Římal Václav, Bunyatova Eleonora I, Štěpánková Helena
Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, 18000 Prague 8, Czech Republic.
Joint Institute for Nuclear Research, 141980 Dubna, Russia.
Molecules. 2024 Feb 5;29(3):738. doi: 10.3390/molecules29030738.
Dynamic nuclear polarization for nuclear magnetic resonance (NMR) spectroscopy and imaging uses free radicals to strongly enhance the NMR signal of a compound under investigation. At the same time, the radicals shorten significantly its nuclear spin relaxation times which reduces the time window available for the experiments. Radical scavenging can overcome this drawback. Our work presents a detailed study of the reduction of the TEMPOL radical by ascorbic acid in solution by high-resolution NMR. Carbon-13 and hydrogen-1 nuclear spin relaxations are confirmed to be restored to their values without TEMPOL. Reaction mechanism, kinetics, and the influence of pD and viscosity are thoroughly discussed. The detailed investigation conducted in this work should help with choosing suitable concentrations in the samples for dynamic nuclear polarization and optimizing the measurement protocols.
用于核磁共振(NMR)光谱学和成像的动态核极化利用自由基来显著增强所研究化合物的NMR信号。与此同时,自由基会显著缩短其核自旋弛豫时间,从而减少了可用于实验的时间窗口。自由基清除可以克服这一缺点。我们的工作通过高分辨率NMR对溶液中抗坏血酸还原TEMPOL自由基进行了详细研究。证实碳-13和氢-1核自旋弛豫恢复到没有TEMPOL时的值。深入讨论了反应机理、动力学以及pD和粘度的影响。这项工作中进行的详细研究应有助于选择样品中用于动态核极化的合适浓度并优化测量方案。