T2* weighted Deconvolution of NMR Spectra: Application to 2D Homonuclear MAS Solid-State NMR of Membrane Proteins.
T2* weighted Deconvolution of NMR Spectra: Application to 2D Homonuclear MAS Solid-State NMR of Membrane Proteins.
复制标题
NMR 谱图的 T2* 加权解卷积：在膜蛋白的 2D 同核 MAS 固态 NMR 中的应用。
DOI：
10.1038/s41598-019-44461-3
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发表时间：
2019
影响因子：
4.6
通讯作者：
Veglia,Gianluigi
中科院分区：
文献类型：
--
作者：
VS,Manu;Gopinath,Tata;Wang,Songlin;Veglia,Gianluigi
二维核磁共振波谱是表征小分子和大分子的基本技术，如有机化合物，代谢物和生物大分子的原子分辨率。然而，对于复杂的样品，2D homembrane光谱显示出较差的分辨率，使得光谱分配非常麻烦。在这里，我们提出了一种新的方法，利用差分T2* 弛豫时间的个别共振和解决的二维NMR峰到伪三维光谱，其中时间是3rddimension。T2* 加权去卷积或TIDE分析单个自由感应衰减（FID），并将它们分解成子FID，子FID结合傅立叶变换和协方差NMR被变换成伪3D光谱。TIDE实现了更高的分辨率和灵敏度的NMR光谱比经典的协方差NMR减少偏移依赖的文物。我们证明了魔角旋转（MAS）[13 C，13 C]-DARR NMR谱的单跨和多跨膜蛋白嵌入脂质双层的TIDE的性能。由于TIDE适用于液体和固体样品的所有类型的同源相关实验，我们预计它将成为处理生物大分子，代谢物的复杂混合物以及材料样品的NMR数据的通用方法。
2D homonuclear NMR spectroscopy is an essential technique to characterize small and large molecules, such as organic compounds, metabolites, and biomacromolecules at atomic resolution. However, for complex samples 2D homonuclear spectra display poor resolution, making spectral assignment very cumbersome. Here, we propose a new method that exploits the differential T2* relaxation times of individual resonances and resolves the 2D NMR peaks into pseudo-3D spectra, where time is the 3rddimension. T2* weIghted DEconvolution or TIDE analyzes individual free induction decays (FIDs) and dissects them into sub-FIDs that are transformed into pseudo-3D spectra combining Fourier transformation and covariance NMR. TIDE achieves higher resolution and sensitivity for NMR spectra than classical covariance NMR reducing offset-dependent artifacts. We demonstrate the performance of TIDE for magic angle spinning (MAS) [13C,13C]-DARR NMR spectra of single- and multi-span membrane proteins embedded in lipid bilayers. Since TIDE is applicable to all type of homonuclear correlation experiments for liquid and solid samples, we anticipate that it will be a general method for processing NMR data of biomacromolecules, complex mixtures of metabolites as well as material samples.