Metabolomic Fingerprinting in Various Body Fluids of a Diet-Controlled Clinical Smoking Cessation Study Using a Validated GC-TOF-MS Metabolomics Platform

J Proteome Res. 2017 Oct 6;16(10):3491-3503. doi: 10.1021/acs.jproteome.7b00128. Epub 2017 Sep 18.


Untargeted GC-TOF-MS analysis proved to be a suitable analytical platform to determine alterations in the metabolic profile. Several metabolic pathways were found to be altered in a first clinical study comparing smokers against nonsmokers. Subsequently, we conducted a clinical diet-controlled study to investigate alterations in the metabolic profile during the course of 3 months of smoking cessation. Sixty male subjects were included in the study, and plasma, saliva, and urine samples were collected during four 24 h stationary visits: at baseline, while still smoking, after 1 week, after 1 month, and after 3 months of cessation. Additionally, subjects were monitored for their compliance by measurements of CO in exhaled breath and salivary cotinine throughout the study. GC-TOF-MS fingerprinting was applied to plasma, saliva, and urine samples derived from 39 compliant subjects. In total, 52 metabolites were found to be significantly altered including 26 in plasma, 20 in saliva, and 12 in urine, respectively. In agreement with a previous study comparing smokers and nonsmokers, the fatty acid and amino acid metabolism showed significant alterations upon 3 months of smoking cessation. Thus these results may indicate a partial recovery of metabolic pathway perturbations, even after a relatively short period of smoking cessation.

Keywords: GC-TOF-MS; compliance; diet-controlled clinical study; metabolic fingerprinting; metabolomics; smoking cessation.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Adult
  • Body Fluids / metabolism*
  • DNA Fingerprinting / methods
  • Diet
  • Gas Chromatography-Mass Spectrometry
  • Humans
  • Male
  • Metabolome / genetics*
  • Metabolomics*
  • Middle Aged
  • Saliva / metabolism
  • Smoking / blood
  • Smoking / genetics*
  • Smoking / pathology
  • Smoking / urine
  • Smoking Cessation