Welcome to the website of the Chemometrics & Advanced Separations Team (CAST) of Bob Pirok and Saer Samanipour, with researchers from the University of Amsterdam and VU University Amsterdam. The team comprises enthusiastic researchers from both universities who devote a bit of their time to developing guides and tools for use by the community. Here, you will be able to find useful, information, software and tools for use in mass spectrometry and (multi-dimensional) chromatography.
CAST member Rick van den Hurk developed an analytical method to simultaneously characterize smokeless powders on their molecular weight distribution and additive profile. The data generated from this 2D-LC method yields high evidential value for explosives analysis and enables forensic differentiation with high discriminating power.
CAST member Leon Niezen developed a method termed recycling liquid chromatography for the analysis of the chemical composition distribution (CCD) of polymers.
The Dutch Research Council has awarded Bob Pirok a 280k€ VENI grant entitled Unleashing the Potential of Separation Technology to Achieve Innovation in Research and Society (UPSTAIRS).
Leon Niezen developed a tool that allows users to generate realistic chromatograms for the evaluation of background removal algorithms. It can also be used to remove background from real data.
Wouter Knol has expanded the earlier developed methodology to determine the polymer sequence and applied this to the analysis of acrylates. His new method also for the first time allowed the sequence analysis of ternary copolymers.
Wouter Knol developed a method to determine the sequence of co-polymers using SEC coupled to Pyrolysis GC.
You can download some of our developed software and tools here. The overview is not exhaustive. We have only recently begun with making our work accessible. Currently a manual only exists for the FILTER tool. More apps, manuals and information repositories will be added through September and October.
Visit the special page on the public-privately funded PARADISE project. The project aims to resolve pressing matters in industry and society using 2D-LC. The project is funded by a consortium of Covestro, DSM, Genentech, NFI, Shell and the Dutch Research Council (NWO).
We maintain a searchable database containing all 2D-LC methods published since the 1978 paper by Erni and Frei. The database, which contains over 550 methods, is part of a collaboration between the University of Amsterdam (Pirok) and Gustavus Adolphus College (Stoll).
CAST members Bram van de Put and Stef Molenaar developed an algorithm to automate the feature mining for polymer analysis data generated using LC×LC-MS methods. The algorithm was based on mass remainder analysis.
Dr. Bob Pirok, Prof. Govert Somsen and Prof. Peter Schoenmakers of the Centre for Analytical Sciences Amsterdam are featured in the 2021 edition of the ‘Power List’ compiled by the magazine The Analytical Scientist.
The chromatographic community has for long pondered the promise of machine learning. CAST member Jim Boelrijk simulated the feasibility of Bayesian Optimization for automating method development in comprehensive 2D-LC.