Postdoc and PhD positions available

We are looking for postdoctoral fellows and PhD candidates to carry on the quest to improve the sensitivity and ease of use of magnetic resonance spectroscopy. Besides optimal control, we will exploit artificial intelligence and machine learning approaches to streamline the interpretation of spectroscopic data. For details about positions, see the advertisement leaflet under this link.

Welcome

On this site we summarize our experience with application of optimal control in solid state NMR studies of protein samples.

Currently, we have developed tm-SPICE pulse sequences for the traditional (uni-axial, $I_{x} \to S_{x}$ ) magnetization transfer, and TROP pulse sequences performing transverse mixing (simultaneous $I_{x} \to S_{x}$ and $I_{y} \to S_{y}$ ) that allow to systematically enhance sensitivity by $\sqrt{2}$ for each indirect dimension (both for hetero- and homo-nuclear correlations) .

What you find here

Pulse shapes for dipolar recoupling experiments in Downloads
Description how to use these shapes in Experiments

In case of tm-SPICE N-CA and N-CO magnetization transfers, we obtain 1.5-times more signal compared to carefully optimized ramp-CP experiments performed in the range of MAS frequencies 13-20 kHz. Our tm-SPICE shapes can be adapted to any MAS frequency in this range. [3]

In case of TROP transfers, N-dimensional experiments are done in the echo/anti-echo manner using dedicated pulse programs [4]. Experiments show that it is possible to obtain sensitivity gains that go beyond the systematic $\sqrt{2}$ per indirect dimension due to compensation of RF field inhomogeneity.

Homonuclear TROP transfers between CA and CO carbons are reported in our most recent publication [5].

References

Tosner, Z. et al. Radiofrequency fields in MAS solid state NMR probes. J Magn Reson 284, 20-32 (2017). DOI: 10.1016/j.jmr.2017.09.002
Tosner, Z. et al. Overcoming Volume Selectivity of Dipolar Recoupling in Biological Solid-State NMR Spectroscopy. Angew. Chemie - Int. Ed. 57, 14514-14518 (2018). DOI: 10.1002/anie.201805002
Tosner, Z. et al. Maximizing efficiency of dipolar recoupling in solid-state NMR using optimal control sequences. Sci. Adv. 42, abj5913 (2021). DOI: 10.1126/sciadv.abj5913
Blahut, J. et al. Sensitivity-enhanced multidimensional solid-state NMR spectroscopy by optimal-control-based transverse mixing sequences. J. Am. Chem. Soc., 144, 17336-17340 (2022). DOI: 10.1021/jacs.2c06568
Blahut, J, et al. Optimal control derived sensitivity-enhanced CA-CO mixing sequences for MAS solid-state NMR – Applications in sequential protein backbone assignments. J. Magn. Reson. Open 16-17, 100122 (2023). DOI: 10.1016/j.jmro.2023.100122