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Publications

Reprints of papers that are not available as PDF's and publications before 2010 can be requested at our secretary's office.

2021 2020-2017 2016-2014  2013 - 2010

Publications 2022

22/01
Guillén Fernández, Healthy Brain Study consortium
Protocol of the Healthy Brain Study: An accessible resource for understanding the human brain and how it dynamically and individually operates in its bio-social context
PLoS ONE 16(12): e0260952. Online January 2022

22/02
Karen Gah Hie Kong, Bing Shen How, Juin Yau Lim, Wei Dong Leong, Sin Yong Teng, Wendy Pei Qin, Irene Moser, Jaka Sunarso
Shaving electric bills with renewables? A multi-period pinch-based methodology for energy planning
Energy, 239, D, 122320, January 2022

22/03
Marta Sá, N Ferrer-Ledo, F Gao, CG Bertinetto, J Jansen, JG Crespo, RH Wijffels, M Barbosa, CF Galinha
Perspectives of Fluorescence Spectroscopy for Online Monitoring in Microalgae Industry
Microbial Biotechnology 0(0), 1–15, February 2022

22/04
Jan Andries, G. Tinnevelt, Y. vander Heyden
Improved modelling for low-correlated multiple responses by common-subset-of-independent-variables partial-least-squares
Talanta, 239, 123140, March 2022

22/05
Ben Henderson, Joris Meurs, Carlijn R. Lamers, Guilherme Lopes Batista, Dušan Materić, Carlo G. Bertinetto, Coen C.W.G. Bongers, Rupert Holzinger, Frans J.M. Harren, Jeroen J. Jansen, Maria T.E. Hopman, Simona M. Cristescu
Non-invasive monitoring of inflammation in Inflammatory Bowel Disease patients during prolonged exercise via exhaled breath volatile organic compounds
Metabolites, 12(3), 224, March 2022

22/06
Mark schoot; Martin Alewijn; Yannick Weesepoel; Judith Mueller-Maatsch; Christiaan Kapper; Geert Postma; Lutgarde Buydens; Jeroen Jansen
Predicting the performance of handheld near-infrared photonic sensors from a master benchtop device.
Analytica Chimica Acta, 1203, 339707, online March 10, 2022

22/07
Joris Meurs, Evangelia Sakkoula and Simona M. Cristescu
 Real-Time Non-Invasive Monitoring of Short-Chain Fatty Acids in Exhaled Breath
Frontiers in Chemistry, online April 27, 2022

22/08
Carlo G. Bertinetto, Roy Spijkerman, Lillian Hesselink, Gerjen H. Tinnevelt, Coen C.W.G. Bongers, Geert J. Postma, Maria T.E. Hopman, Leo Koenderman, Jeroen J. Jansen.
Comprehensive multivariate evaluation of the effects on cell phenotypes in multicolor flow cytometry data using ANOVA Simultaneous Component Analysis
Journal of Chemometrics, online April 27, 2022

22/09
Jia Ling Ong, Adrian Chun Minh Loy, Sin Yong Teng, and Bing Shen How
Future Paradigm of 3D Printed Ni-Based Metal Organic Framework Catalysts for Dry Methane Reforming: Techno-economic and Environmental Analyses
ACS Omega 7 (18), 15369-15384, april 2022

22/10
Vojtěch Ondruška Bing Shen How, Michal Netolický, VítězslavMáša, Sin Yong Teng
Resource optimisation in aquaponics facility via process monitoring and graph-theoretical approach
Carbon Resources Conversion, online April 2022

22/11
Tim Offermans, Leonardo Galvis, Carlo G. Bertinetto, Andrea Carnoli, Emina Karamujić; Ewa Szymańska, Lutgarde M. C. Buydens, Jeroen J. Jansen
Retrospective Quality by Design r(QbD) for Lactose Production using Historical Process Data and Design of Experiments
Computers in Industry 141, online May 23, 2022

22/12
Mark Schoot
NIR calibration for industrial applications
PhD thesis, May 30, 2022

22/13
Tim Offermans, Lynn Hendriks, Geert H Van Kollenburg, Ewa Szymańska, Lutgarde M C Buydens and Jeroen J Jansen
Improved understanding of industrial process relationships through conditional path modelling with Process PLS
Bookchapter in: Novel Applications of Chemometrics in Analytical Chemistry and Chemical Process Industry. Frontiers Media SA. Biancolillo, A., D’Archivio, A. A., Marini, F., Vitale, R., eds. May 2022.

22/14           
Roelant Hilgers, Sin Yong Teng, Anamarija Briš, Aleksandr Y. Pereverzev, Paul White, Jeroen J. Jansen, Jana Roithová
Monitoring Reaction Intermediates to Predict Enantioselectivity Using Mass Spectrometry
Angewandte Chemie, online May 13, 2022

22/15
Roderik Krebbers, N. Liu, K. E. Jahromi, M. Nematollahi, O. Bang, G. Woyessa, C. R. Petersen, G. van Rooij, F. J. M. Harren, A. Khodabakhsh & S. M. Cristescu
Mid-infrared supercontinuum-based Fourier transform spectroscopy for plasma analysis
Scientific Reports12, 9642, June 2022

22/16
Yangwei Ying; Geert Hein van Kollenburg; André van den Doel; Sanne Brekelmans; Hong Zhou; Gerard Stroomberg; Jeroen Jansen
Evaluating Anthropogenic Origin of Unidentified Volatile Chemicals in the River Rhine
Water, Air, & Soil Pollution, 233:241, online June 21, 2022

22/17
Jeroen Jansen, Ingrid Måge
Report of Path Modelling Workshop, Zaandam, The Netherlands, 25–26 April 2022
Journal of Chemometrics, meeting report, June 25, 2022

22/18
Lip Siang Yeo, Sin Yong Teng, Wendy Pei Qin Ng, Chun Hsion Lim, Wei Dong Leong, Hon Loong Lam, Yat Choy Wong,  Jaka Sunarso, Bing Shen Howa
Sequential optimization of process and supply chains considering re-refineries for oil and gas circularity
Applied Energy, 322, 119485, online June 28, 2022

22/19
Nick Bliziotis, Leo AJ Kluijtmans; Gerjen H Tinnevelt; Parminder Reel; Smarti Reel; Katharina Langton; Mercedes Robledo; Christina Pamporaki; Alessio Pecori; Josie Van Kralingen; Martina Tetti; Udo FH Engelke; Zoran Erlic; Jasper Engel; Timo Deutschbein; Svenja Nölting; Aleksander Prejbisz; Susan Richter; Jerzy Adamski; Andrzej Januszewicz; Filippo Ceccato; Carla Scaroni; Michael C Dennedy; Tracy A Williams; Livia Lenzini; Anne-Paule Gimenez-Roqueplo; Eleanor Davies; Martin Fassnacht; Hanna Remde; Graeme Eisenhofer; Felix Beuschlein; Matthias Kroiss; Emily Jefferson; Maria Christina Zennaro; Ron A Wevers; Jeroen J Jansen; Jaap Deinum; Henri JLM Timmers
Preanalytical Pitfalls in Untargeted Plasma Nuclear Magnetic Resonance Metabolomics of Endocrine Hypertension
Metabolites, 12(8), 679, July 2022

22/20
Karen Gah Hie Kong, Juin Yau Limb, Wei Dong Leong, Wendy Pei Qin Ng, Sin Yong Teng, Jaka Sunarso , Bing Shen How
Fuzzy optimization for P2P multi-period renewable energy trading planning
Journal of Cleaner Production, 133122, online 14 July 2022

22/21
Vladimir Brummer, Sin Yong Teng, David Jecha, Pavel Skryja, Veronica Vavrcikova, Petr Stehlik
Contribution to cleaner production from the point of view of VOC emissions abatement: A review
Journal of Cleaner Production, 361, 132112, August 2022

22/22
Roelant Hilgers, Sin Yong Teng, Anamarija Briš, Aleksandr Y. Pereverzev, Paul White, Jeroen J. Jansen, Jana Roithová
Frontispiece: Monitoring Reaction Intermediates to Predict Enantioselectivity Using Mass Spectrometry
Angewandte Chemie, Int. Ed. 61,e202205720, August 2022

22/23
Jacopo Acquarelli, Twan van Laarhoven, Geert J. Postma, Jeroen Jansen, Anne Rijpma, Sjaak vanAsten, , Arend Heerschap, Lutgarde Buydens Elena Marchiori,
Convolutional neural networks to predict brain tumor grades and Alzheimer’s disease with MR spectroscopic imaging data
PLoS ONE, online August 24, 2022

22/24
Mridula Prasad, Pietro Franceschi, Lutgarde Buydens, Jeroen Jansen, Geert Postma
Evaluation and comparison of unsupervised methods for the extraction of spatial patterns from mass spectrometry imaging data (MSI)
Scientific Reports, 12, 15687, online September 2022

22/25
Carlo G. Bertinetto; Mark Schoot; Martijn Dingemans; Wouter Meeuwsen; Lutgarde M.C. Buydens; Jeroen Jansen
Influence of measurement procedure on the use of handheld NIR spectrophotometers for food analysis
Food Research International, 161, 111836, November 2022

Publications 2021

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21/01
Tim Offermans, Terry-Hale Wijker, , Rita Folcarelli, Rudi Heemskerk, Packo Lamers, Maria Proença, Thanh Tran, Lutgarde Buydens, Jeroen Jansen
ENDBOSS: Industrial endpoint detection using batch-specific control spaces of spectroscopic data
Chemometrics and Intelligent Laboratory Systems, 209, 104229, January 2021

21/02
Roy Spijkerman, Lilian Hesselink, Carlo Bertinetto, Coen Bongers, Falco Hietbrink, Nienke Vrisekoop, Luke Leenen, Maria Hopman, Jeroen Jansen, Leo Koenderman
Refractory neutrophils and monocytes in patients with inflammatory bowel disease after repeated bouts of prolonged exercise
Cytometry: Part B - Clinical Cytometry, 100(6):676-682, March 2021

21/03
Ben Henderson, Guilherme Lopes Batista, Carlo Bertinetto, Joris Meurs, Dusan Materic, Coen C.W.G. Bongers, Neeltje A.E Allard, Thijs Eijsvogels, Rupert Holzinger, Frans J.M. Harren, Jeroen J. Jansen, Maria Hopman, Simona M. Cristescu
Exhaled breath reflects prolonged exercise and statin use during a field campaign
Metabolites 11(4), 192, March 2021

21/04
Roy Spijkerman, Lillian Hesselink, Carlo Bertinetto, Coen Bongers, Falco Hietbrink, Nienke Vrisekoop, Luke PH Leenen, Maria TE Hopman, Jeroen J Jansen, Leo Koenderman.
Analysis of human neutrophil phenotypes as biomarker to monitor exercise‐induced immune changes
Journal of Leukocyte Biology, 109, 4, 833-842, April 2021

21/05
Henk-Jan van Manen, Jan Gerretzen, Martijn Smout, Geert Postma, Jeroen Jansen
Quantitative Vibrational Spectroscopy on Liquid Mixtures: Concentration Units Do Matter
The Analyst, 146, 3150, 2021.

21/06
Tim Offermans, Ewa Szymańska, Geert van Kollenburg, Lutgarde M. C. Buydens, Jeroen J. Jansen
Automatically optimizing dynamic synchronization of individual industrial process variables for statistical modelling
Computers and Chemical Engineering, online June 7 2021, vol. 125, 107402

21/07
Jaanika Kronberg, Jonathan J. Byrne, Jeroen Jansen, Philipp Antczak, Adam Hines, John Bignell, Ioanna Katsiadaki, Mark R. Viant & Francesco Falciani
Modeling the metabolic profile of Mytilus edulis reveals molecular signatures linked to gonadal development, sex and environmental site
Scientific Reports, 11, 12882, online June 2021

21/08
Mark Schoot, Christiaan Kapper, Gijs van Kessel, Geert Postma, Lutgarde MC Buydens, Jeroen Jansen
Cost-benefit analysis of calibration model maintenance strategies for process monitoring
Analytica Chimica Acta, vol 1180, 338890, online July 27

21/09
Gerjen Tinnevelt, Kristiaan Wouters, Geert Postma, Rita Folcarelli, Jeroen Jansen
High-throughput single cell data analysis - A tutorial
Analytica Chimica Acta, online 26 July 2021, 338872

21/10
Geert van Kollenburg, Roel Bouman, Tim Offermans, Jan Gerretzen, Lutgarde M.C. Buydens, Henk-Jan van Manen, Jeroen Jansen
Process PLS: Incorporating substantive knowledge into the predictive modelling of multiblock, multistep, multidimensional and multicollinear process data.
Computers and Chemical Engineering , online 30 July 2021, 107466

21/11
Rita Folcarelli, Selma van Staveren, Gerjen Tinnevelt, Emily Cadot, Nienke Vriesekoop, Lutgarde M.C. Buydens, Leo Koenderman, Jeroen Jansen, Oscar van den Brink
Transformation of Multicolour Flow Cytometry data with OTflow prevents misleading multivariate analysis (MVA) results and incorrect immunological conclusions
Cytometry: Part A, online July 29, 2021

21/12
Tim Offermans, Lynn Hendriks, Geert H Van Kollenburg, Ewa Szymańska, Lutgarde M C Buydens and Jeroen J Jansen
Improved understanding of industrial process relationships through conditional path modelling with Process PLS
Frontiers in Analytical Science, online August 23, 2021

21/13
Tim Offermans
Improved data processing for sustainable industry with chemometrics
PhD Thesis, September 28, 2021

21/14
Nikolaos G. Bliziotis, Leo A. J. Kluijtmans, Sebastian Soto, Gerjen H. Tinnevelt, Katharina Langton, Mercedes Robledo, Christina Pamporaki, Udo F. H. Engelke, Zoran Erlic, Jasper Engel, Timo Deutschbein, Svenja Nölting, Aleksander Prejbisz, Susan Richter, Cornelia Prehn, Jerzy Adamski, Andrzej Januszewicz, Martin Reincke, Martin Fassnacht, Graeme Eisenhofer, Felix Beuschlein, Matthias Kroiss, Ron A. Wevers, Jeroen J. Jansen, Jaap Deinum, Henri J. L. M. Timmers
Pre- versus post-operative untargeted plasma nuclear magnetic resonance spectroscopy metabolomics of pheochromocytoma and paraganglioma
Endocrine, open access, September 2021

21/15
Veronica Mayer, de Hoog S., Cristescu S.M., Vera L., Prenafeta-Boldú F.,
Volatile organic compounds in the Azteca/Cecropia ant-plant symbiosis and the role of black fungi
Journal of Fungi 7: 836, October 2021.

21/16
Meng Lu , Dai R., de Boer C., Schmitz O., Kooter I., Cristescu S.M., Karssenberg D.
External Validation of statistical NO2 modelling using a high-end mobile sensing instrument
Atmospheric Pollution Research 12(11), November 2021

21/17
Jan Andries, G. Tinnevelt, Y. vander Heyden
Improved modelling for low-correlated multiple responses by common-subset-of-independent-variables partial-least-squares
Talanta, 239, 1 March 2022, 123140, online December 2021

Publications 2020

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20/01  
Jonathan Martens, Rianne E. van Outersterp, Rob J. Vreeken, Filip Cuyckens, Karlien L.M. Coene, Udo F. Engelke, Leo A.J. Kluijtmans, Ron A. Wevers, Lutgarde M.C. Buydens, Britta Redlich, Giel Berden, Jos Oomens Infrared ion spectroscopy: new opportunities for small-molecule identification in mass spectrometry - a tutorial perspective
Analytica Chimica Acta1093, 1-15, January 2020

20/02
Hadi Parastar, Geert Hein van Kollenburg, Andre van den Doel, Yannick Weesepoel, Martin Alewijn; Lutgarde Buydens, Jeroen Jansen.
Integration of handheld NIR and machine learning for the development of a “Measure & Monitor” technology for food authenticity
Food Control, 112, 107149. June 2020/online January 2020

20/03
Geert H. van Kollenburg, Hadi Parastar; Yannick Weesepoel; André van den Doel; Lutgarde Buydens; Jeroen Jansen
Dataset of the application of handheld NIR and machine learning for chicken fillet authenticity study
Data in Brief, 29, 105357.  April 2020/online February 2020

20/04
Feven Solomon Desta, MSc; Michael W.N. Buxton, Jeroen Jansen
Data Fusion for the Prediction of Elemental Concentrations in Polymetallic Sulphide Ore using Mid-Wave Infrared and Long-Wave Infrared Reflectance Data
Minerals, 10(3), 235, March 2020

20/05
Feven Solomon Desta, MSc; Michael W.N. Buxton, Jeroen Jansen
Fusion of Mid-Wave Infrared and Long-Wave Infrared Reflectance Spectra for Quantitative Analysis of Minerals 
Sensors, 20(5), 1472. March 2020

20/06
Geert van Kollenburg, Jacoline d van Es, Jan Gerretzen, Heleen Lanters, Roel Bouman, Willem Koelewijn, Antony N Davies, Henk-Jan van Manen, Jeroen J Jansen
Understanding Chemical Production Processes by using PLS Path Model Parameters as Soft Sensors
Computers and Chemical Engineering, 139, 106841, August 2020/online May, 2020

20/07
Marta de Sá, Carlo Bertinetto, Narcís Ferrer Ledo, Jeroen Jansen, Rene Wijffels, Joao Crespo, Maria Barbosa, Claudia Galinha
Fluorescence spectroscopy and chemometrics for simultaneous monitoring of cell concentration, chlorophyll and fatty acids in Nannochloropsis oceanica  
Scientific Reports, 10, 7688, May 2020

20/08
Tim Offermans, Ewa Szymanska, Lutgarde Buydens, Jeroen Jansen
Synchronizing Process Variables in Time for Industrial Process Monitoring and Control
Computers and Chemical Engineering, 140, 106938, May 2020

20/09
Xihui Bian, Zhankui Lu, Geert Hein van Kollenburg
Ultraviolet-visible diffuse reflectance spectroscopy combined with chemometrics for rapid discrimination Angelicae Sinensis Radix from its four similarities
Analytical Methods, 12, 3499-3507, June 2020

20/10
Rita Folcarelli, Gerjen H. Tinnevelt, Bart Hilvering, Kristiaan Wouters, Selma van Staveren, Geert J. Postma, Nienke Vrisekoop, Lutgarde M. C. Buydens, Leo Koenderman & Jeroen J. Jansen
Multi-set Pre-processing of Multicolor Flow Cytometry Data
Scientific Reports 19, 9716,  June 2020

20/11
Tinnevelt, G. H., Jansen, J. J.
Chemometrics in Flow Cytometry
In Comprehensive Chemometrics: Chemical and Biochemical Data Analysis; Brown, S., Tauler, R., Walczak, B., Eds., Elsevier, 2020; pp 585–597.

20/12
Mark Schoot, Christiaan Kapper, Geert van Kollenburg, Geert Postma, Gijs van Kessel, Lutgarde Buydens, Jeroen Jansen
Investigating the need for preprocessing of near-infrared spectroscopic data as a function of sample size
Chemometrics and Intelligent Laboratory Systems, 204, 10410, July 2020

20/13 
Steven J. Roeters, M. Sawal, C.E. Eskildsen, M. Panman, G. Tordai, M. Koeman, K. Neymeyr, J.J. Jansen, A.K. Smilde, S. Woutersen
Unraveling VEALYL amyloid formation using advanced vibrational spectroscopy and microscopy
Biophysical Journal, 119 (1) 87-98, July 2020

20/14 
Mridula Prasad
Using spatial methods to analyse mass spectrometry imaging (MSI) data
PhD thesis, October 28, 2020

20/15
Carlo Giuseppe Bertinetto, Jasper Engel, Jeroen Jansen
ANOVA Simultaneous Component Analysis  - A tutorial review
Analytica Chimica Acta X  Volume 6, 100061, November 2020

20/16
Geert van Kollenburg, Henk-Jan van Manen, Jan Gerretzen, Nicole Admiraal, Jeroen Jansen
Low-cost handheld NIR spectroscopy for classification of organic solvents and low-level quantification of water contamination
Talanta, 223 (2), 121865, November 2020

20/17
Gerjen Tinnevelt, Udo Engelke, Ron Wevers, Stefanie Veenhuis, Michel Willemsen, Karlien Coene, Purva Kulkarni, Jeroen Jansen
Variable selection in untargeted metabolomics and the danger of sparsity
Metabolites, 10(11), 470, November 2020

20/18
Mridula Prasad, M.Sc.; Geert Postma; Pietro Franceschi; Lavinia Morosi; Silvia Giordano; Francesca Falcetta; Raffaella Giavazzi; Enrico Davoli; Lutgarde M.C. Buydens; Jeroen Jansen
A methodological approach to correlate tumor heterogeneity with drug distribution profile in mass spectrometry imaging data
GigaScience
9 (11), November 2020

20/19
Roy Spijkerman, Suzanne Bongers, Bas Bindels, Gerjen Tinnevelt, Giulio Giustarini, Nikita Jorritsma, Wiebe Buitenwerf, Daan van Spengler, Eveline Delemarre, Stefan Nierkens, Harriët van Goor, Jeroen Jansen, Nienke Vrisekoop, Falco Hietbrink, Luke Leenen, Karin Kaasjager, and Leo Koenderman
Flow cytometric evaluation of the neutrophil compartment in COVID‐19 at hospital presentation: A normal response to an abnormal situation
Journal of Leukocyte Biology, online December 22, 2020

20/20
Nairveen Ali, Jeroen Jansen, André van den Doel, Gerjen Tinnevelt, Thomas Bocklitz
WE-ASCA: The Weighted-Effect ASCA for Analyzing Unbalanced Multifactorial Designs—A Raman Spectra-Based Example
Molecules, 26(1), 66, December 25, 2020

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