Publications

M. Leśko, K. Kaczmarski, M. Jora, K. Stavenhagen, T. Leek, W. Czechtizky, T. Fornstedt, J. Samuelsson, Strategies for predictive modeling of overloaded oligonucleotide elution profiles in ion-pair chromatography, Journal of Chromatography A 1711 (2024) 464446. https://doi.org/10.1016/j.chroma.2023.464446. Cite

M. Enmark, I. Furlan, P. Habibollahi, C. Manz, T. Fornstedt, J. Samuelsson, E. Örnskov, M. Jora, Expanding the Analytical Toolbox for the Nondenaturing Analysis of siRNAs with Salt-Mediated Ion-Pair Reversed-Phase Liquid Chromatography, Anal. Chem. (2024). https://doi.org/10.1021/acs.analchem.4c05248. Cite

J. Samuelsson, M. Leśko, L. Thunberg, A.L. Weinmann, F. Limé, M. Enmark, T. Fornstedt, Fundamental investigation of impact of water and TFA additions in peptide sub/supercritical fluid separations, Journal of Chromatography A 1732 (2024) 465203. https://doi.org/10.1016/j.chroma.2024.465203. Cite

A. Haseeb, M.X. Fernandes, J. Samuelsson, Modelling the pH dependent retention and competitive adsorption of charged and ionizable solutes in mixed-mode and reversed-phase liquid chromatography, Journal of Chromatography A 1730 (2024) 465058. https://doi.org/10.1016/j.chroma.2024.465058. Cite

T. Fornstedt, M. Enmark, Separation of therapeutic oligonucleotides using ion-pair reversed-phase chromatography based on fundamental separation science, Journal of Chromatography Open 3 (2023) 100079. https://doi.org/10.1016/j.jcoa.2023.100079. Cite

H. Ravald, S. Jaikishan, J. Samuelsson, A. Sukhova, V. Šolínová, T. Fornstedt, V. Kašička, S.K. Wiedmer, Capillary electrokinetic chromatography for studying interactions between β-blockers and Intralipid emulsion, Journal of Pharmaceutical and Biomedical Analysis 234 (2023) 115554. https://doi.org/10.1016/j.jpba.2023.115554. Cite

E.D. Pusfitasari, J. Ruiz-Jimenez, J. Samuelsson, V. Besel, T. Fornstedt, K. Hartonen, M.-L. Riekkola, Assessment of physicochemical properties of sorbent materials in passive and active sampling systems towards gaseous nitrogen-containing compounds, Journal of Chromatography A 1703 (2023) 464119. https://doi.org/10.1016/j.chroma.2023.464119. Cite

M. Enmark, J. Samuelsson, T. Fornstedt, Development of a unified gradient theory for ion-pair chromatography using oligonucleotide separations as a model case, Journal of Chromatography A 1691 (2023) 463823. https://doi.org/10.1016/j.chroma.2023.463823. Cite

A. Haseeb, M. Rova, J. Samuelsson, Method development for the acquisition of adsorption isotherm of ion pair reagents Tributylamine and Triethylamine in ion pair chromatography, Journal of Chromatography A 1687 (2023) 463687. https://doi.org/10.1016/j.chroma.2022.463687. Cite

M. Leśko, K. Kaczmarski, T. Fornstedt, J. Samuelsson, A closer study of overloaded elution bands and their perturbation peaks in ion-pair chromatography, Journal of Chromatography A 1682 (2022) 463491. https://doi.org/10.1016/j.chroma.2022.463491. Cite

T. Liangsupree, E. Multia, P. Forssén, T. Fornstedt, M.-L. Riekkola, Kinetics and interaction studies of anti-tetraspanin antibodies and ICAM-1 with extracellular vesicle subpopulations using continuous flow quartz crystal microbalance biosensor, Biosensors and Bioelectronics 206 (2022) 114151. https://doi.org/10.1016/j.bios.2022.114151. Cite

M. Enmark, J. Häggström, J. Samuelsson, T. Fornstedt, Building machine-learning-based models for retention time and resolution predictions in ion pair chromatography of oligonucleotides, Journal of Chromatography A 1671 (2022) 462999. https://doi.org/10.1016/j.chroma.2022.462999. Cite

T. Fornstedt, M. Enmark, J. Samuelsson, Method transfer in SFC from a fundamental perspective, TrAC Trends in Analytical Chemistry 149 (2022) 116551. https://doi.org/10.1016/j.trac.2022.116551. Cite

A.R. Gutgsell, A. Gunnarsson, P. Forssén, E. Gordon, T. Fornstedt, S. Geschwindner, Biosensor-Enabled Deconvolution of the Avidity-Induced Affinity Enhancement for the SARS-CoV-2 Spike Protein and ACE2 Interaction, Anal. Chem. (2021). https://doi.org/10.1021/acs.analchem.1c04372. Cite

M. Leśko, J. Samuelsson, K. Kaczmarski, T. Fornstedt, Experimental and theoretical investigation of high- concentration elution bands in ion-pair chromatography, Journal of Chromatography A (2021) 462541. https://doi.org/10.1016/j.chroma.2021.462541. Cite

M. Enmark, S. Harun, J. Samuelsson, E. Örnskov, L. Thunberg, A. Dahlén, T. Fornstedt, Selectivity limits of and opportunities for ion pair chromatographic separation of oligonucleotides, Journal of Chromatography A 1651 (2021) 462269. https://doi.org/10.1016/j.chroma.2021.462269. Cite

M. Enmark, J. Samuelsson, T. Fornstedt, A Retention-Matching Strategy for Method Transfer in Supercritical Fluid Chromatography: Introducing the Isomolar Plot Approach, Anal. Chem. 93 (2021) 6385–6393. https://doi.org/10.1021/acs.analchem.0c05142. Cite

M. Leśko, J. Samuelsson, E. Glenne, K. Kaczmarski, T. Fornstedt, Predictions of overloaded concentration profiles in supercritical fluid chromatography, Journal of Chromatography A 1639 (2021) 461926. https://doi.org/10.1016/j.chroma.2021.461926. Cite

J. Bagge, M. Enmark, M. Leśko, F. Limé, T. Fornstedt, J. Samuelsson, Impact of stationary-phase pore size on chromatographic performance using oligonucleotide separation as a model, Journal of Chromatography A 1634 (2020) 461653. https://doi.org/10.1016/j.chroma.2020.461653. Cite

E. Glenne, M. Leśko, J. Samuelsson, T. Fornstedt, Impact of Methanol Adsorption on the Robustness of Analytical Supercritical Fluid Chromatography in Transfer from SFC to UHPSFC, Anal. Chem. 92 (2020) 15429–15436. https://doi.org/10.1021/acs.analchem.0c03106. Cite

P. Forssén, J. Samuelsson, K. Lacki, T. Fornstedt, Advanced Analysis of Biosensor Data for SARS-CoV-2 RBD and ACE2 Interactions, Anal. Chem. (2020). https://doi.org/10.1021/acs.analchem.0c02475. Cite

M. Leśko, J. Samuelsson, D. Åsberg, K. Kaczmarski, T. Fornstedt, Evaluating the advantages of higher heat conductivity in a recently developed type of core-shell diamond stationary phase particle in UHPLC, Journal of Chromatography A (2020) 461076. https://doi.org/10.1016/j.chroma.2020.461076. Cite

E. Glenne, J. Samuelsson, H. Leek, P. Forssén, M. Klarqvist, T. Fornstedt, Systematic investigations of peak distortions due to additives in supercritical fluid chromatography, Journal of Chromatography A (2020) 461048. https://doi.org/10.1016/j.chroma.2020.461048. Cite

M. Enmark, J. Bagge, J. Samuelsson, L. Thunberg, E. Örnskov, H. Leek, F. Limé, T. Fornstedt, Analytical and preparative separation of phosphorothioated oligonucleotides: columns and ion-pair reagents, Anal Bioanal Chem 412 (2020) 299–309. https://doi.org/10.1007/s00216-019-02236-9. Cite

T. Liangsupree, E. Multia, J. Metso, M. Jauhiainen, P. Forssén, T. Fornstedt, K. Öörni, A. Podgornik, M.-L. Riekkola, Rapid affinity chromatographic isolation method for LDL in human plasma by immobilized chondroitin-6-sulfate and anti-apoB-100 antibody monolithic disks in tandem, Sci Rep 9 (2019) 1–10. https://doi.org/10.1038/s41598-019-47750-z. Cite

M. Enmark, M. Rova, J. Samuelsson, E. Örnskov, F. Schweikart, T. Fornstedt, Investigation of factors influencing the separation of diastereomers of phosphorothioated oligonucleotides, Anal Bioanal Chem 411 (2019) 3383–3394. https://doi.org/10.1007/s00216-019-01813-2. Cite

J. Samuelsson, F.F. Eiriksson, D. Åsberg, M. Thorsteinsdóttir, T. Fornstedt, Determining gradient conditions for peptide purification in RPLC with machine-learning-based retention time predictions, Journal of Chromatography A 1598 (2019) 92–100. https://doi.org/10.1016/j.chroma.2019.03.043. Cite

C.M. Vera, J. Samuelsson, T. Fornstedt, G.R. Dennis, R.A. Shalliker, Visualisation of axial temperature gradients and heat transfer process of different solvent compositions in ultra high performance liquid chromatography using thermography, Microchemical Journal 145 (2019) 927–935. https://doi.org/10.1016/j.microc.2018.11.037. Cite

Y. Zhang, Z. Yao, P. Forssen, T. Fornstedt, Estimating the Rate Constant from Biosensor Data via an Adaptive Variational Bayesian Approach, ArXiv:1902.03795 [Math, Stat] (2019). http://arxiv.org/abs/1902.03795 (accessed April 7, 2019). Cite

E. Glenne, Fundamental Investigations of Adsorption in SFC, Thesis:Fundamental Investigations of Adsorption in SFC (2019). http://urn.kb.se/resolve?urn=urn:nbn:se:kau:diva-75766 (accessed April 2, 2020). Cite

M. Enmark, E. Glenne, M. Leśko, A. Langborg Weinmann, T. Leek, K. Kaczmarski, M. Klarqvist, J. Samuelsson, T. Fornstedt, Investigation of robustness for supercritical fluid chromatography separation of peptides: Isocratic vs gradient mode, J. Chromatogr. A 1568 (2018) 177–187. https://doi.org/10.1016/j.chroma.2018.07.029. Cite

C.M. Vera, J. Samuelsson, T. Fornstedt, G.R. Dennis, R.A. Shalliker, Protocol for the visualisation of axial temperature gradients in ultra high performance liquid chromatography using infrared cameras, Microchemical Journal 141 (2018) 141–147. https://doi.org/10.1016/j.microc.2018.05.004. Cite

J. Samuelsson, M. Leśko, M. Enmark, J. Högblom, A. Karlsson, K. Kaczmarski, Optimizing Column Length and Particle Size in Preparative Batch Chromatography Using Enantiomeric Separations of Omeprazole and Etiracetam as Models: Feasibility of Taguchi Empirical Optimization, Chromatographia 81 (2018) 851–860. https://doi.org/10.1007/s10337-018-3519-z. Cite

P. Forssén, E. Multia, J. Samuelsson, M. Andersson, T. Aastrup, S. Altun, D. Wallinder, L. Wallbing, T. Liangsupree, M.-L. Riekkola, T. Fornstedt, Reliable Strategy for Analysis of Complex Biosensor Data, Analytical Chemistry 90 (2018) 5366–5374. https://doi.org/10.1021/acs.analchem.8b00504. Cite

P. Forssén, T. Fornstedt, Impact of column and stationary phase properties on the productivity in chiral preparative LC, J Sep Sci 41 (2018) 1346–1354. https://doi.org/10.1002/jssc.201701435. Cite

Y. Zhang, P. Forssén, T. Fornstedt, M. Gulliksson, X. Dai, An adaptive regularization algorithm for recovering the rate constant distribution from biosensor data, Inverse Problems in Science and Engineering (2017) 1–26. https://doi.org/10.1080/17415977.2017.1411912. Cite

D. Åsberg, M. Leśko, T. Leek, J. Samuelsson, K. Kaczmarski, T. Fornstedt, Estimation of Nonlinear Adsorption Isotherms in Gradient Elution RP-LC of Peptides in the Presence of an Adsorbing Additive, Chromatographia 80 (2017) 961–966. https://doi.org/10.1007/s10337-017-3298-y. Cite

E. Forss, D. Haupt, O. Stålberg, M. Enmark, J. Samuelsson, T. Fornstedt, Chemometric evaluation of the combined effect of temperature, pressure, and co-solvent fractions on the chiral separation of basic pharmaceuticals using actual vs set operational conditions, J. Chromatogr. A 1499 (2017) 165–173. https://doi.org/10.1016/j.chroma.2017.03.077. Cite

E. Glenne, H. Leek, M. Klarqvist, J. Samuelsson, T. Fornstedt, Systematic investigations of peak deformations due to co-solvent adsorption in preparative supercritical fluid chromatography, Journal of Chromatography A 1496 (2017) 141–149. https://doi.org/10.1016/j.chroma.2017.03.053. Cite

D. Åsberg, A. Langborg Weinmann, T. Leek, R.J. Lewis, M. Klarqvist, M. Leśko, K. Kaczmarski, J. Samuelsson, T. Fornstedt, The importance of ion-pairing in peptide purification by reversed-phase liquid chromatography, Journal of Chromatography A 1496 (2017) 80–91. https://doi.org/10.1016/j.chroma.2017.03.041. Cite

E. Multia, H. Sirén, K. Andersson, J. Samuelsson, P. Forssén, T. Fornstedt, K. Öörni, M. Jauhiainen, M.-L. Riekkola, Thermodynamic and kinetic approaches for evaluation of monoclonal antibody - Lipoprotein interactions, Analytical Biochemistry 518 (2017) 25–34. https://doi.org/10.1016/j.ab.2016.10.024. Cite

D. Åsberg, M. Chutkowski, M. Leśko, J. Samuelsson, K. Kaczmarski, T. Fornstedt, A practical approach for predicting retention time shifts due to pressure and temperature gradients in ultra-high-pressure liquid chromatography, J. Chromatogr. A 1479 (2017) 107–120. https://doi.org/10.1016/j.chroma.2016.11.050. Cite

T. Fornstedt, P. Forssén, J. Samuelsson, Chapter 24 - Modeling of preparative liquid chromatography, in: S. Fanali, P.R. Haddad, C.F. Poole, M.-L. Riekkola (Eds.), Liquid Chromatography (Second Edition), Elsevier, 2017: pp. 573–592. https://doi.org/10.1016/B978-0-12-805393-5.00024-5. Cite

J. Samuelsson, R.A. Shalliker, T. Fornstedt, Viscosity contrast effects in analytical scale chromatography - Evidence and impact, Microchemical Journal 130 (2017) 102–107. https://doi.org/10.1016/j.microc.2016.08.007. Cite

G. Lin, Y. Zhang, X. Cheng, M. Gulliksson, P. Forssén, T. Fornstedt, A regularizing Kohn–Vogelius formulation for the model-free adsorption isotherm estimation problem in chromatography, Applicable Analysis (2017) 1–28. https://doi.org/10.1080/00036811.2017.1284311. Cite

E. Glenne, H. Leek, M. Klarqvist, J. Samuelsson, T. Fornstedt, Peak deformations in preparative supercritical fluid chromatography due to co-solvent adsorption, Journal of Chromatography A 1468 (2016) 200–208. https://doi.org/10.1016/j.chroma.2016.09.019. Cite

Y. Zhang, G.-L. Lin, P. Forssén, M. Gulliksson, T. Fornstedt, X.-L. Cheng, A regularization method for the reconstruction of adsorption isotherms in liquid chromatography, Inverse Problems 32 (2016) 105005. https://doi.org/10.1088/0266-5611/32/10/105005. Cite

D. Åsberg, M. Nilsson, S. Olsson, J. Samuelsson, O. Svensson, S. Klick, J. Ennis, P. Butterworth, D. Watt, S. Iliadou, A. Karlsson, J.T. Walker, K. Arnot, N. Ealer, K. Hernqvist, K. Svensson, A. Grinell, P.-O. Quist, A. Karlsson, T. Fornstedt, A quality control method enhancement concept—Continual improvement of regulatory approved QC methods, J. Pharm. Biomed. Anal. 129 (2016) 273–281. https://doi.org/10.1016/j.jpba.2016.06.018. Cite

Y. Zhang, G. Lin, M. Gulliksson, P. Forssén, T. Fornstedt, X. Cheng, An adjoint method in inverse problems of chromatography, Inverse Problems in Science and Engineering (2016) 1–26. https://doi.org/10.1080/17415977.2016.1222528. Cite

D. Åsberg, M. Leśko, J. Samuelsson, A. Karlsson, K. Kaczmarski, T. Fornstedt, Combining Chemometric Models with Adsorption Isotherm Measurements to Study Omeprazole in RP-LC, Chromatographia 79 (2016) 1283–1291. https://doi.org/10.1007/s10337-016-3151-8. Cite