Interactive Metabolomics by Diffusion NMR: Improving the Odds of Finding Needles in Haystacks
Poster Aug 19, 2009
Metabolomics investigates changes in quantities of metabolites. However, blood plasma is a complex, heterogeneous mixture of components which undergo a variety of possible molecular interactions. In particular, many low molecular weight compounds (including drugs) can exist both ‘free’ in solution, bound to proteins or within organised aggregates of macromolecules. To study the effects of e.g. disease on these interactions we have developed a technique termed ‘interactive metabolomics’.
RAMclust/RAMsearch: efficient post-XCMS feature clustering and annotation of MS-based metabolomics datasetsPoster
Chromatographically coupled mass spectrometry is a powerful tool for profiling, semi-quantitatively or quantitatively, a breadth of small molecules with sensitivity and selectivity.READ MORE
A Novel Benchtop Time-of-Flight GC-MS System for High Performance Analysis of Human UrinePoster
A workflow was developed and implemented for the effective comparison of urine. It involved the preparation of stable compounds through derivatization, data acquisition using a high performance benchtop TOFMS, comprehensive data processing (NonTarget Deconvolution™), and quick retrospective analysis of rich datasets using Target Analyte Finding.
Platform Agnostic Data Processing Routine for Targeted and Untargeted Metabolite Identification in Drug DiscoveryPoster
A discussion of a new informatics solution that addresses common challenges in metabolite identification and characterization--from LC/MS data processing and metabolites prediction to reporting and databasing of assembled biotransformation knowledge.READ MORE