Separation Sciences

Seperation Sciences

Seperation Sciences
Source: Helmholtz Zentrum München

Separation science is our expertise over the last two decades. We initiated in the 1990ies a series of developments around new chromatographic and electrophoretic monolithic materials and developed new concepts in sample preparation with magnetic nanoparticle materials. Our development involved methods in capillary electrophoresis and its coupling to mass spectrometry for organic or metal-species analysis (ESI-MS and ICP-MS).

Currently we are using UHPLC-HRMS/MS for targeted/quantitative and non-targeted/profiling analysis. This includes methods for quantification of selected small molecules of interest (long and short chain fatty acids (SCFA), bile acids, D/L amino acids, lipids, nucleotides, peptides, etc.) and the development of non-targeted standardized methods for the analysis of polar, mid- to non-polar metabolites utilizing HILIC and RP chromatographic separation. Furthermore, we are investigating new 2D-column couplings for increased metabolome coverage. Additional developments include new dopants for enhanced electrospray ionization, QSSR modeling of chromatographic behavior of metabolites in RP and HILIC separations, miniaturization designs of the technologies for minimal sample and the in-silico analysis of MS/MS fragmentation patterns (MetFrag).

    

Selected publications:

Witting, M., Ruttkies, C., Neumann, S., & Schmitt-Kopplin, P. (2017). LipidFrag: Improving reliability of in silico fragmentation of lipids and application to the Caenorhabditis elegans lipidome. PloS one, 12(3), e0172311.

Witting, M., Maier, T. V., Garvis, S., & Schmitt-Kopplin, P. (2014). Optimizing a ultrahigh pressure liquid chromatography-time of flight-mass spectrometry approach using a novel sub-2μm core–shell particle for in depth lipidomic profiling of Caenorhabditis elegans. Journal of Chromatography A, 1359, 91-99.

Thondamal, M., Witting, M., Schmitt-Kopplin, P., & Aguilaniu, H. (2014). Steroid hormone signalling links reproduction to lifespan in dietary-restricted Caenorhabditis elegans. Nature communications, 5, 4879.

Sampsonidis, I., Witting, M., Koch, W., Virgiliou, C., Gika, H. G., Schmitt-Kopplin, P., & Theodoridis, G. A. (2015). Computational analysis and ratiometric comparison approaches aimed to assist column selection in hydrophilic interaction liquid chromatography–tandem mass spectrometry targeted metabolomics. Journal of Chromatography A, 1406, 145-155.

Schmitt-Kopplin, P. (2016). Capillary electrophoresis. Springer Science+ Business Media New York.