PMID- 25098597
OWN - NLM
STAT- MEDLINE
DCOM- 20151130
LR  - 20211021
IS  - 1932-6203 (Electronic)
IS  - 1932-6203 (Linking)
VI  - 9
IP  - 8
DP  - 2014
TI  - 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.
PG  - e104621
LID - 10.1371/journal.pone.0104621 [doi]
LID - e104621
AB  - 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.
FAU - Chang, Kai Lun
AU  - Chang KL
AD  - Department of Pharmacy, Faculty of Science, National University of Singapore, 
      Singapore, Singapore.
FAU - Ho, Paul C
AU  - Ho PC
AD  - Department of Pharmacy, Faculty of Science, National University of Singapore, 
      Singapore, Singapore.
LA  - eng
PT  - Comparative Study
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20140806
PL  - United States
TA  - PLoS One
JT  - PloS one
JID - 101285081
RN  - 0 (Coffee)
SB  - IM
MH  - *Alzheimer Disease
MH  - Coffee/*chemistry
MH  - *Food Analysis
MH  - *Gas Chromatography-Mass Spectrometry
MH  - Humans
MH  - *Metabolomics
PMC - PMC4123969
COIS- Competing Interests: The authors have declared that no competing interests exist.
EDAT- 2014/08/08 06:00
MHDA- 2015/12/15 06:00
PMCR- 2014/08/06
CRDT- 2014/08/08 06:00
PHST- 2014/04/11 00:00 [received]
PHST- 2014/07/14 00:00 [accepted]
PHST- 2014/08/08 06:00 [entrez]
PHST- 2014/08/08 06:00 [pubmed]
PHST- 2015/12/15 06:00 [medline]
PHST- 2014/08/06 00:00 [pmc-release]
AID - PONE-D-14-16282 [pii]
AID - 10.1371/journal.pone.0104621 [doi]
PST - epublish
SO  - PLoS One. 2014 Aug 6;9(8):e104621. doi: 10.1371/journal.pone.0104621. eCollection 
      2014.