Measuring reliable electron spin coherence times with dynamical decoupling sequences that use selective mw pulses

IF 2.1 3区 化学 Q3 BIOCHEMICAL RESEARCH METHODS
Journal of magnetic resonance Pub Date : 2025-12-01 Epub Date: 2025-10-06 DOI:10.1016/j.jmr.2025.107981
George Mitrikas , Rania Giourtsidou
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引用次数: 0

Abstract

Dynamical decoupling methods like the Carr-Purcell-Meiboom-Gill (CPMG) or XY4- and XY8-based sequences play a key role in the measurement of reliable electron spin coherence times as they help to disentangle different sources of decoherence. Although these methods are mainly evaluated for their robustness and ability to mitigate pulse imperfections, to date little attention has been paid to the selectivity of the microwave pulses (mw), which is a factor that affects the determination of T2 in two ways: first, unwanted stimulated echoes, which decay with T1, overlap with desired refocused echoes, resulting in overestimated values of T2. Second, under selective mw excitation, the amplitude of the different refocused echoes shows an additional time decay even in the absence of relaxation processes. Here, we investigate the characteristics of CPMG, XY4 and XY8-based sequences by performing numerical simulations for a two-level spin system. Using the Liouville space representation of the spin state, we introduce relaxation effects in the simulations. We show that our numerical calculations reproduce well all the features of the experimental echoes and allow for the accurate determination of T2 times without the need to perform tedious phase-cycle protocols to eliminate unwanted signals.

Abstract Image

使用选择性毫瓦脉冲的动态解耦序列测量可靠的电子自旋相干时间。
动态解耦方法,如carr - purcell - meiboomm - gill (CPMG)或基于XY4-和xy8的序列,在可靠的电子自旋相干时间测量中起着关键作用,因为它们有助于解开不同的退相干源。虽然这些方法主要是通过鲁棒性和减轻脉冲缺陷的能力来评估的,但迄今为止,人们很少关注微波脉冲的选择性(mw),这是影响T2测定的一个因素,主要有两个方面:首先,不需要的受激发回波,随着T1衰减,与期望的重聚焦回波重叠,导致T2值高估。其次,在选择性毫微米激励下,即使在没有弛豫过程的情况下,不同重聚焦回波的振幅也表现出额外的时间衰减。本文通过对两能级自旋系统的数值模拟,研究了CPMG、XY4和xy8序列的特性。利用自旋态的刘维尔空间表示,我们在模拟中引入了弛豫效应。我们表明,我们的数值计算可以很好地再现实验回波的所有特征,并允许准确确定T2时间,而无需执行繁琐的相位周期协议来消除不需要的信号。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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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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