Skip to Content
Merck
  • Gas chromatography time-of-flight mass spectrometry (GC-TOF-MS)-based metabolomics for comparison of caffeinated and decaffeinated coffee and its implications for Alzheimer's disease.

Gas chromatography time-of-flight mass spectrometry (GC-TOF-MS)-based metabolomics for comparison of caffeinated and decaffeinated coffee and its implications for Alzheimer's disease.

PloS one (2014-08-08)
Kai Lun Chang, Paul C Ho
ABSTRACT

Findings from epidemiology, preclinical and clinical studies indicate that consumption of coffee could have beneficial effects against dementia and Alzheimer's disease (AD). The benefits appear to come from caffeinated coffee, but not decaffeinated coffee or pure caffeine itself. Therefore, the objective of this study was to use metabolomics approach to delineate the discriminant metabolites between caffeinated and decaffeinated coffee, which could have contributed to the observed therapeutic benefits. Gas chromatography time-of-flight mass spectrometry (GC-TOF-MS)-based metabolomics approach was employed to characterize the metabolic differences between caffeinated and decaffeinated coffee. Orthogonal partial least squares discriminant analysis (OPLS-DA) showed distinct separation between the two types of coffee (cumulative Q(2) = 0.998). A total of 69 discriminant metabolites were identified based on the OPLS-DA model, with 37 and 32 metabolites detected to be higher in caffeinated and decaffeinated coffee, respectively. These metabolites include several benzoate and cinnamate-derived phenolic compounds, organic acids, sugar, fatty acids, and amino acids. Our study successfully established GC-TOF-MS based metabolomics approach as a highly robust tool in discriminant analysis between caffeinated and decaffeinated coffee samples. Discriminant metabolites identified in this study are biologically relevant and provide valuable insights into therapeutic research of coffee against AD. Our data also hint at possible involvement of gut microbial metabolism to enhance therapeutic potential of coffee components, which represents an interesting area for future research.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Chlorotrimethylsilane, purified by redistillation, ≥99%
Sigma-Aldrich
Chlorotrimethylsilane, puriss., ≥99.0% (GC)
Sigma-Aldrich
Chlorotrimethylsilane, produced by Wacker Chemie AG, Burghausen, Germany, ≥99.0% (GC)
Sigma-Aldrich
Chlorotrimethylsilane, ≥98.0% (GC)
Sigma-Aldrich
Methoxamine hydrochloride
Supelco
N-Methyl-bis(trifluoroacetamide), for GC derivatization, LiChropur, ≥97.0% (GC)
Supelco
N-Methyl-bis(trifluoroacetamide), for GC derivatization, LiChropur, ≥99.0% (GC)
Supelco
Chlorotrimethylsilane, for GC derivatization, LiChropur, ≥99.0% (GC)
Supelco
N-Methyl-N-(trimethylsilyl)trifluoroacetamide, synthesis grade
Sigma-Aldrich
Pyridine, anhydrous, 99.8%
Sigma-Aldrich
Acetic anhydride, ReagentPlus®, ≥99%
Sigma-Aldrich
Acetic anhydride, ACS reagent, ≥98.0%
Supelco
N-Methyl-N-(trimethylsilyl)trifluoroacetamide, for GC derivatization, LiChropur, ≥98.5%
Supelco
Acetic anhydride, for GC derivatization, LiChropur, ≥99.0%
Supelco
Pyridine, analytical standard
Sigma-Aldrich
Chlorotrimethylsilane solution, 1.0 M in THF
Sigma-Aldrich
Acetic anhydride, 99.5%
Supelco
N-Methyl-N-(trimethylsilyl)trifluoroacetamide, BioReagent, for silylations, LiChropur
Supelco
N-Methyl-N-(trimethylsilyl)trifluoroacetamide with 1% trimethylchlorosilane, for GC derivatization, LiChropur
Sigma-Aldrich
Acetic anhydride, JIS special grade
Sigma-Aldrich
Pyridine, JIS special grade, ≥99.5%
Sigma-Aldrich
Pyridine, suitable for hydroxyl value determination, ≥99.5%
Sigma-Aldrich
Acetic anhydride, Arxada quality, ≥99.5% (GC)
Sigma-Aldrich
Pyridine, ≥99%
Sigma-Aldrich
Pyridine, suitable for HPLC, ≥99.9%
Sigma-Aldrich
Acetic anhydride
Supelco
Pyridine, Pharmaceutical Secondary Standard; Certified Reference Material
Sigma-Aldrich
Pyridine, ReagentPlus®, ≥99%
Sigma-Aldrich
Pyridine, ACS reagent, ≥99.0%
Sigma-Aldrich
Acetic anhydride, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., ≥99% (GC)