserdova ME Lidstrom 2010 Alternative route for glyoxylate consumption during growth on two-carbon compounds by Methylobacterium extorquens AM1 J Bacteriol 192 7 1813 1823 1:CAS:528:DC%2BC3cXksVOhsr0%3D
85. F David B Tienpont P Sandra 2008 Chemotaxonomy of bacteria by comprehensive GC and GC-MS in electron impact and chemical ionisation mode J Sep Sci 31 19 3395 3403 1:CAS:528:DC%2BD1cXhsVSmsL%2FI
86. RE Mohler KM Dombek JC Hoggard ET Young RE Synovec 2006 Comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry analysis of metabolites in fermenting and respiring yeast cells Anal Chem 78 8 2700 2709 1:CAS:528:DC%2BD28XhvFOgt7Y%3D
87. RE Mohler KM Dombek JC Hoggard KM Pierce ET Young RE Synovec 2007 Comprehensive analysis of yeast metabolite GC x GC-TOFMS data: combining discovery-mode and deconvolution chemometric software Analyst 132 8 756 767 1:CAS:528:DC%2BD2sXnvF2gsL0%3D (Pubitemid 47101562)
88. RE Mohler BP Tu KM Dombek JC Hoggard ET Young RE Synovec 2008 Identification and evaluation of cycling yeast metabolites in two-dimensional comprehensive gas chromatography-time-of-flight-mass spectrometry data J Chromatogr A 1186 1-2 401 411 1:CAS:528:DC%2BD1cXjtlKitb4%3D (Pubitemid 351375217)
89. EM Humston KM Dombek JC Hoggard ET Young RE Synovec 2008 Time-dependent profiling of metabolites from Snf1 mutant and wild type yeast cells Anal Chem 80 21 8002 8011 1:CAS:528:DC%2BD1cXhtFygtLnL
90. Humston EM, Dombek KM, Tu BP, Young ET, Synovec RE (2011) Toward a global analysis of metabolites in regulatory mutants of yeast. Anal Bioanal Chem
91. SJ Cooper GL Finney SL Brown SK Nelson J Hesselberth MJ MacCoss S Fields 2010 High-throughput profiling of amino acids in strains of the Saccharomyces cerevisiae deletion collection Genome Res 20 9 1288 1296 1:CAS:528: DC%2BC3cXhtFeru7vF
92. JL Hope BJ Prazen EJ Nilsson ME Lidstrom RE Synovec 2005 Comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry detection: analysis of amino acid and organic acid trimethylsilyl derivatives, with application to the analysis of metabolites in rye grass samples Talanta 65 2 380 388 1:CAS:528:DC%2BD2cXpslyjt7k%3D
93. KM Pierce JL Hope JC Hoggard RE Synovec 2006 A principal component analysis based method to discover chemical differences in comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GCxGC-TOFMS) separations of metabolites in plant samples Talanta 70 4 797 804 1:CAS:528:DC%2BD28XhtVWqt7rO (Pubitemid 44442353)
94. M Kusano A Fukushima M Kobayashi N Hayashi P Jonsson T Moritz K Ebana K Saito 2007 Application of a metabolomic method combining one-dimensional and two-dimensional gas chromatography-time-of-flight/mass spectrometry to metabolic phenotyping of natural variants in rice J Chromatogr B Analyt Technol Biomed Life Sci 855 1 71 79 1:CAS:528:DC%2BD2sXotVGms7k%3D (Pubitemid 47077730)
95. SS Merchant SE Prochnik O Vallon EH Harris SJ Karpowicz GB Witman A Terry A Salamov LK Fritz-Laylin L Marechal-Drouard WF Marshall LH Qu DR Nelson AA Sanderfoot MH Spalding VV Kapitonov Q Ren P Ferris E Lindquist H Shapiro SM Lucas J Grimwood J Schmutz P Cardol H Cerutti G Chanfreau CL Chen V Cognat MT Croft R Dent S Dutcher E Fernandez H Fukuzawa D Gonzalez-Ballester D Gonzalez-Halphen A Hallmann M Hanikenne M Hippler W Inwood K Jabbari M Kalanon R Kuras PA Lefebvre SD Lemaire AV Lobanov M Lohr A Manuell I Meier L Mets M Mittag T Mittelmeier JV Moroney J Moseley C Napoli AM Nedelcu K Niyogi SV Novoselov IT Paulsen G Pazour S Purton JP Ral DM Riano-Pachon W Riekhof L Rymarquis M Schroda D Stern J Umen R Willows N Wilson SL Zimmer J Allmer J Balk K Bisova CJ Chen M Elias K Gendler C Hauser MR Lamb H Ledford JC Long J Minagawa MD Page J Pan W Pootakham S Roje A Rose E Stahlberg AM Terauchi P Yang S Ball C Bowler CL Dieckmann VN Gladyshev P Green R Jorgensen S Mayfield B Mueller-Roeber S Rajamani RT Sayre P Brokstein I Dubchak D Goodstein L Hornick YW Huang J Jhaveri Y Luo D Martinez WC Ngau B Otillar A Poliakov A Porter L Szajkowski G Werner K Zhou IV Grigoriev DS Rokhsar AR Grossman 2007 The Chlamydomonas genome reveals the evolution of key animal and plant functions Science 318 5848 245 250 1:CAS:528:DC%2BD2sXhtFCjt7vJ
96. P May S Wienkoop S Kempa B Usadel N Christian J Rupprecht J Weiss L Recuenco-Munoz O Ebenhoh W Weckwerth D Walther 2008 Metabolomics- and proteomics-assisted genome annotation and analysis of the draft metabolic network of Chlamydomonas reinhardtii Genetics 179 1 157 166 1:CAS:528: DC%2BD1cXnsl2qs74%3D
97. S Kempa J Hummel T Schwemmer M Pietzke N Strehmel S Wienkoop J Kopka W Weckwerth 2009 An automated GCxGC-TOF-MS protocol for batch-wise extraction and alignment of mass isotopomer matrixes from differential 13C-labelling experiments: a case study for photoautotrophic-mixotrophic grown Chlamydomonas reinhardtii cells J Basic Microbiol 49 1 82 91 1:CAS:528:DC%2BD1MXkt12ms7s%3D
98. A Doebbe M Keck M La Russa JH Mussgnug B Hankamer E Tekce K Niehaus O Kruse 2010 The interplay of proton, electron, and metabolite supply for photosynthetic H2 production in Chlamydomonas reinhardtii J Biol Chem 285 39 30247 30260 1:CAS:528:DC%2BC3cXhtFKksL3J
99. JW Allwood A Erban S de Koning WB Dunn A Luedemann A Lommen L Kay R Loscher J Kopka R Goodacre 2009 Inter-laboratory reproducibility of fast gas chromatography-electron impact-time of flight mass spectrometry (GC-EI-TOF/MS) based plant metabolomics Metabolomics 5 4 479 496 1:CAS:528:DC%2BD1MXhsFGrurfO
100. SD Johanningsmeier RF McFeeters 2010 Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGC-TOFMS) J Food Sci 76 1 C168 C177
101. T Hyöyläinen M Kallio M Lehtonen S Lintonen P Perajoki M Jussila ML Riekkola 2004 Comprehensive two-dimensional gas chromatography in the analysis of dietary fatty acids J Sep Sci 27 5-6 459 467 (Pubitemid 38559801)
102. B Vlaeminck J Harynuk V Fievez PJ Marriott 2007 Comprehensive two-dimensional gas chromatography for the separation of fatty acids in milk Eur J Lipid Sci Technol 109 8 757 766 1:CAS:528:DC%2BD2sXhtVSnsr3K (Pubitemid 47312994)
103. R Mayadunne TT Nguyen PJ Marriott 2005 Amino acid analysis by using comprehensive two-dimensional gas chromatography Anal Bioanal Chem 382 3 836 847 1:CAS:528:DC%2BD2MXkslSrsLc%3D (Pubitemid 40891015)
104. MC Waldhier K Dettmer MA Gruber PJ Oefner 2010 Comparison of derivatization and chromatographic methods for GC-MS analysis of amino acid enantiomers in physiological samples J Chromatogr B Analyt Technol Biomed Life Sci 878 15-16 1103 1112 1:CAS:528:DC%2BC3cXlt1CksLk%3D
105. K Ralston-Hooper A Hopf C Oh X Zhang J Adamec MS Sepulveda 2008 Development of GCxGC/TOF-MS metabolomics for use in ecotoxicological studies with invertebrates Aquat Toxicol 88 1 48 52 1:CAS:528:DC%2BD1cXlslags7w%3D
106. Ralston-Hooper KJ, Adamec J, Jannash A, Mollenhauer R, Ochoa-Acuna H, Sepulveda MS (2011) Use of GC x GC/TOF-MS and LC/TOF-MS for metabolomic analysis of Hyalella azteca chronically exposed to atrazine and its primary metabolite, desethylatrazine. J Appl Toxicol 31(5):399-410
107. AM Aura I Mattila T Hyotylainen P Gopalacharyulu C Bounsaythip M Oresic KM Oksman-Caldentey 2010 Drug metabolome of the simvastatin formed by human intestinal microbiota in vitro Mol Biosyst 7 2 437 446
108. RA Harshman 1970 Foundations of the PARAFAC procedure: models and conditions for an "explanatory" multimodal factor analysis UCLA Working Papers in Phonetics 16 1 84
109. M Ni SE Reichenbach A Visvanathan J TerMaat EB Ledford Jr 2005 Peak pattern variations related to comprehensive two-dimensional gas chromatography acquisition J Chromatogr A 1086 1-2 165 170 1:CAS:528:DC%2BD2MXmvFSitLg%3D (Pubitemid 41033283)
110. BV Hollingsworth SE Reichenbach Q Tao A Visvanathan 2006 Comparative visualization for comprehensive two-dimensional gas chromatography J Chromatogr A 1105 1-2 51 58 1:CAS:528:DC%2BD28XovVWlsg%3D%3D (Pubitemid 43122045)
111. AE Sinha JL Hope BJ Prazen CG Fraga EJ Nilsson RE Synovec 2004 Multivariate selectivity as a metric for evaluating comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry subjected to chemometric peak deconvolution J Chromatogr A 1056 1-2 145 154 1:CAS:528:DC%2BD2cXpsFelsbw%3D (Pubitemid 39505118)
112. JC Hoggard RE Synovec 2007 Parallel factor analysis (PARAFAC) of target analytes in GC x GC-TOFMS data: automated selection of a model with an appropriate number of factors Anal Chem 79 4 1611 1619 1:CAS:528:DC%2BD2sXlsVKh
113. JC Hoggard RE Synovec 2008 Automated resolution of nontarget analyte signals in GC x GC-TOFMS data using parallel factor analysis Anal Chem 80 17 6677 6688 1:CAS:528:DC%2BD1cXpt1CjtL8%3D
114. KM Pierce JC Hoggard JL Hope PM Rainey AN Hoofnagle RM Jack BW Wright RE Synovec 2006 Fisher ratio method applied to third-order separation data to identify significant chemical components of metabolite extracts Anal Chem 78 14 5068 5075 1:CAS:528:DC%2BD28Xlt1Giurw%3D (Pubitemid 44100643)
115. RA Shellie W Welthagen J Zrostlikova J Spranger M Ristow O Fiehn R Zimmermann 2005 Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: metabolomic analysis of mouse tissue extracts J Chromatogr A 1086 1-2 83 90 1:CAS:528:DC%2BD2MXmvFSitbY%3D (Pubitemid 41033272)
116. CG Fraga BJ Prazen RE Synovec 2001 Objective data alignment and chemometric analysis of comprehensive two-dimensional separations with run-to-run peak shifting on both dimensions Anal Chem 73 24 5833 5840 1:CAS:528:DC%2BD3MXotV2nurs%3D (Pubitemid 34042198)
117. VG van Mispelaar AC Tas AK Smilde PJ Schoenmakers AC van Asten 2003 Quantitative analysis of target components by comprehensive two-dimensional gas chromatography J Chromatogr A 1019 1-2 15 29 (Pubitemid 37329894)
118. KM Pierce LF Wood BW Wright RE Synovec 2005 A comprehensive two-dimensional retention time alignment algorithm to enhance chemometric analysis of comprehensive two-dimensional separation data Anal Chem 77 23 7735 7743 1:CAS:528:DC%2BD2MXhtFegsrjJ (Pubitemid 41746241)
119. D Zhang X Huang FE Regnier M Zhang 2008 Two-dimensional correlation optimized warping algorithm for aligning GC x GC-MS data Anal Chem 80 8 2664 2671 1:CAS:528:DC%2BD1cXjsVGnu7o%3D (Pubitemid 351556425)
120. C Oh X Huang FE Regnier C Buck X Zhang 2008 Comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry peak sorting algorithm J Chromatogr A 1179 2 205 215 1:CAS:528:DC%2BD1cXlvVKhsg%3D%3D
121. MF Almstetter IJ Appel K Dettmer MA Gruber PJ Oefner 2011 Comparison of two algorithmic data processing strategies for metabolic fingerprinting by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry J Chromatogr A 1218 39 7031 7038 1:CAS:528:DC%2BC3MXhtFehsLrK
122. B Wang A Fang J Heim B Bogdanov S Pugh M Libardoni X Zhang 2010 DISCO: distance and spectrum correlation optimization alignment for two-dimensional gas chromatography time-of-flight mass spectrometry-based metabolomics Anal Chem 82 12 5069 5081 1:CAS:528:DC%2BC3cXmtVyntrc%3D
123. S Castillo I Mattila J Miettinen M Oresic T Hyotylainen 2011 Data analysis tool for comprehensive two-dimensional gas chromatography/time-of- flight mass spectrometry Anal Chem 83 8 3058 3067 1:CAS:528:DC%2BC3MXjvVaktLc%3D
124. Abdi H (2007) Bonferroni and Sidak corrections for multiple comparisons. In: Salkind NJ (ed) Encyclopedia of measurement and statistics. Sage Publications, Thousand Oaks, pp 103-107
125. Westfall PH, Young SS (1993) Resampling-based multiple testing: examples and methods for P-value adjustment. John Wiley and Sons, New York
126. Y Benjamini Y Hochberg 1995 Controlling the false discovery rate: a practical and powerful approach to multiple testing Journal of the Royal Statistical Society: Series B 57 289 300
127. DI Broadhurst DB Kell 2006 Statistical strategies for avoiding false discoveries in metabolomics and related experiments Metabolomics 2 4 171 196 1:CAS:528:DC%2BD2sXhsVWktL4%3D (Pubitemid 46099798)
128. CJ Wachsmuth MF Almstetter MC Waldhier MA Gruber N Nurnberger PJ Oefner K Dettmer 2011 Performance evaluation of gas chromatography-atmospheric pressure chemical ionization-time-of-flight mass spectrometry for metabolic fingerprinting and profiling Anal Chem 83 19 7514 7522 1:CAS:528: DC%2BC3MXhtFCmtbbF
129. Reichenbach SE, Tian X, Tao Q, Ledford EB Jr., Wu Z, Fiehn O (2011) Informatics for cross-sample analysis with comprehensive two-dimensional gas chromatography and high-resolution mass spectrometry (GC×GC-HRMS). Talanta 83:1279-1288