Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Jim Boelrijk"'
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-12 (2023)
Abstract Non-target analysis combined with liquid chromatography high resolution mass spectrometry is considered one of the most comprehensive strategies for the detection and identification of known and unknown chemicals in complex samples. However,
Externí odkaz:
https://doaj.org/article/566fe7114bc44d71961ffb93773e01d8
Contemporary complex samples require sophisticated methods for full analysis. This work describes the development of a Bayesian optimization algorithm for automated and unsupervised development of gradient programs. The algorithm was tailored to LC u
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ba6bdd866c2c2e26ee1058a18a2afb8e
https://doi.org/10.26434/chemrxiv-2022-rbq49
https://doi.org/10.26434/chemrxiv-2022-rbq49
Autor:
Tijmen Bos, Jim Boelrijk, Stef Molenaar, Brian van 't Veer, Leon Niezen, Denice van Herwerden, Saer Samanipour, Dwight Stoll, Patrick Forré, Bernd Ensing, Govert Somsen, Bob Pirok
The great potential gains in separation power and analysis time that can result from rigorously optimizing LC-MS and 2D-LC-MS methods for routine measurements has prompted many scientists to develop computer-aided method-development tools. The applic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f6efa9fe42cf671d3cc07c83ad4c1e44
https://doi.org/10.26434/chemrxiv-2022-7vtxs
https://doi.org/10.26434/chemrxiv-2022-7vtxs
Autor:
Tijmen S. Bos, Jim Boelrijk, Stef R. A. Molenaar, Brian van ’t Veer, Leon E. Niezen, Denice van Herwerden, Saer Samanipour, Dwight R. Stoll, Patrick Forré, Bernd Ensing, Govert W. Somsen, Bob W. J. Pirok
Publikováno v:
Analytical chemistry, 94(46). American Chemical Society
Analytical Chemistry, 94(46), 16060-16068. American Chemical Society
Bos, T S, Boelrijk, J, Molenaar, S R A, Van 'T Veer, B, Niezen, L E, Van Herwerden, D, Samanipour, S, Stoll, D R, Forré, P, Ensing, B, Somsen, G W & Pirok, B W J 2022, ' Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography ', Analytical chemistry, vol. 94, no. 46, pp. 16060–16068 . https://doi.org/10.1021/acs.analchem.2c03160
Analytical Chemistry, 94(46), 16060-16068. American Chemical Society
Bos, T S, Boelrijk, J, Molenaar, S R A, Van 'T Veer, B, Niezen, L E, Van Herwerden, D, Samanipour, S, Stoll, D R, Forré, P, Ensing, B, Somsen, G W & Pirok, B W J 2022, ' Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography ', Analytical chemistry, vol. 94, no. 46, pp. 16060–16068 . https://doi.org/10.1021/acs.analchem.2c03160
The majority of liquid chromatography (LC) methods are still developed in a conventional manner, that is, by analysts who rely on their knowledge and experience to make method development decisions. In this work, a novel, open-source algorithm was de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::50c5058ee583d31b4787eae230c0f81f
https://doi.org/10.1021/acs.analchem.2c03160
https://doi.org/10.1021/acs.analchem.2c03160