Pure shift Oneshot

Diffusion-ordered spectroscopy (DOSY) seeks to separate the NMR signals of different species according to their diffusion coefficient. A series of spin echo spectra is measured with different pulsed field gradient strengths, and the signal decays are analysed to extract a set of diffusion coefficients with which to synthesise the diffusion domain of a DOSY spectrum.

Recently we have been investigating the potential of pure shift methods, in which the efffects of scalar couplings are suppressed so that the multiplet structure normally encountered in proton NMR is collapsed, to provide a major improvement in the resolution of proton DOSY experiments (Chemical Communications designated this a "hot paper").


Varian / Agilent
Pulse sequence:
ZSoneshot.c. (right click and chose 'save ... as')
Selective Pulse Shape File:
JA_rsnob_50_0_0.5_0_180.RF. (right click and chose 'save ... as')
Setup Macros:
setup_dosy and makedosyparams. (right click and chose 'save ... as')
Processing Macros:
DpureshiftZS_proc and unpureshift. (right click and chose 'save ... as')
Parameter set:

Pulse sequence:
ZS_Doneshot. (right click and chose 'save ... as')
Parameter set:
Reconstruction Program:
Should be saved in "C:\Bruker\TopSpin3.2\exp\stan\nmr\au\src\user" or the equivalent on your system.
pshift (right click and chose 'save ... as')
To Process Bruker ZS pureshift data we recommend using our reconstruction macro to create a 2D data set then complete the processing using the DOSY toolbox.