Projects funded by the NCN
Optimal-transport based algorithms for Mass Spectrometry and NMR
2021/41/B/ST6/03526
Keywords:
optimal transport Wasserstein metric linear programming mass spectrometry NMR
Descriptors:
- ST6_011:
- ST6_013:
- NZ2_003:
Panel:
ST6 - Computer science and informatics: informatics and information systems, computer science, scientific computing, intelligent systems
Host institution :
Uniwersytet Warszawski, Wydział Matematyki, Informatyki i Mechaniki
woj. mazowieckie
Principal investigator (from the host institution):
Number of co-investigators in the project: 6
Call: OPUS 21 - announced on 2021-03-15
Amount awarded: 1 044 600 PLN
Project start date (Y-m-d): 2022-01-18
Project end date (Y-m-d): 2026-01-17
Project duration:: 48 months (the same as in the proposal)
Project status: Pending project
Project description
Download the project description in a pdf file
Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.
Information in the final report
- Publication in academic press/journals (2)
- Magnetstein: An Open-Source Tool for Quantitative NMR Mixture Analysis Robust to Low Resolution, Distorted Lineshapes, and Peak ShiftsAuthors:Barbara Domżał, Ewa Klaudia Nawrocka, Dariusz Gołowicz, Michał Aleksander Ciach, Błażej Miasojedow, Krzysztof Kazimierczuk, and Anna GambinAcademic press:Analytical Chemistry (rok: 2023, tom: 96(1), strony: 188-196), Wydawca: American Chemical SocietyStatus:PublishedDOI:10.1021/acs.analchem.3c03594 - link to the publication
- Coprecipitation as a One-Step Se Separation for Determination of Isotope Ratios Completed with Revised Uncertainty EvaluationAuthors:Jakub Karasiński, Klaudia Tetfejer, Piotr Radziński, Andrii Tupys, Anna Gambin, Ewa Bulska, Ludwik HaliczAcademic press:Analytical Chemistry (rok: 2024, tom: ASAP, strony: 45666), Wydawca: American Chemical SocietyStatus:PublishedDOI:10.1021/acs.analchem.3c04210 - link to the publication