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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. и др.
в: Journal of Magnetic Resonance, Том 291, 01.06.2018, стр. 14-22.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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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