Real-time optimisation of NMR experiments

Real-time optimisation of NMR experiments

j yong

CDT student Jonathan Yong has developed a software package, NMR-POISE (Parameter Optimisation by Iterative Spectral Evaluation), which uses state-of-the-art mathematical algorithms to optimise NMR experiments. Optimisations with POISE can be completed in a short amount of time, typically seconds to minutes, and in a completely automated fashion without direct user supervision.

In a paper published in Analytical Chemistry, the Foroozandeh group have presented the first demonstration of on-the-fly, sample-tailored, and fully automated optimisation of a wide range of solution-state NMR experiments, ranging from NOESY and HSQC to solvent suppression and ultra-fast NMR techniques. POISE is an open-source package with a fully-integrated interface into Bruker’s TopSpin software, one of the most widely used platforms for NMR acquisition and automation.



Read the paper in Analytical Chemistry.