|Ethnopharmacological Evaluation of Radal (leaves of Lomatia hirsuta) through Metabolite Profiling and Isolation of 2-Methoxyjuglone.|
Henrik Toft Simonsena, Louise Berthelsenb, Anne Adsersenb, Søren Brøgger Christensenb, Alfonso Guzmánb and Per Mølgaardb
To evaluate the efficacy of the traditionally used herbal remedy Radal a metabolite profile of the original plant material was established. The EtOAc extract of the leaves and found to be active against the pathogenic fungus Candida albicans (MIC = 8 µg/ml). Cinnamic acid (2) and vanillic acid (5) were identified as the major constituents in the tea by GC-MS along with other phenolic derivatives.
|The Comparison of Lipid Extraction Methods for the Lipidomic Analysis of Human Blood Plasma|
Ali Awwad, Catharine Ortori, Dave A. Barrett and Clare A. Daykin
Although metabolomics is and should remain an integrated approach by itself, its complexity requires analogous approaches focused on its components, such as lipidomics. Lipid profiling by NMR without sample extraction, should be seen as only the first stage in lipidomic analysis. Subsequent analysis should involve extraction of the lipids from the biofluid or tissue prior to further profiling using a multi-technique metabolomic approach involving both NMR and MS.
|Profiling of Urinary Metabolites|
Vladimir V. Tolstikov, Tobias Kind, Kindra D. Brooks and Robert H. Weiss
Urine samples from healthy individuals and kidney cancer patients were used for metabolic profiling method development and for urine metabolome analysis.
|Biomarker Identification Combining Multivariate Analysis of NMR Spectra with an Innovative Spectral Data Analysis Approach in an Integrated Working Environment |
Regis Grenier, Yann Bidault, Chen Peng, Gregory M. Banik, Scott Ramos, Brian Rohrback, Tao Wang and Bin Xia,
A recently developed Metabolomics informatics solution from raw data processing to metabolite database searching, compatible with multiple instruments, has been successfully applied to the analysis of 1H NMR human serum spectra of diabetic and non-diabetic subjects. This study also highlights Overlap Density Heatmap, a novel technology that complements the use of chemometrics in biomarker identification.
|Constructing Directed Metabolic Networks from Microarray Data|
J. M. Easton, T. N. Arvanitis, A. Peet and M. Viant
Although it has been several years since metabolic networks became a commonly used analysis technique in bioinformatics, the question of how best to construct them from experimental data is still not satisfactorily resolved. Here we present a method for the construction of directed metabolic networks from microarray datasets using an enhanced version of the KEGG LIGAND database.
|Application of 1H NMR Metabolomics to a Murine Model of Inflammatory Arthritis|
Reza Dowlatabadi, B. Joan Miller, Frank R. Jirik, Hans J. Vogel and Aalim M. Weljie
The novel quantitative technique of "Targeted Profiling" of 1H 1D NMR data is applied to a unique model of rheumatoid arthritis. A number of candidate biomarkers not previously identified using NMR techniques are identified related to inflammation and immune response. The pharmaceutical relevance of several of these metabolites is discussed.
|Herbal Metabolic Profiling of Raw and Steamed Panax notoginseng|
Eric C.Y. Chan, Swee-Lee Yap, Aik-Jiang Lau, Pay-Chin Leow, Ding-Fung Toh, and Hwee-Ling Koh
At present, metabolite profiling is of growing importance in herbal medicine fields such as breeding, formulation, quality control and clinical trials. Herbal metabolic profiling allows direct detection of down-stream derivatives of metabolites, arising from herbal formulation process, using metabolite profiling ultra performance liquid chromatography time-of-flight mass spectrometry.
|Metabolic Profiling of Human Blood Plasma by Combined Ultra Performance Liquid Chromatography / Mass Spectrometry|
Steve Bruce, Pär Jonsson, Henrik Antti, Olivier Cloarec, Stefan Marklund and Thomas Moritz
Metabolic profiling is concerned with the analysis of low molecular weight compounds present in complex samples such as plasma. Analytical techniques such as UPLC/MS are proving to be powerful tools for metabolic profiling on complex samples such as plasma. Here we describe a protocol of metabolic profiling analysis on plasma by UPLC/MS.
|Toward Diagnosis of Diabetes by NMR and Mulitvariate Analysis: Study of 1H NMR Spectra of Human Serum in an Integrated Working Environment|
Chen Peng, Omoshile Clement, Gregory Banik, Scott Ramos, Tao Wang, and Bin Xia
In order to improve the efficiency of NMR-based metabolomics studies, we have developed KnowItAll® Informatics System, Metabolomics Edition as a consistent and integrated software environment that covers the entire process from processing raw NMR data —to multivariate analysis—to biomarker identification. Using two datasets of 1H NMR spectra of mouse urine and human serum, we demonstrate the high efficiency of this integrated workflow for metabolomics data analysis.