title: Metabonomic characteristics and biomarker research of human lung cancer tissues by HR1H NMR spectroscopy.
abstract: BACKGROUND
  The combination of NMR spectroscopy and multivariate data analysis (MVDA), such as orthogonal partial least squares-discriminant analysis (OPLS-DA), has been collectively acknowledged as an excellent tool to investigate tissue metabolism and provide metabolite information for the diagnosis of disease, and become an important metabonomic platform for studies in biological tissues so far.
  
  
  METHODS
  Both ex vivo high resolution magic-angle spinning1H NMR and in vitro1H NMR spectroscopy technique were synchronously employed to analyze the metabonomic characteristics of 102 lung tissues from 34 patients with lung cancer in hope to identify potential diagnostic biomarkers for malignancy detection in lung tissues.
  
  
  RESULTS
  Significant elevations in the levels of lipids and lactate and significant reductions in the levels of myo-inositol and valine in the cancer tissues had been identified when compared with the adjacent non-involved tissues. Furthermore, the OPLSDA models calculated by two1H NMR spectra provided for relatively high sensitivity, specificity and good prediction accuracy in the identification of class membership regardless of the number of metabolites involved.
  
  
  CONCLUSIONS
  MVDA in combination with1H NMR spectra highlighted the potential of metabonomics in clinical settings so that the techniques might be further exploited for future lung cancer biomarker research or identification.
authors.affiliation: Department of Chemistry, Fudan University, Shanghai, China.|Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan, Hubei, China.
authors.forename: Wenxue
authors.initials: W
authors.lastname: Chen
authors.affiliation: Department of Pathology, Zhongshan Hospital, Fudan University, Shanghai, China.
authors.forename: Shaohua
authors.initials: S
authors.lastname: Lu
authors.affiliation: Department of Respiratory Medicine, Zhongshan Hospital, Fudan University, Shanghai, China.
authors.forename: Jiaxian
authors.initials: J
authors.lastname: Ou
authors.affiliation: Department of Respiratory Medicine, Zhongshan Hospital, Fudan University, Shanghai, China.
authors.forename: Guifang
authors.initials: G
authors.lastname: Wang
authors.affiliation: Department of Thoracic Surgery, Tongji hospital, Huazhong University of Science and Technology, Wuhan, Hubei, China.
authors.forename: Yukun
authors.initials: Y
authors.lastname: Zu
authors.affiliation: Department of Chemistry, Fudan University, Shanghai, China.
authors.forename: Fener
authors.initials: F
authors.lastname: Chen
authors.affiliation: Department of Respiratory Medicine, Zhongshan Hospital, Fudan University, Shanghai, China.
authors.forename: Chunxue
authors.initials: C
authors.lastname: Bai
mesh_terms: D000328:Adult; D000368:Aged; D015415:Biomarkers; D016022:Case-Control Studies; D005260:Female; D006801:Humans; D008175:Lung Neoplasms / Q000378:metabolism* / Q000473:pathology; D009682:Magnetic Resonance Spectroscopy; D008297:Male; D055442:Metabolome; D055432:Metabolomics / Q000379:methods; D008875:Middle Aged; D009367:Neoplasm Staging; D012372:ROC Curve
chemical_list: D015415:Biomarkers
keywords: Lung cancer; NMR spectroscopy; diagnosis; metabonomics; multivariate data analysis (MVDA)