Abstract: The rapid, reliable and comprehensive identification and quantitation of a large number
of organic molecules in complex mixtures, such as metabolites in biological systems in the context of metabolomics, will be discussed using multidimensional NMR tools. They include curated databases of known metabolites, multidimensional spectral query for identification and quantitation, and rapid non-uniformly sampled 2D TOCSY collection and spectral reconstruction. Many of these developments are now available for automation and have been integrated into our COLMAR suite of web servers and databases (http://spin.ccic.ohio-state.edu/index.php/colmar).

Physical-chemical properties of metabolites can also be obtained by quantitatively analyzing their interaction propensities with synthetic nanoparticles. Such information, in turn, can be applied to understand and predict interaction profiles of intrinsically disordered proteins (IDPs) with nanoparticle surfaces.