{"title":"Complete solution for rotating frame relaxation functions during adiabatic pulses","authors":"Shalom Michaeli","doi":"10.1016/j.jmr.2024.107809","DOIUrl":null,"url":null,"abstract":"<div><div>During adiabatic full passage (AFP) radiofrequency (RF) pulses the relaxation functions are conventionally treated in the Tilting Doubly Rotating Frame (TDRF), or the second rotating frame (SRF) of reference. Such a description is adequate when during the adiabatic passage the magnetization <strong>M</strong> is perfectly aligned with the time dependent effective magnetic field, <strong><em>B<sup>(1)</sup><sub>eff</sub></em></strong><em>(t)</em>, leading to <em>T<sub>1ρ</sub>(t)</em> relaxation, or evolves on a plane perpendicular to <strong><em>B<sup>(1)</sup><sub>eff</sub></em></strong><em>(t)</em>, leading to <em>T<sub>2ρ</sub>(t)</em> relaxation. Time evolution of <strong><em>B<sup>(1)</sup><sub>eff</sub></em></strong><em>(t)</em> results in formation of a fictitious magnetic field, which is typically neglected during the AFP pulses operating in adiabatic regime, i.e., given that the adiabatic condition <em>|γ<sup>−1</sup>dα<sup>(1)</sup>(t)/dt|</em> ≪ <em>B<sup>(1)</sup><sub>eff</sub>(t)</em> is well satisfied. Here <em>α<sup>(1)</sup>(t)</em> is the angle between <strong><em>B<sup>(1)</sup><sub>eff</sub></em></strong><em>(t)</em> and the axis of quantization of the first rotating frame (FRF) <em>z′</em>, and <em>dα<sup>(1)</sup>(t)/dt</em> is the angular velocity. When the fictitious field component cannot be neglected, for the adequate description of relaxation during AFP pulses the solutions for the relaxation functions in a multi-fold rotating frame are necessary. Such a general treatment is currently unavailable for adiabatic RF pulses. Here, we obtain the solution for the relaxation functions in the Tilting Triply Rotating Frame (TTRF) during the Hyperbolic Secant (HS) pulses of the HSn family, HS1 and HS4, where <em>n</em> is the stretching factor. We show that the contribution to the relaxations originating from the non-negligible magnitude of the fictitious field depends on the pulse modulation functions of the AFP pulses and the parameters of the pulses. The corrections to describe the relaxations are given, which may be relevant in specific experimental setups especially for high-resolution NMR.</div></div>","PeriodicalId":16267,"journal":{"name":"Journal of magnetic resonance","volume":"370 ","pages":"Article 107809"},"PeriodicalIF":2.0000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of magnetic resonance","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1090780724001939","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
引用次数: 0
Abstract
During adiabatic full passage (AFP) radiofrequency (RF) pulses the relaxation functions are conventionally treated in the Tilting Doubly Rotating Frame (TDRF), or the second rotating frame (SRF) of reference. Such a description is adequate when during the adiabatic passage the magnetization M is perfectly aligned with the time dependent effective magnetic field, B(1)eff(t), leading to T1ρ(t) relaxation, or evolves on a plane perpendicular to B(1)eff(t), leading to T2ρ(t) relaxation. Time evolution of B(1)eff(t) results in formation of a fictitious magnetic field, which is typically neglected during the AFP pulses operating in adiabatic regime, i.e., given that the adiabatic condition |γ−1dα(1)(t)/dt| ≪ B(1)eff(t) is well satisfied. Here α(1)(t) is the angle between B(1)eff(t) and the axis of quantization of the first rotating frame (FRF) z′, and dα(1)(t)/dt is the angular velocity. When the fictitious field component cannot be neglected, for the adequate description of relaxation during AFP pulses the solutions for the relaxation functions in a multi-fold rotating frame are necessary. Such a general treatment is currently unavailable for adiabatic RF pulses. Here, we obtain the solution for the relaxation functions in the Tilting Triply Rotating Frame (TTRF) during the Hyperbolic Secant (HS) pulses of the HSn family, HS1 and HS4, where n is the stretching factor. We show that the contribution to the relaxations originating from the non-negligible magnitude of the fictitious field depends on the pulse modulation functions of the AFP pulses and the parameters of the pulses. The corrections to describe the relaxations are given, which may be relevant in specific experimental setups especially for high-resolution NMR.
期刊介绍:
The Journal of Magnetic Resonance presents original technical and scientific papers in all aspects of magnetic resonance, including nuclear magnetic resonance spectroscopy (NMR) of solids and liquids, electron spin/paramagnetic resonance (EPR), in vivo magnetic resonance imaging (MRI) and spectroscopy (MRS), nuclear quadrupole resonance (NQR) and magnetic resonance phenomena at nearly zero fields or in combination with optics. The Journal''s main aims include deepening the physical principles underlying all these spectroscopies, publishing significant theoretical and experimental results leading to spectral and spatial progress in these areas, and opening new MR-based applications in chemistry, biology and medicine. The Journal also seeks descriptions of novel apparatuses, new experimental protocols, and new procedures of data analysis and interpretation - including computational and quantum-mechanical methods - capable of advancing MR spectroscopy and imaging.