Projection-reconstruction technique for speeding up multidimensional NMR spectroscopy

Projection-reconstruction technique for speeding up multidimensional NMR spectroscopy
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DOI:
10.1021/ja049432q
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发表时间:
2004-05-26
影响因子:
15
通讯作者:
Freeman, R
Freeman, R
中科院分区:
化学1区
文献类型:
--
作者:
Kupce, E;Freeman, R

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多维NMR光谱的采集可以通过与X射线扫描仪中使用的技术相关的投影重建方法来加速很大的因子。来自少量平面投影的信息用于以熟悉的格式重建全多维光谱。在任何所需的入射角的投影获得时,两个或多个演变间隔以不同的速率同时增加时,通过时域信号的傅立叶变换。新技术依赖于一个既定的傅立叶变换定理,涉及时域部分频域投影。核磁共振仪器的最新发展,如分辨率和灵敏度的提高,使快速收集数据的方法在蛋白质和RNA研究中更加实用。超复数傅立叶变换生成对称相关对的投影,提供光谱的两个独立“视图”。提出了一种新的基于Radon逆变换的图像重建算法。实例提出的三维和四维NMR光谱的核酸酶A抑制剂重建这种技术与测量时间的显着节省。
The acquisition of multidimensional NMR spectra can be speeded up by a large factor by a projection-reconstruction method related to a technique used in X-ray scanners. The information from a small number of plane projections is used to recreate the full multidimensional spectrum in the familiar format. Projections at any desired angle of incidence are obtained by Fourier transformation of time-domain signals acquired when two or more evolution intervals are incremented simultaneously at different rates. The new technique relies on an established Fourier transform theorem that relates time-domain sections to frequency-domain projections. Recent developments in NMR instrumentation, such as increased resolution and sensitivity, make fast methods for data gathering much more practical for protein and RNA research. Hypercomplex Fourier transformation generates projections in symmetrically related pairs that provide two independent "views" of the spectrum. A new reconstruction algorithm is proposed, based on the inverse Radon transform. Examples are presented of three- and four-dimensional NMR spectra of nuclease A inhibitor reconstructed by this technique with significant savings in measurement time.