Chemical Exchange Reaction Effect on Polarization Transfer Efficiency in SLIC-SABRE.
Chemical Exchange Reaction Effect on Polarization Transfer Efficiency in SLIC-SABRE.
复制标题
化学交换反应对 SLIC-SABRE 偏振传输效率的影响。
DOI：
10.1021/acs.jpca.8b07163
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发表时间：
2018
期刊：
影响因子：
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通讯作者：
Hövener,Jan-Bernd
中科院分区：
文献类型：
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作者：
Pravdivtsev,AndreyN;Skovpin,IvanV;Svyatova,AlexandraI;Chukanov,NikitaV;Kovtunova,LarisaM;Bukhtiyarov,ValeriiI;Chekmenev,EduardY;Kovtunov,KirillV;Koptyug,IgorV;Hövener,Jan-Bernd
可逆交换信号放大（SABRE）是一种新兴且迅速发展的超极化技术。最近发现的自旋锁定诱导交叉SABRE（SLIC-SABRE）表明，迄今为止开发的高场超极化转移技术是针对与实验产生的自旋态不一致的单重态自旋顺序进行优化的。在这里，我们研究了SLIC-SABRE方法和迄今为止最先进的定量理论SABRE模型。我们的目标是使用标准的SABRE系统，含吡啶的IrIMes催化剂，在高电场下实现SLIC-SABRE的最高极化。我们证明了SABRE模型的准确性，描述了各种物理参数的影响，如射频场的振幅和频率，以及化学参数的影响，如交换速率常数。通过拟合模型的实验数据，SABRE配合物的有效寿命的估计，以及熵和焓的络合物解离反应。我们表明，第一次，这种SLIC-SABRE模型可以用于评价的化学交换参数，是非常重要的生产高度极化的造影剂，通过SABRE。
Signal Amplification By Reversible Exchange (SABRE) is a new and rapidly developing hyperpolarization technique. The recent discovery of Spin-Lock Induced Crossing SABRE (SLIC-SABRE) showed that high field hyperpolarization transfer techniques developed so far were optimized for singlet spin order that does not coincide with the experimentally produced spin state. Here, we investigated the SLIC-SABRE approach and the most advanced quantitative theoretical SABRE model to date. Our goal is to achieve the highest possible polarization with SLIC-SABRE at high field using the standard SABRE system, IrIMes catalyst with pyridine. We demonstrated the accuracy of the SABRE model describing the effects of various physical parameters such as the amplitude and frequency of the radio frequency field, and the effects of chemical parameters such as the exchange rate constants. By fitting the model to the experimental data, the effective life time of the SABRE complex was estimated, as well as the entropy and enthalpy of the complex-dissociation reaction. We show, for the first time, that this SLIC-SABRE model can be useful for the evaluation of the chemical exchange parameters that are very important for the production of highly polarized contrast agents via SABRE.