Areas of applications
Detection of counterfeiting (e.g. authentication of drug substances, detection of illegal sample treatment)
Comparative analysis
Near infrared spectroscopy (NIR)
Hyperspectral imaging (HSI)
Nuclear magnetic resonanse (NMR)
Chromatography, hyphenated chromatographic techniques (LC-MS, CE-MS, GC-MS, ...)
Bioinformatics
Metabolomics
Environmental sciences
Food control and food safety
Forensic sciences
Medical diagnostics based on metabolomic approaches
QSAR/QSPR and drug design
Quality by design for industrial purposes
Experimental planning
Optimization
Selected publications:
J. Orzel, M. Daszykowski, I. Grabowski, G. Zaleszczyk, M. Sznajder, B. Walczak, Simultaneous determination of solvent yellow 124 and solvent red 19 using fluorescence spectroscopy and chemometrics, Talanta, 101 (2012) 78-84
M. Daszykowski, M.S. Wrobel, H. Czarnik-Matusewicz, B. Walczak, Near-infrared reflectance spectroscopy and multivariate calibration techniques applied to model the protein, fiber and fat contents in rapeseed meal, The Analyst, 133 (2008) 1523-1531
M. Daszykowski, B. Walczak, Use and abuse of chemometrics in chromatography, Trends in Analytical Chemistry, 25 (2006) 1081-1096
R. Put, M. Daszykowski, T. Baczek, Y. Vander Heyden, Retention Prediction of Peptides Based on Uninformative Variable Elimination by Partial Least Squares, Journal of Proteome Research, 5 (2006) 1618-1625
I. Stanimirova, B. Üstün, T. Cajka, K. Riddellova, J. Hajslova, L.M.C. Buydens, B. Walczak, Tracing the geographical origin of honeys using the GCxGC-MS and pattern recognition techniques, Food Chemistry, 118 (2010) 171-176
I. Stanimirova, R. Tauler, B. Walczak, A comparison of positive matrix factorization and the weighted multivariate curve resolution method. Application to environmental data, Environmental Science & Technology 45 (2011) 10102-10110