Výsledky vyhledávání - "Stef R.A. Molenaar"

Development of a chemometric approach to improve the accuracy of copolymer sequence information obtained from pyrolysis gas-chromatography mass-spectrometry data

Autor: Stef R.A. Molenaar, Wouter C. Knol, Bob W.J. Pirok, Ron A.H. Peters

Publikováno v: Journal of Analytical and Applied Pyrolysis. 171:105978

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cf1598e86b93f91e536c37a06f19ccbf
https://doi.org/10.1016/j.jaap.2023.105978

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Improving retention-time prediction in supercritical-fluid chromatography by multivariate modelling

Autor: Stef R.A. Molenaar, Mariyana V. Savova, Rebecca Cross, Paul D. Ferguson, Peter J. Schoenmakers, Bob W.J. Pirok

Publikováno v: Journal of Chromatography A, 1668:462909. Elsevier

The prediction of chromatographic retention under supercritical-fluid chromatography (SFC) conditions was studied, using established and novel theoretical models over ranges of modifier content, pressure and temperature. Whereas retention models used

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2fe51e18b4115d350179dd277c2c25f5
https://pubmed.ncbi.nlm.nih.gov/35245878

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Reducing the influence of geometry-induced gradient deformation in liquid chromatographic retention modelling

Autor: Sascha Lege, Mimi J. den Uijl, Leon E. Niezen, Govert W. Somsen, Peter J. Schoenmakers, Stef R.A. Molenaar, Bob W.J. Pirok, Tijmen S. Bos

Publikováno v: Bos, T S, Niezen, L E, den Uijl, M J, Molenaar, S R A, Lege, S, Schoenmakers, P J, Somsen, G W & Pirok, B W J 2021, ' Reducing the influence of geometry-induced gradient deformation in liquid chromatographic retention modelling ', Journal of Chromatography A, vol. 1635, 461714, pp. 1-9 . https://doi.org/10.1016/j.chroma.2020.461714
Journal of Chromatography A, 1635:461714, 1-9. Elsevier
Journal of Chromatography A, 1635:461714. Elsevier

Rapid optimization of gradient liquid chromatographic (LC) separations often utilizes analyte retention modelling to predict retention times as function of eluent composition. However, due to the dwell volume and technical imperfections, the actual g

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83fd95befd1e98859ed22b13b8f0aa51
https://dare.uva.nl/personal/pure/en/publications/reducing-the-influence-of-geometryinduced-gradient-deformation-in-liquid-chromatographic-retention-modelling(8703fddc-e835-4194-951a-232a59e89abf).html

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Recent applications of chemometrics in one- and two-dimensional chromatography

Autor: Leon E. Niezen, Govert W. Somsen, Stef R.A. Molenaar, Tijmen S. Bos, Peter J. Schoenmakers, Bob W.J. Pirok, Wouter C. Knol

Publikováno v: Bos, T S, Knol, W C, Molenaar, S R A, Niezen, L E, Schoenmakers, P J, Somsen, G W & Pirok, B W J 2020, ' Recent applications of chemometrics in one-and two-dimensional chromatography ', Journal of Separation Science, vol. 43, no. 9-10, pp. 1678-1727 . https://doi.org/10.1002/jssc.202000011
Journal of Separation Science

The proliferation of increasingly more sophisticated analytical separation systems, often incorporating increasingly more powerful detection techniques, such as high‐resolution mass spectrometry, causes an urgent need for highly efficient data‐an

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::551b4b429b85211b329ee1ef604db7a6
https://hdl.handle.net/1871.1/5ec3f8fb-5a42-4d22-8c36-da9f403f6bef

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Peak-Tracking Algorithm for Use in Automated Interpretive Method-Development Tools in Liquid Chromatography

Autor: Stef R.A. Molenaar, Bob W.J. Pirok, Liana S. Roca, Peter J. Schoenmakers

Publikováno v: Analytical Chemistry, 90(23), 14011-14019. American Chemical Society
Analytical Chemistry

A peak-tracking algorithm for chromatograms recorded using liquid chromatography and mass spectrometry was developed. Peaks are tracked across chromatograms using the spectrometric information, the statistical moments of the chromatographic peaks, an

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a3457f9fff860307121ec7b6e3006425
https://doi.org/10.1021/acs.analchem.8b03929

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Applicability of retention modelling in hydrophilic-interaction liquid chromatography for algorithmic optimization programs with gradient-scanning techniques

Autor: Rianne E. van Outersterp, Bob W.J. Pirok, Stef R.A. Molenaar, Peter J. Schoenmakers

Publikováno v: Journal of Chromatography A, 1530, 104-111. Elsevier

Computer-aided method-development programs require accurate models to describe retention and to make predictions based on a limited number of scouting gradients. The performance of five different retention models for hydrophilic-interaction chromatog

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e35e5feef5ea32644d81d9c2e1783d8b
https://dare.uva.nl/personal/pure/en/publications/applicability-of-retention-modelling-in-hydrophilicinteraction-liquid-chromatography-for-algorithmic-optimization-programs-with-gradientscanning-techniques(3215b9e4-2248-4a89-80bb-cb8225271591).html

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