Thesis SI

This SI includes most of the pulse sequences/analysis scripts used in my thesis.

Bruker pulse sequences
- 1H spin diffusion coefficient measurement (Holeburn_lgcp_2d.tk506, adapted from [1-2])
- Goldman-Shen-CP (GSCP) experiments (slgscp_pmz.tk506)
- Goldman-Shen-PDSD (GSPDSD) experiments (gscpSPINDIFF2.tk506)
- Relaxation measurements: T1rho (T1rho.tk506)
- Homonuclear FSLG experiment indirect dimension referencing/scaling [3]

Matlab scripts: (should work with Topspin 4.2.0, but some scripts might use the older vplist/vdlist file location). Works with RBNMR [4].
- Simulations of spin diffusion in a cell membrane in contact of ECM (diffusion_simulation.m)
- Measurement of proton spin diffusion coefficient from the hole burn sequence (holeburn2d_processing.m) using model from [2]
- Analysis of stress-strain curves from the CSV file generated by the DEBEN software
- Matlab scripts to convert shielding tensors from Gaussian09 into chemical shifts.
- Mathematica script to plot CSA tensors on a protein, based on [5]
- Scripts to process relaxation data. Including 1d (multi)exponential fits, and ROSY 2D plot plotting Relaxation time vs chemical shift

[1] Q. Chen and K. Schmidt-Rohr, ‘Measurement of the local 1H spin-diffusion coefficient in polymers’, Solid State Nuclear Magnetic Resonance, vol. 29, no. 1–3, pp. 142–152, 2006, doi: 10.1016/j.ssnmr.2005.09.008.
[2] B. J. Walder, N. A. Prisco, F. M. Paruzzo, J. R. Yarava, B. F. Chmelka, and L. Emsley, ‘Measurement of Proton Spin Diffusivity in Hydrated Cementitious Solids’, The Journal of Physical Chemistry Letters, vol. 10, no. 17, pp. 5064–5069, 2019, doi: 10.1021/acs.jpclett.9b01861.
[3] B. Kumari, M. Brodrecht, T. Gutmann, H. Breitzke, and G. Buntkowsky, ‘Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG’, Appl Magn Reson, vol. 50, no. 12, pp. 1399–1407, Dec. 2019, doi: 10.1007/s00723-019-01156-2.
[4] Nils Nyberg, ‘RBNMR’. MATLAB Central File Exchange, Jan. 24, 2021. [Online]. Available: https://www.mathworks.com/matlabcentral/fileexchange/40332-rbnmr
[5] R. P. Young, C. R. Lewis, C. Yang, L. Wang, J. K. Harper, and L. J. Mueller, ‘TensorView: A software tool for displaying NMR tensors’, Magn Reson Chem, vol. 57, no. 5, pp. 211–223, May 2019, doi: 10.1002/mrc.4793.