Literature DB >> 17269704

Chemometrics in metabonomics.

Johan Trygg1, Elaine Holmes, Torbjörn Lundstedt.   

Abstract

We provide an overview of how the underlying philosophy of chemometrics is integrated throughout metabonomic studies. Four steps are demonstrated: (1) definition of the aim, (2) selection of objects, (3) sample preparation and characterization, and (4) evaluation of the collected data. This includes the tools applied for linear modeling, for example, Statistical Experimental Design (SED), Principal Component Analysis (PCA), Partial least-squares (PLS), Orthogonal-PLS (OPLS), and dynamic extensions thereof. This is illustrated by examples from the literature.

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Year:  2007        PMID： 17269704     DOI： 10.1021/pr060594q

Source DB:  PubMed          Journal:  J Proteome Res        ISSN： 1535-3893            Impact factor:   4.466


  284 in total

1.  Between Metabolite Relationships: an essential aspect of metabolic change.

Authors:  Jeroen J Jansen; Ewa Szymańska; Huub C J Hoefsloot; Doris M Jacobs; Katrin Strassburg; Age K Smilde
Journal:  Metabolomics       Date:  2011-05-24       Impact factor: 4.290

2.  ¹H NMR-based serum metabolic profiling in compensated and decompensated cirrhosis.

Authors:  Su-Wen Qi; Zhi-Guang Tu; Wu-Jian Peng; Lin-Xian Wang; Xin Ou-Yang; An-Ji Cai; Yong Dai
Journal:  World J Gastroenterol       Date:  2012-01-21       Impact factor: 5.742

Review 3.  Clinical metabolomics paves the way towards future healthcare strategies.

Authors:  Sebastiano Collino; François-Pierre J Martin; Serge Rezzi
Journal:  Br J Clin Pharmacol       Date:  2013-03       Impact factor: 4.335

4.  Simultaneous analysis of plasma and CSF by NMR and hierarchical models fusion.

Authors:  Agnieszka Smolinska; Joram M Posma; Lionel Blanchet; Kirsten A M Ampt; Amos Attali; Tinka Tuinstra; Theo Luider; Marek Doskocz; Paul J Michiels; Frederic C Girard; Lutgarde M C Buydens; Sybren S Wijmenga
Journal:  Anal Bioanal Chem       Date:  2012-03-07       Impact factor: 4.142

5.  Global urinary metabolic profiling procedures using gas chromatography-mass spectrometry.

Authors:  Eric Chun Yong Chan; Kishore Kumar Pasikanti; Jeremy K Nicholson
Journal:  Nat Protoc       Date:  2011-09-08       Impact factor: 13.491

Review 6.  Xenobiotic metabolism: a view through the metabolometer.

Authors:  Andrew D Patterson; Frank J Gonzalez; Jeffrey R Idle
Journal:  Chem Res Toxicol       Date:  2010-05-17       Impact factor: 3.739

7.  Introduction of a new critical p value correction method for statistical significance analysis of metabonomics data.

Authors:  Bo Wang; Zhanquan Shi; Georg F Weber; Michael A Kennedy
Journal:  Anal Bioanal Chem       Date:  2013-09-13       Impact factor: 4.142

8.  Fatty acid composition of adipose tissue triglycerides after weight loss and weight maintenance: the DIOGENES study.

Authors:  M Kunešová; P Hlavatý; E Tvrzická; B Staňková; P Kalousková; N Viguerie; T M Larsen; M A van Baak; S A Jebb; J A Martinez; A F H Pfeiffer; A Kafatos; T Handjieva-Darlenska; M Hill; D Langin; A Zák; A Astrup; W H M Saris
Journal:  Physiol Res       Date:  2012-10-25       Impact factor: 1.881

9.  Urinary metabolomic profiling in rats exposed to dietary di(2-ethylhexyl) phthalate (DEHP) using ultra-performance liquid chromatography quadrupole time-of-flight tandem mass spectrometry (UPLC/Q-TOF-MS).

Authors:  Xinwen Dong; Yunbo Zhang; Jin Dong; Yue Zhao; Jipeng Guo; Zhanju Wang; Mingqi Liu; Xiaolin Na; Cheng Wang
Journal:  Environ Sci Pollut Res Int       Date:  2017-05-30       Impact factor: 4.223

10.  BRAFV600E mutation in the pathogenesis of a large series of papillary thyroid carcinoma in Czech Republic.

Authors:  V Sykorova; S Dvorakova; A Ryska; J Vcelak; E Vaclavikova; J Laco; D Kodetova; R Kodet; A Cibula; J Duskova; A Hlobilkova; J Astl; D Vesely; J Betka; J Hoch; S Smutny; J Cap; P Vlcek; Z Novak; B Bendlova
Journal:  J Endocrinol Invest       Date:  2009-12-04       Impact factor: 4.256
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