Untargeted metabolomic profiling in saliva of smokers and nonsmokers by a validated GC-TOF-MS method

Journal of Proteome Research

Volumn 13, Issue 3, 2014, Pages 1602-1613

  Mueller, Daniel C ^a,b   Piller, Markus ^a   Niessner, Reinhard ^b   Scherer, Max ^a   Scherer, Gerhard ^a  

^a Analytisch Biologisches Forschungslabor (ABF) GmbH   (Germany)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

gas chromatography; human saliva; time of flight mass spectrometry; untargeted metabolomics; validation

Indexed keywords

2 OXOGLUTARIC ACID; 4 AMINOBUTYRIC ACID; 4 HYDROXYPHENYLACETIC ACID; ADENOSINE; ALANINE; CITRIC ACID; COTININE; CREATININE; DOPAMINE; GLUCOSE; GLUCOSE 6 PHOSPHATE; GLUCURONIC ACID; GLUTAMINE; GLYCEROL; GLYCINE; HOMOVANILLIC ACID; HYDROXYPROLINE; MANDELIC ACID; NICOTINIC ACID; OXALIC ACID; PROLINE; SORBITOL; SUCCINIC ACID; THYMIDINE; THYMINE; TRYPTOPHAN; TYRAMINE; TYROSINE; URIC ACID; VALINE;

ADULT; ARTICLE; BODY WEIGHT; CALORIC INTAKE; CONTROLLED STUDY; GAS CHROMATOGRAPHY; GLUCOSE METABOLISM; HUMAN; HUMAN EXPERIMENT; LIMIT OF QUANTITATION; MALE; METABOLOMICS; NORMAL HUMAN; PRIORITY JOURNAL; SALIVA ANALYSIS; SMOKING; TIME OF FLIGHT MASS SPECTROMETRY;

ADENOSINE; ADULT; BIOLOGICAL MARKERS; CASE-CONTROL STUDIES; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; GLUCOSE-6-PHOSPHATE; HUMANS; MALE; METABOLOME; MIDDLE AGED; REPRODUCIBILITY OF RESULTS; SALIVA; SENSITIVITY AND SPECIFICITY; SMOKING; SOFTWARE; TYRAMINE;

EID: 84896776873     PISSN: 15353893     EISSN: 15353907     Source Type: Journal    
DOI: 10.1021/pr401099r     Document Type: Article

References (57)

1. U.S. Department of Health and Human Services. Respiratory Health Effects of Passive Smoking: Lung Cancer and Other Disorders; National Cancer Institute: Bethesda, MD, 1993.
2. Peto, R.; Lopez, A. D.; Boreham, J.; Thun, M.; Heath, C.; Doll, R. Mortality from smoking worldwide Br. Med. Bull. 1996, 52 (1) 12-21
3. U.S. Department of Health and Human Services. The Health Consequences of Smoking: Cardiovascular Disease: A Report of the Surgeon General; Public Health Service: Rockville, MD, 1983.
4. Barnes, P. J.; Shapiro, S. D.; Pauwels, R. A. Chronic obstructive pulmonary disease: molecular and cellular mechanisms Eur. Respir. J. 2003, 22 (4) 672-88
5. Scanlon, P. D.; Connett, J. E.; Waller, L. A.; Altose, M. D.; Bailey, W. C.; Buist, S. A.; Tashkin, D. P. Smoking Cessation and Lung Function in Mild-to-Moderate Chronic Obstructive Pulmonary Disease Am. J. Respir. Critical Care Med. 2000, 161 (2) 381-390
6. U.S. Department of Health and Human Services. The Health Consequences of Smoking. Chronic Obstructive Lung Disease. A Report of the Surgeon General; U.S. Government Printing Office: Washington, DC, 1984.
7. Rodgman, A.; Perfetti, T. A. The chemical components of tobacco and tobacco smoke; CRC: Boca Raton, FL, 2008.
8. IARC Tobacco smoke and involunatry smoking IARC Monogr. Eval. Carcinog. Risks Hum. 2004, 83, 1-1438
9. Hecht, S. S. Tobacco smoke carcinogens and lung cancer JNCI, J. Natl. Cancer Inst. 1999, 91 (14) 1194-210
10. Fiehn, O. Metabolomics-the link between genotypes and phenotypes Plant Mol. Biol. 2002, 48 (1-2) 155-171
11. U.S. Department of Health and Human Services. How Tobacco Smoke Causes Disease: The Biology and Behavioral Basis for Smoking-Attributable Disease- A Report of the Surgeon General; National Library of Medicine Cataloging in Publication: Rockville, MD, 2010; pp 1-792.
12. Dunn, W. B.; Ellis, D. I. Metabolomics: Current analytical platforms and methodologies Trends Anal. Chem. 2005, 24 (4) 285-294
13. Dettmer, K.; Aronov, P. A.; Hammock, B. D. Mass spectrometry-based metabolomics Mass Spectrom. Rev. 2007, 26 (1) 51-78
14. Kind, T.; Tolstikov, V.; Fiehn, O.; Weiss, R. H. A comprehensive urinary metabolomic approach for identifying kidney cancer Anal. Biochem. 2007, 363 (2) 185-195
15. Wang-Sattler, R.; Yu, Y.; Mittelstrass, K.; Lattka, E.; Altmaier, E.; Gieger, C.; Ladwig, K. H.; Dahmen, N.; Weinberger, K. M.; Hao, P.; Liu, L.; Li, Y.; Wichmann, H. E.; Adamski, J.; Suhre, K.; Illig, T. Metabolic profiling reveals distinct variations linked to nicotine consumption in humans-first results from the KORA study PloS One 2008, 3 (12) e3863
16. Ellis, J. K.; Athersuch, T. J.; Thomas, L. D.; Teichert, F.; Perez-Trujillo, M.; Svendsen, C.; Spurgeon, D. J.; Singh, R.; Jarup, L.; Bundy, J. G.; Keun, H. C. Metabolic profiling detects early effects of environmental and lifestyle exposure to cadmium in a human population BMC Med. 2012, 10, 61
17. Rocha, S. M.; Caldeira, M.; Carrola, J.; Santos, M.; Cruz, N.; Duarte, I. F. Exploring the human urine metabolomic potentialities by comprehensive two-dimensional gas chromatography coupled to time of flight mass spectrometry J. Chromatogr. A 2012, 1252, 155-163
18. Takeda, I.; Stretch, C.; Barnaby, P.; Bhatnager, K.; Rankin, K.; Fu, H.; Weljie, A.; Jha, N.; Slupsky, C. Understanding the human salivary metabolome NMR Biomed. 2009, 22 (6) 577-84
19. Xu, T.; Holzapfel, C.; Dong, X.; Bader, E.; Yu, Z.; Prehn, C.; Perstorfer, K.; Jaremek, M.; Roemisch-Margl, W.; Rathmann, W.; Li, Y.; Wichmann, H. E.; Wallaschofski, H.; Ladwig, K. H.; Theis, F.; Suhre, K.; Adamski, J.; Illig, T.; Peters, A.; Wang-Sattler, R. Effects of smoking and smoking cessation on human serum metabolite profile: results from the KORA cohort study BMC Med. 2013, 11, 60-73
20. Hsu, P. C.; Zhou, B.; Zhao, Y.; Ressom, H. W.; Cheema, A. K.; Pickworth, W.; Shields, P. G. Feasibility of Identifying the Tobacco-related Global Metabolome in Blood by UPLC-QTOF-MS J. Proteome Res. 2012, 12 (2) 679-691
21. Walsh, M. C.; Brennan, L.; Malthouse, J. P. G.; Roche, H. M.; Gibney, M. J. Effect of acute dietary standardization on the urinary, plasma, and salivary metabolomic profiles of healthy humans Am. J. Clin. Nutr. 2006, 84 (3) 531-539
22. Zhang, A.; Sun, H.; Wang, P.; Han, Y.; Wang, X. Recent and potential developments of biofluid analyses in metabolomics J. Proteomics 2012, 75 (4) 1079-1088
23. Zhang, A.; Sun, H.; Wang, X. Saliva metabolomics opens door to biomarker discovery, disease diagnosis, and treatment Appl. Biochem. Biotechnol. 2012, 168 (6) 1718-1727
24. Winnike, J. H.; Busby, M. G.; Watkins, P. B.; O'Connell, T. M. Effects of a prolonged standardized diet on normalizing the human metabolome Am. J. Clin. Nutr. 2009, 90 (6) 1496-1501
25. Shirtcliff, E. A.; Granger, D. A.; Schwartz, E.; Curran, M. J. Use of salivary biomarkers in biobehavioral research: cotton-based sample collection methods can interfere with salivary immunoassay results Psychoneuroendocrinology 2001, 26 (2) 165-173
26. Navazesh, M. Methods for collecting saliva Ann. N.Y. Acad. Sci. 1993, 694, 72-77
27. Scherer, G.; Engl, J.; Urban, M.; Gilch, G.; Janket, D.; Riedel, K. Relationship between machine-derived smoke yields and biomarkers in cigarette smokers in Germany Regul. Toxicol. Pharmacol. 2007, 47 (2) 171-183
28. Pluskal, T.; Castillo, S.; Villar-Briones, A.; Oresic, M. MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data BMC Bioinf. 2010, 11, 395-405
29. Durbin, B. P.; Hardin, J. S.; Hawkins, D. M.; Rocke, D. M. A variance-stabilizing transformation for gene-expression microarray data Bioinformatics 2002, 18 (Suppl 1) 105-110
30. Xia, J.; Mandal, R.; Sinelnikov, I. V.; Broadhurst, D.; Wishart, D. S. MetaboAnalyst 2.0-a comprehensive server for metabolomic data analysis Nucleic Acids Res. 2012, 40 (Web Server issue) 127-133
31. Pears, M. R.; Cooper, J. D.; Mitchison, H. M.; Mortishire-Smith, R. J.; Pearce, D. A.; Griffin, J. L. High resolution 1H NMR-based metabolomics indicates a neurotransmitter cycling deficit in cerebral tissue from a mouse model of Batten disease J. Biol. Chem. 2005, 280 (52) 42508-14
32. Hummel, J.; Strehmel, N.; Selbig, J.; Walther, D.; Kopka, J. Decision tree supported substructure prediction of metabolites from GC-MS profiles Metabolomics 2010, 6 (2) 322-333
33. Stein, S. E. An integrated method for spectrum extraction and compound identification from gas chromatography/mass spectrometry data J. Am. Soc. Mass Spectrom. 1999, 10 (8) 770-781
34. Halket, J. M.; Przyborowska, A.; Stein, S. E.; Mallard, W. G.; Down, S.; Chalmers, R. A. Deconvolution gas chromatography/mass spectrometry of urinary organic acids-potential for pattern recognition and automated identification of metabolic disorders Rapid Commun. Mass Spectrom. 1999, 13 (4) 279-284
35. McCabe-Sellers, B. J.; Staggs, C. G.; Bogle, M. L. Tyramine in foods and monoamine oxidase inhibitor drugs: A crossroad where medicine, nutrition, pharmacy, and food industry converge J. Food Compos. Anal. 2006, 19 (Supplement) 58-65
36. David, J. C.; Dairman, W.; Udenfriend, S. Decarboxylation to tyramine: a major route of tyrosine metabolism in mammals Proc. Natl. Acad. Sci. U.S.A. 1974, 71 (5) 1771-5
37. Mohsenin, A.; Blackburn, M. R. Adenosine signaling in asthma and chronic obstructive pulmonary disease Curr. Opin. Pulm. Med. 2006, 12 (1) 54-59
38. Hasko, G.; Linden, J.; Cronstein, B.; Pacher, P. Adenosine receptors: therapeutic aspects for inflammatory and immune diseases Nat. Rev. Drug Discovery 2008, 7 (9) 759-770
39. Agarwal, A. R.; Zhao, L.; Sancheti, H.; Sundar, I. K.; Rahman, I.; Cadenas, E. Short-term cigarette smoke exposure induces reversible changes in energy metabolism and cellular redox status independent of inflammatory responses in mouse lungs Am. J. Physiol.: Lung Cell. Mol. Physiol. 2012, 303 (10) L889-98
40. Kelsen, S. G.; Duan, X.; Ji, R.; Perez, O.; Liu, C.; Merali, S. Cigarette smoke induces an unfolded protein response in the human lung: a proteomic approach Am. J. Respir. Cell Mol. Biol. 2008, 38 (5) 541-50
41. Hellerstein, M. K.; Benowitz, N. L.; Neese, R. A.; Schwartz, J. M.; Hoh, R.; Jacob, P., 3rd; Hsieh, J.; Faix, D. Effects of cigarette smoking and its cessation on lipid metabolism and energy expenditure in heavy smokers J. Clin. Invest. 1994, 93 (1) 265-72
42. Nagaraj, N. S.; Beckers, S.; Mensah, J. K.; Waigel, S.; Vigneswaran, N.; Zacharias, W. Cigarette smoke condensate induces cytochromes P450 and aldo-keto reductases in oral cancer cells Toxicol. Lett. 2006, 165 (2) 182-94
43. Branchek, T. A.; Blackburn, T. P. Trace amine receptors as targets for novel therapeutics: legend, myth and fact Curr. Opin. Pharmacol. 2003, 3 (1) 90-7
44. Schmeltz, I.; Hoffmann, D. Nitrogen-containing compounds in tobacco and tobacco smoke Chem. Rev. 1977, 77 (3) 295-311
45. VanDenBerg, C. M.; Blob, L. F.; Kemper, E. M.; Azzaro, A. J. Tyramine Pharmacokinetics and Reduced Bioavailability with Food J. Clin. Pharmacol. 2003, 43 (6) 604-609
46. Fowler, J. S.; Volkow, N. D.; Wang, G. J.; Pappas, N.; Logan, J.; MacGregor, R.; Alexoff, D.; Shea, C.; Schlyer, D.; Wolf, A. P.; Warner, D.; Zezulkova, I.; Cilento, R. Inhibition of monoamine oxidase B in the brains of smokers Nature 1996, 379 (6567) 733-736
47. Fowler, J. S.; Volkow, N. D.; Wang, G. J.; Pappas, N.; Logan, J.; Shea, C.; Alexoff, D.; MacGregor, R. R.; Schlyer, D. J.; Zezulkova, I.; Wolf, A. P. Brain monoamine oxidase A inhibition in cigarette smokers Proc. Natl. Acad. Sci. U.S.A. 1996, 93 (24) 14065-14069
48. Strolin Benedetti, M.; Tipton, K. F.; Whomsley, R. Amine oxidases and monooxygenases in the in vivo metabolism of xenobiotic amines in humans: has the involvement of amine oxidases been neglected? Fundam. Clin. Pharmacol. 2007, 21 (5) 467-479
49. Herbert, A. A.; Kidd, E. J.; Broadley, K. J. Dietary trace amine-dependent vasoconstriction in porcine coronary artery Br. J. Pharmacol. 2008, 155 (4) 525-534
50. Fehler, M.; Broadley, K.; Ford, W.; Kidd, E. Identification of trace-amine-associated receptors (TAAR) in the rat aorta and their role in vasoconstriction by β-phenylethylamine Naunyn-Schmiedeberg's Arch. Pharmacol. 2010, 382 (4) 385-398
51. Virdis, A.; Giannarelli, C.; Neves, M. F.; Taddei, S.; Ghiadoni, L. Cigarette smoking and hypertension Curr. Pharm. Des. 2010, 16 (23) 2518-2525
52. Benowitz, N. L. Cotinine as a biomarker of environmental tobacco smoke exposure Epidemiol. Rev. 1996, 18 (2) 188-204
53. Mullangi, R.; Agrawal, S.; Srinivas, N. R. Measurement of xenobiotics in saliva: is saliva an attractive alternative matrix? Case studies and analytical perspectives Biomed. Chromatogr. 2009, 23 (1) 3-25
54. Haeckel, R. Factors influencing the saliva/plasma ratio of drugs Ann. N.Y. Acad. Sci. 1993, 694, 128-142
55. Schipper, R. G.; Silletti, E.; Vingerhoeds, M. H. Saliva as research material: biochemical, physicochemical and practical aspects Arch. Oral Biol. 2007, 52 (12) 1114-1135
56. Aas, J. A.; Paster, B. J.; Stokes, L. N.; Olsen, I.; Dewhirst, F. E. Defining the normal bacterial flora of the oral cavity J. Clin. Microbiol. 2005, 43 (11) 5721-32
57. Soysa, N. S.; Ellepola, A. N. B. The impact of cigarette/tobacco smoking on oral candidosis: an overview Oral Dis. 2005, 11 (5) 268-273