Using optimal control methods with constraints to generate singlet states in NMR

Using optimal control methods with constraints to generate singlet states in NMR Научная публикация

Журнал

Journal of Magnetic Resonance
ISSN: 1090-7807

Вых. Данные

Год: 2018, Том: 291, Страницы: 14-22 Страниц : 9 DOI: 10.1016/j.jmr.2018.03.005

Ключевые слова

Spin relaxation, Long-lived states, Singlet-state NMR, Adiabatic passage, Optimal control theory

Авторы

Rodin Bogdan A. ^1,2 , Kiryutin Alexey S. ^1,2 , Yurkovskaya Alexandra V. ^1,2 , Ivanov Konstantin L. ^1,2 , Yamamoto Satoru ³ , Sato Kazunobu ³ , Takui Takeji ³

Организации

1	International Tomography Center SB RAS, Novosibirsk 630090, Russia
2	Novosibirsk State University, Novosibirsk 630090, Russia
3	Graduate School of Science, Osaka City University, Osaka, Sumiyoshi, Osaka 558-8585, Japan

A method is proposed for optimizing the performance of the APSOC (Adiabatic-Passage Spin Order Conversion) technique (J. Magn. Reson., 273 (2016) 56-64), which can be exploited in NMR experiments with singlet spin states. In this technique magnetization-to-singlet conversion (and singlet-to-magnetization conversion) is performed by using adiabatically ramped RF-fields. Optimization utilizes the GRAPE (Gradient Ascent Pulse Engineering) approach, in which for a fixed search area we assume monotonicity to the envelope of the RF-field. Such an approach allows one to achieve much better performance for APSOC; consequently, the efficiency of magnetization-to-singlet conversion is greatly improved as compared to simple model RF-ramps, e.g., linear ramps. We also demonstrate that the optimization method is reasonably robust to possible inaccuracies in determining NMR parameters of the spin system under study and also in setting the RF-field parameters. The present approach can be exploited in other NMR and EPR applications using adiabatic switching of spin Hamiltonians.

Rodin B.A. , Kiryutin A.S. , Yurkovskaya A.V. , Ivanov K.L. , Yamamoto S. , Sato K. , Takui T.
Using optimal control methods with constraints to generate singlet states in NMR
Journal of Magnetic Resonance. 2018. V.291. P.14-22. DOI: 10.1016/j.jmr.2018.03.005

Поступила в редакцию:	20 нояб. 2017 г.
Принята к публикации:	9 мар. 2018 г.
Опубликована online:	27 мар. 2018 г.

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