Suppr超能文献

一种用于实验时域信号的新小波去噪方法:脉冲偶极电子自旋共振

A New Wavelet Denoising Method for Experimental Time-Domain Signals: Pulsed Dipolar Electron Spin Resonance.

作者信息

Srivastava Madhur, Georgieva Elka R, Freed Jack H

机构信息

National Biomedical Center for Advanced ESR Technology, ‡Meinig School of Biomedical Engineering, and §Department of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853, United States.

出版信息

J Phys Chem A. 2017 Mar 30;121(12):2452-2465. doi: 10.1021/acs.jpca.7b00183. Epub 2017 Mar 17.

Abstract

We adapt a new wavelet-transform-based method of denoising experimental signals to pulse-dipolar electron-spin resonance spectroscopy (PDS). We show that signal averaging times of the time-domain signals can be reduced by as much as 2 orders of magnitude, while retaining the fidelity of the underlying signals, in comparison with noiseless reference signals. We have achieved excellent signal recovery when the initial noisy signal has an SNR ≳ 3. This approach is robust and is expected to be applicable to other time-domain spectroscopies. In PDS, these time-domain signals representing the dipolar interaction between two electron spin labels are converted into their distance distribution functions P(r), usually by regularization methods such as Tikhonov regularization. The significant improvements achieved by using denoised signals for this regularization are described. We show that they yield P(r)'s with more accurate detail and yield clearer separations of respective distances, which is especially important when the P(r)'s are complex. Also, longer distance P(r)'s, requiring longer dipolar evolution times, become accessible after denoising. In comparison to standard wavelet denoising approaches, it is clearly shown that the new method (WavPDS) is superior.

摘要

我们采用了一种基于小波变换的新方法,用于对脉冲双极电子自旋共振光谱(PDS)的实验信号进行去噪。我们表明,与无噪声参考信号相比,时域信号的信号平均时间可减少多达2个数量级,同时保持底层信号的保真度。当初始噪声信号的信噪比≳3时,我们实现了出色的信号恢复。这种方法很稳健,有望应用于其他时域光谱学。在PDS中,这些表示两个电子自旋标记之间偶极相互作用的时域信号通常通过诸如蒂霍诺夫正则化等正则化方法转换为它们的距离分布函数P(r)。描述了使用去噪信号进行这种正则化所取得的显著改进。我们表明,它们产生的P(r)具有更准确的细节,并且能更清晰地分离各个距离,当P(r)很复杂时这一点尤为重要。此外,经过去噪后,可以获取需要更长偶极演化时间的更长距离的P(r)。与标准小波去噪方法相比,清楚地表明新方法(WavPDS)更优越。

相似文献

1
A New Wavelet Denoising Method for Experimental Time-Domain Signals: Pulsed Dipolar Electron Spin Resonance.
J Phys Chem A. 2017 Mar 30;121(12):2452-2465. doi: 10.1021/acs.jpca.7b00183. Epub 2017 Mar 17.
3
Singular Value Decomposition Method to Determine Distance Distributions in Pulsed Dipolar Electron Spin Resonance.
J Phys Chem Lett. 2017 Nov 16;8(22):5648-5655. doi: 10.1021/acs.jpclett.7b02379. Epub 2017 Nov 7.
5
Optimal Wavelet Selection for Signal Denoising.
IEEE Access. 2024;12:45369-45380. doi: 10.1109/access.2024.3377664. Epub 2024 Mar 18.
6
Extraction of Weak Spectroscopic Signals with High Fidelity: Examples from ESR.
J Phys Chem A. 2021 May 27;125(20):4480-4487. doi: 10.1021/acs.jpca.1c02241. Epub 2021 May 19.
7
A New Wavelet Denoising Method for Selecting Decomposition Levels and Noise Thresholds.
IEEE Access. 2016;4:3862-3877. doi: 10.1109/ACCESS.2016.2587581. Epub 2016 Jul 7.
8
The determination of pair distance distributions by pulsed ESR using Tikhonov regularization.
J Magn Reson. 2005 Feb;172(2):279-95. doi: 10.1016/j.jmr.2004.10.012.
9
Improvement of CO₂-DIAL Signal-to-Noise Ratio Using Lifting Wavelet Transform.
Sensors (Basel). 2018 Jul 20;18(7):2362. doi: 10.3390/s18072362.
10
Denoising functional MR images: a comparison of wavelet denoising and Gaussian smoothing.
IEEE Trans Med Imaging. 2004 Mar;23(3):374-87. doi: 10.1109/TMI.2004.824234.

引用本文的文献

1
The soluble HIV-1 Vpu protein interacts with calmodulin in a Ca-dependent manner.
bioRxiv. 2025 Jun 17:2025.06.12.658902. doi: 10.1101/2025.06.12.658902.
2
Localized Reconstruction of Multimodal Distance Distribution from DEER Data of Biopolymers.
bioRxiv. 2025 Jan 3:2025.01.02.631084. doi: 10.1101/2025.01.02.631084.
4
Interdomain Linkers Regulate Histidine Kinase Activity by Controlling Subunit Interactions.
Biochemistry. 2022 Dec 6;61(23):2672-2686. doi: 10.1021/acs.biochem.2c00326. Epub 2022 Nov 2.
5
Protein delivery to living cells by thermal stimulation for biophysical investigation.
Sci Rep. 2022 Oct 13;12(1):17190. doi: 10.1038/s41598-022-21103-9.
6
Doubly spin-labeled nanodiscs to improve structural determination of membrane proteins by ESR.
RSC Adv. 2019 Mar 19;9(16):9014-9021. doi: 10.1039/c9ra00896a. eCollection 2019 Mar 15.
7
Protein functional dynamics from the rigorous global analysis of DEER data: Conditions, components, and conformations.
J Gen Physiol. 2021 Nov 1;153(11). doi: 10.1085/jgp.201711954. Epub 2021 Sep 16.
9
Extraction of Weak Spectroscopic Signals with High Fidelity: Examples from ESR.
J Phys Chem A. 2021 May 27;125(20):4480-4487. doi: 10.1021/acs.jpca.1c02241. Epub 2021 May 19.
10
Microsecond Exchange Processes Studied by Two-Dimensional ESR at 95 GHz.
J Am Chem Soc. 2020 Dec 23;142(51):21368-21381. doi: 10.1021/jacs.0c09469. Epub 2020 Dec 11.

本文引用的文献

1
A New Wavelet Denoising Method for Selecting Decomposition Levels and Noise Thresholds.
IEEE Access. 2016;4:3862-3877. doi: 10.1109/ACCESS.2016.2587581. Epub 2016 Jul 7.
2
A Bayesian approach to quantifying uncertainty from experimental noise in DEER spectroscopy.
J Magn Reson. 2016 Sep;270:87-97. doi: 10.1016/j.jmr.2016.06.021. Epub 2016 Jul 2.
4
A Straightforward Approach to the Analysis of Double Electron-Electron Resonance Data.
Methods Enzymol. 2015;563:531-67. doi: 10.1016/bs.mie.2015.07.031. Epub 2015 Sep 15.
5
Mechanism of influenza A M2 transmembrane domain assembly in lipid membranes.
Sci Rep. 2015 Jul 20;5:11757. doi: 10.1038/srep11757.
6
Circadian rhythms. A protein fold switch joins the circadian oscillator to clock output in cyanobacteria.
Science. 2015 Jul 17;349(6245):324-8. doi: 10.1126/science.1260031. Epub 2015 Jun 25.
7
Structural mechanism for the regulation of HCN ion channels by the accessory protein TRIP8b.
Structure. 2015 Apr 7;23(4):734-44. doi: 10.1016/j.str.2015.02.007. Epub 2015 Mar 19.
8
Determining the oligomeric structure of proteorhodopsin by Gd3+ -based pulsed dipolar spectroscopy of multiple distances.
Structure. 2014 Nov 4;22(11):1677-86. doi: 10.1016/j.str.2014.09.008. Epub 2014 Oct 30.
9

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验