title: Statistical approach to understand MALDI-TOFMS matrices: discovery and evaluation of new MALDI matrices.
abstract: A statistical approach is described to better understand the role of the matrix during a MALDI-TOFMS experiment. Potential matrix molecules were selected based on a rational experimental design and subsequently screened in order to investigate whether a certain compound can act as a matrix for synthetic polymers. The tested compounds were selected from a pool of 11 000 molecules based on descriptor calculations and a subsequent D-optimal design selection procedure. This approach selected 59 organic compounds that were then investigated for their ability to act a matrix for synthetic polymers in MALDI-TOFMS experiments. Within this contribution, we focus on the discussion of new MALDI-TOFMS matrixes that were discovered in the course of the screening. At least 10 new matrices were identified, and 5 of these were subsequently tested more closely with a variety of different synthetic polymers of different molecular weights revealing good to excellent performance of these new matrices.
authors.affiliation: Laboratory of Macromolecular Chemistry and Nanoscience, Eindhoven University of Technology and Dutch Polymer Institute (DPI), P.O. Box 513, 5600 MB Eindhoven, The Netherlands.
authors.forename: Michael A R
authors.initials: MA
authors.lastname: Meier
authors.forename: Nico
authors.initials: N
authors.lastname: Adams
authors.forename: Ulrich S
authors.initials: US
authors.lastname: Schubert
mesh_terms: D008970:Molecular Weight; D009930:Organic Chemicals; D011108:Polymers; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / Q000379:methods*; D013223:Statistics as Topic / Q000379:methods*
chemical_list: D009930:Organic Chemicals; D011108:Polymers