Time-Frequency Analysis of Two-Dimensional Electron Spin Resonance Signals.
Time-Frequency Analysis of Two-Dimensional Electron Spin Resonance Signals.
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DOI：
10.1021/acs.jpca.3c02708
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发表时间：
2023-09-21
影响因子：
2.9
通讯作者：
Srivastava, Madhur
中科院分区：
文献类型：
--
作者：
Sahoo, Gyana Ranjan;Roy, Aritro Sinha;Srivastava, Madhur
二维电子自旋共振（2D ESR）光谱是一种独特的实验技术，可以探测蛋白质的结构和动力学，包括微秒级的过程。虽然它提供了显着的分辨率增强了一维的实验设置，光谱展宽和噪声使光谱信息的提取极具挑战性。传统上，二维傅里叶变换（2D FT）被应用于2D ESR信号的分析，尽管其效率仅限于平稳信号。此外，它往往无法解决重叠峰在2D ESR。在这项工作中，我们提出了一个二维时域信号的时频分析，它通过在时频平面上的投影将信号解耦成其不同的组成成分，从而识别所有的频率峰值。该方法利用二维非抽样离散小波变换（2D UDWT）作为分析的中间步骤，然后进行信号重建和2D FT。我们已经将该方法应用于模拟的2D双量子相干（DQC）信号进行验证和一组实验的2D ESR信号，证明了其在频域中解决重叠峰的效率，同时在非平稳数据的情况下显示频率随时间的演变。
Two dimensional electron spin resonance (2D ESR) spectroscopy is a unique experimental technique in probing protein structure and dynamics, including processes that occur at microsecond time scale. While it provides significant resolution enhancement over the one-dimensional experimental set up, spectral broadening and noise make extraction of spectral information highly challenging. Traditionally, two-dimensional Fourier transform (2D FT) is applied for the analysis of 2D ESR signals, although its efficiency is limited to stationary signals. In addition, it often fails to resolve overlapping peaks in 2D ESR. We propose a time-frequency analysis of 2D time-domain signals in this work, which identifies all the frequency peaks by decoupling a signal into its distinct constituent components via projection on the time-frequency plane. The method utilizes 2D Undecimated Discrete Wavelet Transform (2D UDWT) as an intermediate step in the analysis followed by signal reconstruction and 2D FT. We have applied the method to a simulated 2D double quantum coherence (DQC) signal for validation and a set of experimental 2D ESR signals, demonstrating its efficiency in resolving overlapping peaks in the frequency-domain, while displaying frequency evolution with time in case of non-stationary data.
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