PMID- 21461033
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20211020
IS  - 1573-3882 (Print)
IS  - 1573-3890 (Electronic)
IS  - 1573-3882 (Linking)
VI  - 7
IP  - 1
DP  - 2011 Mar
TI  - Semi-automated non-target processing in GC x GC-MS metabolomics analysis: 
      applicability for biomedical studies.
PG  - 1-14
AB  - Due to the complexity of typical metabolomics samples and the many steps required 
      to obtain quantitative data in GC x GC-MS consisting of deconvolution, peak 
      picking, peak merging, and integration, the unbiased non-target quantification of 
      GC x GC-MS data still poses a major challenge in metabolomics analysis. The 
      feasibility of using commercially available software for non-target processing of 
      GC x GC-MS data was assessed. For this purpose a set of mouse liver samples (24 
      study samples and five quality control (QC) samples prepared from the study 
      samples) were measured with GC x GC-MS and GC-MS to study the development and 
      progression of insulin resistance, a primary characteristic of diabetes type 2. A 
      total of 170 and 691 peaks were quantified in, respectively, the GC-MS and 
      GC x GC-MS data for all study and QC samples. The quantitative results for the QC 
      samples were compared to assess the quality of semi-automated GC x GC-MS 
      processing compared to targeted GC-MS processing which involved time-consuming 
      manual correction of all wrongly integrated metabolites and was considered as 
      golden standard. The relative standard deviations (RSDs) obtained with GC x GC-MS 
      were somewhat higher than with GC-MS, due to less accurate processing. Still, the 
      biological information in the study samples was preserved and the added value of 
      GC x GC-MS was demonstrated; many additional candidate biomarkers were found with 
      GC x GC-MS compared to GC-MS. ELECTRONIC SUPPLEMENTARY MATERIAL: The online 
      version of this article (doi:10.1007/s11306-010-0219-6) contains supplementary 
      material, which is available to authorized users.
FAU - Koek, Maud M
AU  - Koek MM
FAU - van der Kloet, Frans M
AU  - van der Kloet FM
FAU - Kleemann, Robert
AU  - Kleemann R
FAU - Kooistra, Teake
AU  - Kooistra T
FAU - Verheij, Elwin R
AU  - Verheij ER
FAU - Hankemeier, Thomas
AU  - Hankemeier T
LA  - eng
PT  - Journal Article
DEP - 20100715
PL  - United States
TA  - Metabolomics
JT  - Metabolomics : Official journal of the Metabolomic Society
JID - 101274889
PMC - PMC3040320
EDAT- 2011/04/05 06:00
MHDA- 2011/04/05 06:01
PMCR- 2010/07/15
CRDT- 2011/04/05 06:00
PHST- 2010/02/14 00:00 [received]
PHST- 2010/05/25 00:00 [accepted]
PHST- 2011/04/05 06:00 [entrez]
PHST- 2011/04/05 06:00 [pubmed]
PHST- 2011/04/05 06:01 [medline]
PHST- 2010/07/15 00:00 [pmc-release]
AID - 219 [pii]
AID - 10.1007/s11306-010-0219-6 [doi]
PST - ppublish
SO  - Metabolomics. 2011 Mar;7(1):1-14. doi: 10.1007/s11306-010-0219-6. Epub 2010 Jul 
      15.