We are an international research group focusing on the development of advanced solid-state NMR experiments through computer optimizations. In solid-state NMR, structural information is obtained from correlations between atoms established via intriguing interplay of radiofrequency pulses and fast sample rotation, which modulates orientation dependent anisotropic interactions. By application of optimal control theory, we have demonstrated a significant enhancement in the sensitivity of each magnetization transfer step within high dimensional experiments essential for resonance assignment in protein applications, with gains on the order of x2-3 per transfer.

We are looking for a postdoctoral fellow to carry on the quest to improve the sensitivity and ease of use of magnetic resonance spectroscopy.

The proposed project aims to mitigate the adverse effects of hardware properties of (ultra)fast-spinning MAS probes, including spatial rf field distributions and pulse transients. Computer optimizations will use adaptive algorithms accounting for multi-spin effects in proton dipolar networks. Innovative techniques will exploit the concept of sensitivity enhancement via coherence order transfers in multidimensional correlation experiments. Implementing non-traditional transfers will require new data processing techniques, supported by artificial intelligence and machine learning algorithms, to streamline the interpretation of spectroscopic data.

Depending on the primary interest of the candidate, the research will be carried out in close collaboration with the groups of Bernd Reif, Technical University of Munich, Germany (focusing on biological samples), or Niels Chr. Nielsen, Aarhus University, Denmark (focusing on pulsed DNP), or Jiří Čejka, Charles University, Prague (focusing on NMR of zeolites). Interested candidates should have a solid background in either physical chemistry, quantum mechanics, or math. Theoretical and practical experience with NMR will be an advantage. Competitive remunerations are offered. Applications to MSCA fellowships will be supported

References:

1. Tošner Z, Sarkar R, Becker-Baldus J, Glaubitz C, Wegner S, Engelke F, Glaser SJ, Reif B (2018) Overcoming volume selectivity of dipolar recoupling in biological solid-state NMR. Angew Chem Int Ed Engl. 57: 14514-14518; doi: 10.1002/anie.201805002.
2. Blahut J, Brandl MJ, Pradhan T, Reif B, Tosner Z (2022) Sensitivity-Enhanced Multi¬dimensional Solid-State NMR Spectroscopy by Optimal-Control-Based Transverse Mixing Sequences. J. Am. Chem. Soc. 144: 17336-17340; doi: 10.1021/jacs.2c06568.
3. Blahut J, Brandl MJ, Sarkar R, Reif B, Tošner Z (2023) Optimal Control Derived Sensitivity-enhanced CA-CO Mixing Sequences for MAS Solid-state NMR – Applications in Sequential Protein Backbone Assignments. JMRO 16-17: e100122; doi: 10.1016/j.jmro.2023.100122.

Salary: co-founding 1000 EUR/month is ensured

Co-founding resources: NMR laboratory, Chemical section, GAČR  24-13437L

Department: Department of physical and macromolecular chemistry

Supervisor: RNDr. Zdeněk Tošner, Ph.D.

E-mail: zdenek.tosner@natur.cuni.cz

Phone: +420 221 95 1323

Position available from: January 1, 2025

Deadline date for applications: 24th July, 2024

Applicants must submit required documents to: RNDr. Zdeněk Tošner, Ph.D. (project supervisor)

and in a copy to pavla.pouskova@natur.cuni.cz (International Department)