Statistical multivariate metabolite profiling for aiding biomarker pattern detection and mechanistic interpretations in GC/MS based metabolomics

↓ Direkt till sidans innehåll
↓ Direkt till sidans sekundära innehåll (sidomenyn)

Sökning: WFRF:(Jonsson Elin) > Statistical multiva...

LIBRIS Formathandbok (Information om MARC21)

Fältnamn	Indikatorer	Metadata
000		03979naa a2200469 4500
001		oai:DiVA.org:umu-12512
003		SwePub
008		070928s2006 \| \|\|\|\|\|\|\|\|\|\|\|000 \|\|eng\|
024	7	a https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-125122 URI
024	7	a https://doi.org/10.1007/s11306-006-0032-42 DOI
040		a (SwePub)umu
041		a engb eng
042		9 SwePub
072	7	a ref2 swepub-contenttype
072	7	a art2 swepub-publicationtype
100	1	a Chorell, Elinu Umeå universitet,Kemiska institutionen4 aut0 (Swepub:umu)elnpon01
245	1 0	a Statistical multivariate metabolite profiling for aiding biomarker pattern detection and mechanistic interpretations in GC/MS based metabolomics
264		c 2006-11-22
264	1	b Springer Science and Business Media LLC,c 2006
338		a print2 rdacarrier
520		a A strategy for robust and reliable mechanistic statistical modelling of metabolic responses in relation to drug induced toxicity is presented. The suggested approach addresses two cases commonly occurring within metabonomic toxicology studies, namely; 1) A pre-defined hypothesis about the biological mechanism exists and 2) No such hypothesis exists. GC/MS data from a liver toxicity study consisting of rat urine from control rats and rats exposed to a proprietary AstraZeneca compound were resolved by means of hierarchical multivariate curve resolution (H-MCR) generating 287 resolved chromatographic profiles with corresponding mass spectra. Filtering according to significance in relation to drug exposure rendered in 210 compound profiles, which were subjected to further statistical analysis following correction to account for the control variation over time. These dose related metabolite traces were then used as new observations in the subsequent analyses. For case 1, a multivariate approach, named Target Batch Analysis, based on OPLS regression was applied to correlate all metabolite traces to one or more key metabolites involved in the pre-defined hypothesis. For case 2, principal component analysis (PCA) was combined with hierarchical cluster analysis (HCA) to create a robust and interpretable framework for unbiased mechanistic screening. Both the Target Batch Analysis and the unbiased approach were cross-verified using the other method to ensure that the results did match in terms of detected metabolite traces. This was also the case, implying that this is a working concept for clustering of metabolites in relation to their toxicity induced dynamic profiles regardless if there is a pre-existing hypothesis or not. For each of the methods the detected metabolites were subjected to identification by means of data base comparison as well as verification in the raw data. The proposed strategy should be seen as a general approach for facilitating mechanistic modelling and interpretations in metabolomic studies.
653		a Metabolomics
653		a Metabonomics
653		a Metabolite profiling
653		a GC/MS
653		a Curve resolution
653		a Hierarchical multivariate curve resolution
653		a Chemometrics
653		a Multivariate data analysis
653		a Cluster analysis
653		a Correlation networks
653		a Biomarkers
700	1	a Thysell, Elinu Umeå universitet,Kemiska institutionen4 aut0 (Swepub:umu)elnsjn00
700	1	a Lindberg, Johan4 aut
700	1	a Schuppe-Koistinen, Ina4 aut
700	1	a Moritz, Thomas4 aut
700	1	a Jonsson, Päru Umeå universitet,Kemiska institutionen4 aut0 (Swepub:umu)parjon95
700	1	a Antti, Henriku Umeå universitet,Kemiska institutionen4 aut0 (Swepub:umu)hean0004
710	2	a Umeå universitetb Kemiska institutionen4 org
773	0	t Metabolomicsd : Springer Science and Business Media LLCg 2:4, s. 257-68q 2:4<257-68x 1573-3882x 1573-3890
856	4 8	u https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-12512
856	4 8	u https://doi.org/10.1007/s11306-006-0032-4

Hitta via bibliotek

Metabolomics (Sök värdpublikationen i LIBRIS)

Till lärosätets databas

Hitta mer i SwePub

Av författaren/redakt...: Chorell, Elin; Thysell, Elin; Lindberg, Johan; Schuppe-Koistine ...; Moritz, Thomas; Jonsson, Pär; visa fler...; Antti, Henrik; visa färre...

Artiklar i publikationen: Metabolomics

Av lärosätet: Umeå universitet

Sök utanför SwePub

Sök vidare i:: Google; Google Book Search; Google Scholar

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

LIBRIS.kb.se