We have performed liquid state ("Overhauser") Dynamic Nuclear Polarization (DNP) experiments at high magnetic field (9.2 T, corresponding to 260 GHz EPR and 400 MHz (1)H-NMR resonance frequency) on aqueous solutions of (14)N-TEMPOL nitroxide radicals. Integrated signal enhancements exceeding -80 were observed for the water protons at microwave superheated temperatures (160 °C) and still -14 at ambient temperatures (45 °C) relevant to biological applications. Different contributions contributing to the DNP enhancement such as saturation factor, leakage factor and sample temperature under microwave irradiation could be determined independently for a high spin concentration of 1 M, allowing the calculation of the coupling factors as a function of temperature and a quantitative comparison of this parameter with values derived from field dependent relaxation measurements or predictions from MD simulation.

Liquid state DNP of water at 9.2 T: an experimental access to saturation / Petr Neugebauer;Jan G. Krummenacker;Vasyl P. Denysenkov;Giacomo Parigi;Claudio Luchinat;Thomas F. Prisner. - In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS. - ISSN 1463-9076. - STAMPA. - 15:(2013), pp. 6049-6056. [10.1039/c3cp44461a]

Liquid state DNP of water at 9.2 T: an experimental access to saturation

PARIGI, GIACOMO;LUCHINAT, CLAUDIO;
2013

Abstract

We have performed liquid state ("Overhauser") Dynamic Nuclear Polarization (DNP) experiments at high magnetic field (9.2 T, corresponding to 260 GHz EPR and 400 MHz (1)H-NMR resonance frequency) on aqueous solutions of (14)N-TEMPOL nitroxide radicals. Integrated signal enhancements exceeding -80 were observed for the water protons at microwave superheated temperatures (160 °C) and still -14 at ambient temperatures (45 °C) relevant to biological applications. Different contributions contributing to the DNP enhancement such as saturation factor, leakage factor and sample temperature under microwave irradiation could be determined independently for a high spin concentration of 1 M, allowing the calculation of the coupling factors as a function of temperature and a quantitative comparison of this parameter with values derived from field dependent relaxation measurements or predictions from MD simulation.
2013
15
6049
6056
Petr Neugebauer;Jan G. Krummenacker;Vasyl P. Denysenkov;Giacomo Parigi;Claudio Luchinat;Thomas F. Prisner
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Utilizza questo identificatore per citare o creare un link a questa risorsa: https://hdl.handle.net/2158/803278
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