Dataset for: Electron Spin Resonance Studies on Deuterated Nitroxyl Spin Probes Used in Overhauser-enhanced Magnetic Resonance Imaging

The Electron Spin Resonance studies were carried out for 2 mM concentration of 14N and 15N -labeled 3-carbamoyl-2,2,5,5-tetramethyl-pyrrolidine-1-oxyl, 3-carboxy-2,2,5,5-tetramethyl-pyrrolidine-1-oxyl, 3-methoxycarbonyl-2,2,5,5-tetramethyl-pyrrolidine-1-oxyl and their deuterated nitroxyl radicals using X-band Electron Spin Resonance spectrometer. The ESR Line shape analysis was carried out. The Electron Spin Resonance parameters such as, linewidth, Lorentzian component, signal intensity ratio, rotational correlation time, hyperfine coupling constant and g-factor were estimated. The deuterated nitroxyl radicals have narrow linewidth and an increase in Lorentzian component, compared with undeuterated nitroxyl radicals. The dynamic nuclear polarization (DNP) factor was observed for all nitroxyl radicals. Upon 2H labeling, about 70% and 40% increase in dynamic nuclear polarization factor were observed for 14N and 15N-labeled nitroxyl radicals respectively. The signal intensity ratio and g value indicate that the isotropic nature of the nitroxyl radicals in pure water. Therefore, the deuterated nitroxyl radicals are suitable spin probes for in vivo/in vitro electron spin resonance and Overhauser-enhanced magnetic resonance imaging modalities.