Complete solution for rotating frame relaxation functions during adiabatic pulses

IF 2 3区 化学 Q3 BIOCHEMICAL RESEARCH METHODS Journal of magnetic resonance Pub Date : 2025-01-01 DOI:10.1016/j.jmr.2024.107809
Shalom Michaeli
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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 T(t) relaxation, or evolves on a plane perpendicular to B(1)eff(t), leading to T(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 −1(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 (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.

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绝热脉冲期间旋转框架松弛函数的完全解。
在绝热全通道(AFP)射频(RF)脉冲中,松弛函数通常在倾斜双旋转框架(TDRF)或第二旋转参考框架(SRF)中处理。当在绝热通道中,磁化强度M与时间相关的有效磁场B(1)eff(t)完全对齐,导致T1ρ(t)弛豫,或在垂直于B(1)eff(t)的平面上演变,导致T2ρ(t)弛豫时,这种描述是适当的。B(1)eff(t)的时间演化导致了虚拟磁场的形成,这在绝热状态下工作的AFP脉冲中通常被忽略,也就是说,考虑到|≪B(1)eff(t) /dt的绝热条件,|≪B(1)eff(t)很好地满足。其中α(1)(t)为B(1)eff(t)与第一旋转框架(FRF)量化轴z′之间的夹角,dα(1)(t)/dt为角速度。当虚拟场分量不能忽略时,为了充分描述AFP脉冲中的松弛,需要求解多重旋转框架中的松弛函数。对于绝热射频脉冲,目前还没有这样的一般处理方法。在这里,我们得到了在HSn族、HS1和HS4的双曲割线(Hyperbolic sec割线)脉冲中,倾斜三重旋转框架(TTRF)中的松弛函数的解,其中n为拉伸因子。我们证明了虚构场的不可忽略的大小对弛豫的贡献取决于AFP脉冲的脉冲调制函数和脉冲的参数。给出了描述弛豫的修正,这可能与特定的实验装置有关,特别是高分辨率核磁共振。
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来源期刊
CiteScore
3.80
自引率
13.60%
发文量
150
审稿时长
69 days
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.
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