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Using optimal control methods with constraints to generate singlet states in NMR. / Rodin, Bogdan A.; Kiryutin, Alexey S.; Yurkovskaya, Alexandra V. et al.

In: Journal of Magnetic Resonance, Vol. 291, 01.06.2018, p. 14-22.

Research output: Contribution to journal › Article › peer-review

Harvard

Rodin, BA, Kiryutin, AS, Yurkovskaya, AV, Ivanov, KL, Yamamoto, S, Sato, K & Takui, T 2018, 'Using optimal control methods with constraints to generate singlet states in NMR', Journal of Magnetic Resonance, vol. 291, pp. 14-22. https://doi.org/10.1016/j.jmr.2018.03.005

APA

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

Vancouver

Rodin BA, Kiryutin AS, Yurkovskaya AV, Ivanov KL, Yamamoto S, Sato K et al. Using optimal control methods with constraints to generate singlet states in NMR. Journal of Magnetic Resonance. 2018 Jun 1;291:14-22. doi: 10.1016/j.jmr.2018.03.005

Author

Rodin, Bogdan A. ; Kiryutin, Alexey S. ; Yurkovskaya, Alexandra V. et al. / Using optimal control methods with constraints to generate singlet states in NMR. In: Journal of Magnetic Resonance. 2018 ; Vol. 291. pp. 14-22.

BibTeX

@article{093661de189e474782dac5b4c8ffb217,
title = "Using optimal control methods with constraints to generate singlet states in NMR",
abstract = "A method is proposed for optimizing the performance of the APSOC (Adiabatic-Passage Spin Order Conversion) technique, 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.",
keywords = "Adiabatic passage, Long-lived states, Optimal control theory, Singlet-state NMR, Spin relaxation, SPIN STATES, SLOW DIFFUSION, LIMITS, DIFFUSION-COEFFICIENTS, INVERSION, BROAD-BAND EXCITATION, MOLECULES, ORDER, SPECTROSCOPY, LONG-LIVED STATES",
author = "Rodin, {Bogdan A.} and Kiryutin, {Alexey S.} and Yurkovskaya, {Alexandra V.} and Ivanov, {Konstantin L.} and Satoru Yamamoto and Kazunobu Sato and Takeji Takui",
note = "Publisher Copyright: {\textcopyright} 2018",
year = "2018",
month = jun,
day = "1",
doi = "10.1016/j.jmr.2018.03.005",
language = "English",
volume = "291",
pages = "14--22",
journal = "Journal of Magnetic Resonance",
issn = "1090-7807",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Using optimal control methods with constraints to generate singlet states in NMR

AU - Rodin, Bogdan A.

AU - Kiryutin, Alexey S.

AU - Yurkovskaya, Alexandra V.

AU - Ivanov, Konstantin L.

AU - Yamamoto, Satoru

AU - Sato, Kazunobu

AU - Takui, Takeji

N1 - Publisher Copyright: © 2018

PY - 2018/6/1

Y1 - 2018/6/1

N2 - A method is proposed for optimizing the performance of the APSOC (Adiabatic-Passage Spin Order Conversion) technique, 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.

AB - A method is proposed for optimizing the performance of the APSOC (Adiabatic-Passage Spin Order Conversion) technique, 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.

KW - Adiabatic passage

KW - Long-lived states

KW - Optimal control theory

KW - Singlet-state NMR

KW - Spin relaxation

KW - SPIN STATES

KW - SLOW DIFFUSION

KW - LIMITS

KW - DIFFUSION-COEFFICIENTS

KW - INVERSION

KW - BROAD-BAND EXCITATION

KW - MOLECULES

KW - ORDER

KW - SPECTROSCOPY

KW - LONG-LIVED STATES

UR - http://www.scopus.com/inward/record.url?scp=85044966756&partnerID=8YFLogxK

U2 - 10.1016/j.jmr.2018.03.005

DO - 10.1016/j.jmr.2018.03.005

M3 - Article

C2 - 29626735

AN - SCOPUS:85044966756

VL - 291

SP - 14

EP - 22

JO - Journal of Magnetic Resonance

JF - Journal of Magnetic Resonance

SN - 1090-7807

ER -

ID: 12417653