TY - JOUR

T1 - Chemical Exchange Reaction Effect on Polarization Transfer Efficiency in SLIC-SABRE

AU - Pravdivtsev, Andrey N.

AU - Skovpin, Ivan V.

AU - Svyatova, Alexandra I.

AU - Chukanov, Nikita V.

AU - Kovtunova, Larisa M.

AU - Bukhtiyarov, Valerii I.

AU - Chekmenev, Eduard Y.

AU - Kovtunov, Kirill V.

AU - Koptyug, Igor V.

AU - Hövener, Jan Bernd

PY - 2018/11/21

Y1 - 2018/11/21

N2 - 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.

AB - 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.

KW - HYDROGEN INDUCED POLARIZATION

KW - DYNAMIC NUCLEAR-POLARIZATION

KW - LIVED SPIN STATES

KW - REVERSIBLE EXCHANGE

KW - N-15 HYPERPOLARIZATION

KW - SIGNAL AMPLIFICATION

KW - TRACE ANALYSIS

KW - HIGH-FIELD

KW - NMR

KW - ORDER

UR - http://www.scopus.com/inward/record.url?scp=85056571688&partnerID=8YFLogxK

U2 - 10.1021/acs.jpca.8b07163

DO - 10.1021/acs.jpca.8b07163

M3 - Article

C2 - 30295488

AN - SCOPUS:85056571688

VL - 122

SP - 9107

EP - 9114

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

SN - 1089-5639

IS - 46

ER -