Journal ArticleDOI
Experimental design and optimization
Torbjörn Lundstedt,Elisabeth Seifert,Lisbeth Abramo,Bernt Thelin,Åsa Nyström,Jarle Pettersen,Rolf Bergman +6 more
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In this article, a tutorial is given to give a simple and easily understandable introduction to experimental design and optimization and the screening methods described in the paper are factorial and fractional factorial designs and identification of significant variables are performed by normal distribution plots as well as by confidence intervals.About:
This article is published in Chemometrics and Intelligent Laboratory Systems.The article was published on 1998-08-24. It has received 1079 citations till now. The article focuses on the topics: Fractional factorial design & Factorial experiment.read more
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Chemometrics in Metabonomics
TL;DR: An overview of how the underlying philosophy of chemometrics is integrated throughout metabonomic studies is provided, including the tools applied for linear modeling, for example, Statistical Experimental Design (SED), Principal Component Analysis (PCA), Partial least-squares (PLS), Orthogonal-PLS, and dynamic extensions thereof.
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Visualization of GC/TOF-MS-based metabolomics data for identification of biochemically interesting compounds using OPLS class models.
Susanne Wiklund,Erik Johansson,Lina Sjöström,Ewa J. Mellerowicz,Ulf Edlund,John P. Shockcor,Johan Gottfries,Thomas Moritz,Johan Trygg +8 more
TL;DR: The S-plot is proposed as a tool for visualization and interpretation of multivariate classification models, e.g., OPLS discriminate analysis, having two or more classes, and an improved visualization and discrimination of interesting metabolites could be demonstrated.
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Multivariate data analysis in pharmaceutics: a tutorial review.
Tarja Rajalahti,Olav M. Kvalheim +1 more
TL;DR: An overview of latent variable methods used in pharmaceutics and integrated with advanced characterization techniques such as vibrational spectroscopy is provided.
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Design of experiments: an efficient strategy to identify factors influencing extraction and derivatization of Arabidopsis thaliana samples in metabolomic studies with gas chromatography/mass spectrometry.
TL;DR: The results show that this approach allows a reliable protocol for metabolomic analysis of Arabidopsis to be determined with a relatively limited number of experiments, and it was shown that both hydrophilic and lipophilic compounds were detected with high reproducibility.
Journal ArticleDOI
Probiotic modulation of symbiotic gut microbial–host metabolic interactions in a humanized microbiome mouse model
François-Pierre Martin,François-Pierre Martin,Yulan Wang,Norbert Sprenger,Ivan K. S. Yap,Torbjörn Lundstedt,Per Lek,Serge Rezzi,Ziad Ramadan,Peter J. van Bladeren,Laurent B. Fay,Sunil Kochhar,John C. Lindon,Elaine Holmes,Jeremy K. Nicholson +14 more
TL;DR: The integrated system investigations demonstrate the potential of metabolic profiling as a top‐down systems biology driver for investigating the mechanistic basis of probiotic action and the therapeutic surveillance of the gut microbial activity related to dietary supplementation of probiotics.
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