Development of a method for reconstruction of crowded NMR spectra from undersampled time-domain data.
Development of a method for reconstruction of crowded NMR spectra from undersampled time-domain data.
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DOI：
10.1007/s10858-015-9908-9
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发表时间：
2015-05
影响因子：
2.7
通讯作者：
Shimada, Ichio
中科院分区：
文献类型：
--
作者：
Ueda, Takumi;Yoshiura, Chie;Matsumoto, Masahiko;Kofuku, Yutaka;Okude, Junya;Kondo, Keita;Shiraishi, Yutaro;Takeuchi, Koh;Shimada, Ichio
核磁共振是一种独特的方法，用于获得信息的构象动力学的蛋白质在异质生物分子系统。在各种NMR方法中，如转移交叉饱和、弛豫色散和顺磁弛豫增强实验，需要高精度地快速测定NMR谱中的信号强度比，以分析低收率和低稳定性的目标。然而，传统的方法重建的光谱从欠采样的时域数据，如线性预测，光谱与频域和时域的集成，傅立叶分析，和压缩传感的信号强度比的蛋白质的拥挤的二维光谱的准确测定是无效的。在这里，我们开发了一种NMR光谱重建方法，“保存的实验数据在傅立叶分析”（Co-ANAFOR），重建拥挤的光谱从欠采样的时域数据。用Co-ANAFOR进行膜蛋白、光系统I和细胞色素B 6 f及其配体质体蓝素之间的交叉饱和实验所需的采样点数是线性预测所需的一半，用Co-ANAFOR从截断的时域数据重建的光谱的峰高降低率比用压缩传感从非均匀采样数据重建的光谱的峰高降低率更准确。本文的在线版本（doi：10.1007/s10858-015-9908-9）包含补充材料，可供授权用户使用。
NMR is a unique methodology for obtaining information about the conformational dynamics of proteins in heterogeneous biomolecular systems. In various NMR methods, such as transferred cross-saturation, relaxation dispersion, and paramagnetic relaxation enhancement experiments, fast determination of the signal intensity ratios in the NMR spectra with high accuracy is required for analyses of targets with low yields and stabilities. However, conventional methods for the reconstruction of spectra from undersampled time-domain data, such as linear prediction, spectroscopy with integration of frequency and time domain, and analysis of Fourier, and compressed sensing were not effective for the accurate determination of the signal intensity ratios of the crowded two-dimensional spectra of proteins. Here, we developed an NMR spectra reconstruction method, “conservation of experimental data in analysis of Fourier” (Co-ANAFOR), to reconstruct the crowded spectra from the undersampled time-domain data. The number of sampling points required for the transferred cross-saturation experiments between membrane proteins, photosystem I and cytochrome b 6 f, and their ligand, plastocyanin, with Co-ANAFOR was half of that needed for linear prediction, and the peak height reduction ratios of the spectra reconstructed from truncated time-domain data by Co-ANAFOR were more accurate than those reconstructed from non-uniformly sampled data by compressed sensing. The online version of this article (doi:10.1007/s10858-015-9908-9) contains supplementary material, which is available to authorized users.
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影响因子：
15
作者：
Hyberts, Sven G.;Takeuchi, Koh;Wagner, Gerhard
通讯作者：
Wagner, Gerhard
影响因子：
2.7
作者：
Hyberts SG;Frueh DP;Arthanari H;Wagner G
通讯作者：
Wagner G
影响因子：
2.2
作者：
BARKHUIJSEN, H;DEBEER, R;VANORMONDT, D
通讯作者：
VANORMONDT, D
影响因子：
0.6
作者：
Freeman, R;Kupce, E
通讯作者：
Kupce, E
影响因子：
2.2
作者：
Hyberts, Sven G.;Arthanari, Haribabu;Wagner, Gerhard
通讯作者：
Wagner, Gerhard