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Three new papers out

New publications from the iMR team include:

1) Quantum mechanical simulation of solid effect dynamic nuclear polarisation using Krylov–Bogolyubov time averaging and a restricted state-space

Alexander Karabanov, Anniek van der Drift, Luke J. Edwards, Ilya Kuprov and Walter Köckenberger

Phys. Chem. Chem. Phys., 2012, 14

2) Conversion of parahydrogen induced longitudinal two-spin order to evenly distributed single spin polarisation by optimal control pulse sequences

Christian Bretschneider, Alexander Karabanov, Niels Chr. Nielsen and Walter Köckenberger

3) On the accuracy of the state space restriction approximation for spin dynamics simulations

Alexander Karabanov, Ilya Kuprov, G. T. P. Charnock, Anniek van der Drift, Luke J. Edwards and Walter Köckenberger
Fri 20 Apr 2012, 11:37

Registration Open: Advanced Training Workshop

Registration is open for the iMR CDT Advanced Training Workshop 2012 which will be held at the University of Warwick, from 20 March to 23 March 2012. To register for the workshop please e-mail the iMR CDT Administrator on y.kosar@warwick.ac.uk or imr.cdt@warwick.ac.uk. The registration deadline is 22 February 2012.

Wed 15 Feb 2012, 12:42

New publication: 'A spectrometer designed for 6.7 and 14.1 T DNP-enhanced solid-state MAS NMR using quasi-optical microwave transmission' K.J. Pike et al

ABSTRACT

A Dynamic Nuclear Polarisation (DNP) enhanced solid-state Magic Angle Spinning (MAS) NMR spectrometer operating at 6.7 T is described and demonstrated. The 187 GHz TE13 fundamental mode of the FU CW VII gyrotron is used as the microwave source for this magnetic field strength and 284 MHz 1H DNP-NMR. The spectrometer is designed for use with microwave frequencies up to 395 GHz (the TE16 secondharmonic mode of the gyrotron) for DNP at 14.1 T (600 MHz 1H NMR).


The pulsed microwave output from the gyrotron is converted to a quasi-optical Gaussian beam using a Vlasov antenna and transmitted to the NMR probe via an optical bench, with beam splitters for monitoring and adjusting the microwave power, a ferrite rotator to isolate the gyrotron from the reflected power and a Martin–Puplett interferometer for adjusting the polarisation. The Gaussian beam is reflected by curved mirrors inside the DNP-MAS-NMR probe to be incident at the sample along the MAS rotation axis. The beam is focussed to a 1 mm waist at the top of the rotor and then gradually diverges to give much more efficient coupling throughout the sample than designs using direct waveguide irradiation. The probe can be used in triple channel HXY mode for 600 MHz 1H and double channel HX mode for 284 MHz 1H, with MAS sample temperatures P85 K. Initial data at 6.7 T and 1W pulsed microwave power are presented with 13C enhancements of 60 for a frozen urea solution (1H–13C CP), 16 for bacteriorhodopsin in purple membrane (1H–13C CP) and 22 for 15N in a frozen glycine solution (1H–15N CP) being obtained. In comparison with designs which irradiate perpendicular to the rotation axis the approach used here provides a highly efficient use of the incident microwave beam and an NMR-optimised coil design.

Mon 13 Feb 2012, 12:17

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