Theory of covariance nuclear magnetic resonance spectroscopy
Theory of covariance nuclear magnetic resonance spectroscopy
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DOI：
10.1063/1.1755652
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发表时间：
2004-07-01
影响因子：
4.4
通讯作者：
Brüschweiler, R
中科院分区：
文献类型：
--
作者：
Brüschweiler, R
协方差核磁共振（NMR）光谱提供了一种有效的方法来建立分子系统中的核自旋连接性。该方法，它确定相关的自旋动力学的一维光谱之间的协方差，受益于高光谱分辨率沿着的间接尺寸，而不需要切趾和傅立叶变换沿着这个维度。给出了NOESY和TOCSY实验的协方差NMR谱的理论处理。结果表明，对于一个大类的二维NMR实验的协方差谱和二维傅里叶变换谱可以相互关联的Parseval定理。提出了一个一般程序的对称频谱的建设与改进的分辨率沿着的间接频域相比，二维FT频谱。(C)2004年，美国物理学会。
Covariance nuclear magnetic resonance (NMR) spectroscopy provides an effective way for establishing nuclear spin connectivities in molecular systems. The method, which identifies correlated spin dynamics in terms of covariances between 1D spectra, benefits from a high spectral resolution along the indirect dimension without requiring apodization and Fourier transformation along this dimension. The theoretical treatment of covariance NMR spectroscopy is given for NOESY and TOCSY experiments. It is shown that for a large class of 2D NMR experiments the covariance spectrum and the 2D Fourier transform spectrum can be related to each other by means of Parseval's theorem. A general procedure is presented for the construction of a symmetric spectrum with improved resolution along the indirect frequency domain as compared to the 2D FT spectrum. (C) 2004 American Institute of Physics.