Team

The Chemometrics and Advanced Separations Team (CAST) is a small group of enthusiasts within the analytical research groups of the Center for Analytical Sciences Amsterdam (CASA), which is a collaboration between the University of Amsterdam and VU University in Amsterdam. The majority of its members spends a bit of time on the development of advanced separation systems and/or chemometric tools for use in separation sciences. Aside from providing information on the latest research by the team, the website also intends to provide tools for use in (high-resolution) mass spectrometry and (multi-dimensional) liquid chromatography, as well as a useful repository on the application and theory of multi-dimensional liquid chromatography.

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Bob Pirok

Dr. Bob Pirok is assistant professor of Analytical Chemistry at the Van ‘t Hoff Institute for Molecular Sciences (HIMS) at the University of Amsterdam. He is also a visiting research professor at the Gustavus Adolphus College (MN, USA). He obtained his PhD for his dissertation entitled Making Analytically Incompatible Approaches Compatible in 2019 cum laude and prior worked at Shell for two years.

The research of Pirok focuses on the development of multi-dimensional separation technology, particularly specialising in chromatography. In addition, he works on computational method-optimisation strategies and retention modelling.

Saer Samanipour

Saer2

Dr. Saer Samanipour is assistant professor of Analytical Chemistry at Van ‘t Hoff Institute for Molecular Science (HIMS), University of Amsterdam. Additionally, he is an honorary senior fellow at The Queensland Alliance for Environmental Health Sciences (QAEHS) of the University of Queensland, Australia (UQ). Prior, he was a research scientist at the Norwegian Institute for Water Research (NIVA) working on application of non-target screening in environmental sciences. 

Samanipour’s research focuses on the development of information extraction tools for spectrometric detection technology for particularly in the environmental application domain.

PhD Candidates

Tijmen Bos

Tijmen Bos obtained his MSc degree in 2018. Currently, he is conducting his PhD at the VU University in Amsterdam within the framework of the UNMATCHED project. A project which is funded by BASF, DSM, Nouryon and the Dutch Institute for Scientific Research (NWO). While his research mainly focuses on the development of separation techniques for cellulose materials, Bos also spends a bit of his time in developing algorithms to deconvolute gradient-profile distortions within the context of retention modelling. Earlier, Bos performed computational fluid dynamics simulations and explore 3D-printing methods for the production of 3D-LC systems as part of the ERC STAMP project.

PUBLICATIONS

  • T.S. Bos, L.E. Niezen, M.J. den Uijl, S.R.A. Molenaar, S. Lege, P.J. Schoenmakers, G.W. Somsen, B.W.J. Pirok, Reducing the influence of geometry-induced gradient deformation in liquid chromatographic retention modelling, J. Chromatogr. A, 2021, 1635, 461714, DOI: 10.1016/j.chroma.2020.461714.

  • T.S. Bos, W.C. Knol, S.R.A. Molenaar, L.E. Niezen, P.J. Schoenmakers, G.W. Somsen, B.W.J. Pirok, Recent applications of chemometrics in one- and two-dimensional chromatography. J. Sep. Sci. 43(9-10), 2020, 1678-1727, DOI: 10.1002/jssc.202000011

  • T. Adamopoulou, S. Deridder, T.S. Bos, S. Nawada, G. Desmet, P.J. Schoenmakers Optimizing design and employing pemeability differences to achieve flow confinement in devices for spatial multidimensional liquid chromatography, J. Chromatogr. A, 1612, 2020, 460665, DOI: 10.1016/j.chroma.2019.460665
  • H.C. van de Ven, J. Purmova, G. Groeneveld, T.S. Bos, A.F.G. Gargano, Sj. van der Wal, Y. Mengerink, P.J. Schoenmakers, Living with Breakthrough: Two-Dimensional Liquid-Chromatography Separations of a Water-Soluble Synthetically Grafted Bio-Polymer, Separations, 7(3), 2020, 41, DOI:  10.3390/separations7030041

Denice van Herwerden

Denice van Herwerden obtained her MSc degree in 2020 at the University of Amsterdam. For her MSc research project, she developed optimization tools for heart-cut two-dimensional liquid chromatography. She earlier worked on simulating retention in hydrodynamic chromatography (HDC) and the development of immobilized-enzyme based reaction modulators for use in 2D-LC. She currently conducts her PhD in the group of Saer Samanipour and focuses on the development of chemometric methods for the analysis of higher-order data such as LC-MS/MS and LCxLC-MS.

PUBLICATIONS

Rick van den Hurk

Rick van den Hurk obtained his MSc degree in 2020 at the University of Amsterdam. For his graduation, Van den Hurk investigated the use of immobilised-enzyme reactors for on-line degradation of biopolymers within liquid-phase separations. He also studied the characterisation of polyether polyols and ethoxylated surfactants using FT-ICR-MS. Having worked as researcher at Shell, Van den Hurk currently conducts his PhD within the PARADISE project. His research focuses on developing methods for determining the sequence distribution of polymers as well as the analysis and on-line degradation of complex nitrocellulose energetic materials. Van den Hurk enjoys working out, nature and travelling.

PUBLICATIONS

  • B. Wouters, B.W.J. Pirok, D. Soulis, R.C. Garmendia Perticarini, S. Fokker, R.S. van den Hurk, M. Skolimowski, R.A.H. Peters and Peter J. Schoenmakers, On-line Microfluidic Immobilized-Enzyme Reactors: A New Tool for Characterizing Synthetic Polymers, Anal. Chim. Acta., 2019, 1053, 62-69, DOI: 10.1016/j.aca.2018.12.002
  •  R.B. Geerdink, R.S. van den Hurk, O.J. Epema, Chemical oxygen demand: Historical perspectives and future challenges, Anal. Chim. Acta, 961, 2017, 1-11, DOI: 10.1016/j.aca.2017.01.009.

Wouter Knol

Wouter Knol obtained his MSc degree in 2018 at the University of Amsterdam. He conducts his PhD in the UNMATCHED project in Amsterdam and mainly focuses on techniques to determine the sequence distribution of polymers. Earlier, Knol developed methods using SWATH-MS within the context of proteomics. Within CAST, Wouter investigates optimization of the detection technique hyphenated to the separation system.

PUBLICATIONS

  • W.C. Knol, B.W.J. Pirok, R.A.H. Peters, Detection challenges in quantitative polymer analysis by liquid chromatography, J. Sep. Sci, 2020, in print, DOI: 10.1002/jssc.202000768
  • T.S. Bos, W.C. Knol, S.R.A. Molenaar, L.E. Niezen, P.J. Schoenmakers, G.W. Somsen, B.W.J. Pirok, Recent applications of chemometrics in one- and two-dimensional chromatography. J. Sep. Sci. 43(9-10), 2020, 1678-1727, DOI: 10.1002/jssc.202000011

Nino Milani

Nino Milani obtained his MSc degree in 2021 at the University of Amsterdam. He conducts his PhD in the PARADISE project in Amsterdam. For his graduation project, Milani worked on modelling hydrodynamic chromatography combining computational fluid dynamics (CFD) and experimental studies. For his PhD, he currently focuses on developing automated algorithms for the analysis of higher-order datasets with a particular emphasis on GCxGC data. He furthermore investigates optimisation of gas chromatography experiments. Outside the academic world Nino is a Scout and is interested in the art of coffee as home barista.

PUBLICATIONS

  • R.J.B. Peters, G. van Bemmel, N.B.L. Milani, G.C.T. den Hertog, A.K. Undas, M. van der Lee, H. Bouwmeester, Detection of nanoparticles in Dutch surface waters, Science of the Total Environment, 621, 2018, 210-218, DOI: 10.1016/j.scitotenv.2017.11.238.

Stef Molenaar

Stef Molenaar obtained his MSc degree in 2019 at the University of Amsterdam. Stef currently conducts his PhD in Amsterdam and his research is specifically aimed towards the development of MOREPEAKS as part of the UNMATCHED project. For his graduation project, Molenaar worked on retention modelling for multi-segmented gradients and hydrophilic interaction chromatography. In 2018, Molenaar began to specialize in education and he is a certified teacher. Molenaar has also published on peak-tracking algorithms for LC(×LC)-MS data.

PUBLICATIONS

  • S.R.A. Molenaar, T.A. Dahlseid, G.M. Leme, D.R. Stoll, P.J. Schoenmakers, B.W.J. Pirok, Peak-tracking algorithm for use in comprehensive two-dimensional liquid chromatography – Application to monoclonal-antibody peptides, J. Chromatogr. A, 2021, 1639, 461922, DOI: 10.1016/j.chroma.2021.461922

  • T.S. Bos, L.E. Niezen, M.J. den Uijl, S.R.A. Molenaar, S. Lege, P.J. Schoenmakers, G.W. Somsen, B.W.J. Pirok, Reducing the influence of geometry-induced gradient deformation in liquid chromatographic retention modelling, J. Chromatogr. A2021, 1635, 461714, DOI: 10.1016/j.chroma.2020.461714.

  • T.S. Bos, W.C. Knol, S.R.A. Molenaar, L.E. Niezen, P.J. Schoenmakers, G.W. Somsen, B.W.J. Pirok, Recent applications of chemometrics in one- and two-dimensional chromatography. J. Sep. Sci. 43(9-10), 2020, 1678-1727, DOI: 10.1002/jssc.202000011

  • B.W.J. Pirok, S.R.A. Molenaar, L.S. Roca, P.J. Schoenmakers, Peak-tracking algorithm for use in automated interpretive method-development tools in liquid chromatography, Anal. Chem., 2018, 90, 14011-14019, DOI: 10.1021/acs.analchem.8b03929

Leon Niezen

Leon Niezen obtained his MSc degree in 2018 at the University of Amsterdam. He currently works as a PhD candidate in Amsterdam within the UNMATCHED project. Niezen has earlier worked on 3D-printing technology within the context of the development of analytical devices. Now, Leon mainly focuses on the development of retention models for polymer separations. In addition, his work studies the feasibility of effectively determining the critical point for polymer distributions and their use in so-called size-exclusion chromatography (SEC)-based gradients.

  • L.E. Niezen, B.B.P. Staal, C. Lang, B.W.J. Pirok, P.J. Schoenmakers, Thermal modulation to enhance two-dimensional liquid chromatography separations of polymers, J. Chromatogr. A, 2021, 1653, 462429, DOI: 10.1016/j.chroma.2021.462429
  • T.S. Bos, L.E. Niezen, M.J. den Uijl, S.R.A. Molenaar, S. Lege, P.J. Schoenmakers, G.W. Somsen, B.W.J. Pirok, Reducing the influence of geometry-induced gradient deformation in liquid chromatographic retention modelling, J. Chromatogr. A, 2021, 1635, 461714, DOI: 10.1016/j.chroma.2020.461714.
  • T.S. Bos, W.C. Knol, S.R.A. Molenaar, L.E. Niezen, P.J. Schoenmakers, G.W. Somsen, B.W.J. Pirok, Recent applications of chemometrics in one- and two-dimensional chromatography. J. Sep. Sci. 43(9-10), 2020, 1678-1727, DOI: 10.1002/jssc.202000011
  • B. Wouters, I. Dapic, T.S.E. Valkenburg, S. Wouters, L.E. Niezen, S. Eeltink, G.L. Corthals, P.J. Schoenmakers, A cyclic-olefin-copolymer microfluidic immobilized-enzyme reactor for rapid digestion of proteins from dried blood spots, J. Chromatogr. A, 2017, 1491, 36-42, DOI: 10.1016/j.chroma.2017.01.078

Mimi den Uijl

Mimi den Uijl obtained her master’s degree at the University of Amsterdam in 2018. She is now a PhD student in the TooCOLD (Toolbox for studying the Chemistry Of Light-induced Degradation) project at the University of Amsterdam. In this project, Mimi develops light-induced reaction modulators for use in 2D-LC. She has published on the development of analysis methods for cultural-heritage samples using LC×LC and active modulation. She recently was decorated with a best poster award at HPLC2019 (Milan, Italy) and a the third prize in the HPLC-Tube competition. Within CAST, Mimi is currently working on the development of reliable gradient-scanning protocols.

  • M.J. den Uijl, P.J. Schoenmakers, G.K. Schulte, D.R. Stoll, M.R. van Bommel, B.W.J. Pirok, Measuring and using scanning-gradient data for use in method optimization for liquid chromatography, J. Chromatogr. A, 2021, 1636, 461780, DOI: 10.1016/j.chroma.2020.461780
  • M.J. den Uijl,  P.J. Schoenmakers,  B.W.J. Pirok, and  M.R. van Bommel, Recent applications of retention modelling in liquid chromatography, J. Sep. Sci.2020, DOI: 10.1002/jssc.202000905.
  • T.S. Bos, L.E. Niezen, M.J. den Uijl, S.R.A. Molenaar, S. Lege, P.J. Schoenmakers, G.W. Somsen, B.W.J. Pirok, Reducing the influence of geometry-induced gradient deformation in liquid chromatographic retention modelling, J. Chromatogr. A2021, 1635, 461714, DOI: 10.1016/j.chroma.2020.461714.
  • B. W. J. Pirok, M.J. den Uijl, G. Moro, S.V.J. Berbers, C.J.M. Croes, M.R. van Bommel, P.J. Schoenmakers, Characterization of Dye Extracts from Historical Cultural-Heritage Objects using State-of-the-Art Comprehensive Two-Dimensional Liquid Chromatography and Mass Spectrometry with Active Modulation and Optimized Shifting Gradients. Anal. Chem. 2019, 91(4), 3062-3069. DOI: 10.1021/acs.analchem.8b05469.

Joshka Verduin

Joshka Verduin obtained her master’s degree at the University of Amsterdam in 2020. Afterwards she worked at the Dutch National Police laboratory. She is now a PhD student in the PARADISE (Propelling Analysts by Removing Analytical-, Data-, Instrument-, and Sample-related Encumbrances) joint project of the University of Amsterdam and VU University Amsterdam. In this project, Verduin investigates the use of multi-dimensional liquid-phase separations and reaction modulators for the analysis of drug-delivery systems with the aim of improving such systems in medicine. Her personal scientific interests lie mainly in applied chemistry with an emphasis in sustainability, method development and data analysis. Verduin furthermore enjoys karate and studying the Japanese language and culture.

  • R.F. Kranenburg, J. Verduin, R. de Ridder, Y. Weesepoel, M. Alewijn, M. Heerschop, P.H.J. Keizers, A. van Esch, A.C. van Asten., Performance evaluation of handheld Raman spectroscopy for cocaine detection in forensic case samples, Drug. Test. Anal., 2021, 1-14, DOI: 10.1002/dta.2993
  • J. Verduin, M.J. den Uijl, R.J.B. Peters, M.R. van Bommel, Photodegradation Products and their Analysis in Food, J. Food Sci. Nutri., 2020, DOI: 10.24966/FSN-1076/100067
  • A.R. García-Cicourel, B. van de Velde, J. Verduin, H. Janssen, Comprehensive off-line silver phase liquid chromatography × gas chromatography with flame ionization and vacuum ultraviolet detection for the detailed characterization of mineral oil aromatic hydrocarbons, J. Chromatogr. A, 2019, 1607, 460391, DOI: 10.1016/j.chroma.2019.460391
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