My fields of study are focused on the fundamentals and applications of mass spectrometry. Specifically, on establishing (semi-)quantitative non-targeted analysis and applying ion mobility separation for complex structural characterization.
I graduated in 2011 from the University of Tartu and continued my studies as a post-doc in Techion, Israel. I was a Humboldt fellow at Freie Universität Berlin (2017–2018) and has supervised several doctoral students at the University of Tartu. I joined Stockholm University in 2019 and I am in charge of the mass spectrometry laboratory.
I was selected in 2018 to be among the Top 40 under 40 power list by the Analytical Scientist.
I use modelling and machine learning to understand ionization processes in electrospray (ESI) and developing semi-quantitative non-targeted analysis methodology.
Quantification is crucial in all branches of analytical chemistry: environmental analysis, metabolomics, and monitoring food contaminants. The method of choice often is mass spectrometry, which guarantees low detection limits and high selectivity. However, targeted analysis is often tedious and limited in their coverage as standards are needed to evaluate the vast differences in ionization efficiencies of different compounds in the electrospray ionization source. The non-targeted analysis with mass spectrometry has been developed to allow detection of contaminants, metabolites, etc. without the use of standard compounds. Still, the lack of quantitative information remains one of the major bottlenecks in non-targeted metabolomics. We develop novel strategies for non-targeted quantification using conventional LC-MS and machine learning approaches. We apply these methods to obtain quantitative results in a number of applications from emerging contaminants in water to metabolites in cell cultures.
Recent publications and a link to Diva for the complete list
- Kruve, A.; Caprice, K.; Lavendomme, R.; Wollschlager, J.M.; Schoder, S.; Schroder, H.V.; Nitschke, J.R.; Cougnon, F.B.L.; Schalley, C.A. Ion-Mobility Mass Spectrometry for the Rapid Determination of the Topology of Interlocked and Knotted Molecules doi 10.1002/anie.201904541
- Kruve, A. Semi-Quantitative Non-Target Analysis of Water with LC/HRMS: How Far Are We? Rapid. Commun. Mass Spectrom. Accepted for Publication. Rapid Commun. Mass Spectrom. 2019, 33 (3), 54–63.
- Liigand, P.; Liigand, J.; Cuyckens, F.; Vreeken, R. J.; Kruve, A. Ionisation Efficiencies Can Be Predicted in Complicated Biological Matrices: A Proof of Concept. Anal. Chim. Acta 2018, 1032, 68–74.
- Liigand, P.; Kaupmees, K.; Haav, K.; Liigand, J.; Leito, I.; Girod, M.; Antoine, R.; Kruve, A. Think Negative: Finding the Best Electrospray Ionization/MS Mode for Your Analyte. Anal. Chem. 2017, 89 (11), 5665–5668.
- Kruve, A.; Kaupmees, K. Predicting ESI/MS Signal Change for Anions in Different Solvents. Anal. Chem. 2017, 89 (9), 5079–5086.
Visiting address Arrheniuslaboratorierna A 337, Svante Arrhenius väg, Stockholm
External website: kruvelab.com
ORCID 0000-0001-9725-3351, http://orcid.org/0000-0001-9725-3351