ANYL 290 |
| A screening approach applying a design-of-experiments (DoE) approach in order to understand the role of the MALDI matrix during MALDI experiments will be discussed. Therefore, descriptors for more than 11000 potential matrix molecules were calculated and 60 of these molecules were selected utilizing D-optimal design selection criteria. These 60 potential matrix molecules were first evaluated for their potential to act as a matrix for poly(methyl methacrylate). Therefore, each of these 60 molecules was used as the matrix in a multiple-layer spotting approach as the first layer of the sample thereby applying three different solvents for the matrix crystallization. Each possible sample combination was prepared and measured four times utilizing exactly the same MALDI instrument settings for comparability reasons. This resulted in approximately 700 measured and evaluated MALDI-TOFMS spectra that were subsequently used to derive models that correlate matrix performance to their chemical structure indicating, e.g., that the calculated HOMO/LUMO energies as well as ionization potentials could be related to matrix performance. Therefore, the outcome of this screening approach, the found structure property correlations as well as the discovery of novel MALDI matrices for synthetic polymers and their behavior with different polymers will be discussed in detail. |
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Analytical Approaches: Mass Spectrometry
1:30 PM-4:20 PM, Wednesday, 13 September 2006 Moscone Center -- Room 124, Oral
Division of Analytical Chemistry |