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J Biomol NMR. 2013 Mar;55(3):291-302. doi: 10.1007/s10858-013-9714-1. Epub 2013 Feb 19.

Pulse design for broadband correlation NMR spectroscopy by multi-rotating frames.

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  • 1School of Engineering and Applied Sciences, Harvard University, Cambridge, MA 02318, USA.


We present a method for designing radio-frequency (RF) pulses for broadband or multi-band isotropic mixing at low power, suitable for protein NMR spectroscopy. These mixing pulses are designed analytically, rather than by numerical optimization, by repeatedly constructing new rotating frames of reference. We show how pulse parameters can be chosen frame-by-frame to systematically reduce the effective chemical shift bandwidth, but maintain most of the effective J-coupling strength. The effective Hartmann-Hahn mixing condition is then satisfied in a multi-rotating frame of reference. This design method yields multi-band and broadband mixing pulses at low RF power. In particular, the ratio of RF power to mixing bandwidth for these pulses is lower than for existing mixing pulses, such as DIPSI and FLOPSY. Carbon-carbon TOCSY experiments at low RF power support our theoretical analysis.

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