Coggins Brian E, Zhou Pei
Department of Biochemistry, Duke University Medical Center, Durham, NC 27710, USA.
J Magn Reson. 2006 Sep;182(1):84-95. doi: 10.1016/j.jmr.2006.06.016. Epub 2006 Jul 3.
Radial sampling of the NMR time domain has recently been introduced to speed up data collection significantly. Here, we show that radially sampled data can be processed directly using Fourier transforms in polar coordinates. We present a comprehensive theoretical analysis of the discrete polar Fourier transform, and derive the consequences of its application to radially sampled data using linear response theory. With adequate sampling, the resulting spectrum using a polar Fourier transform is indistinguishable from conventionally processed spectra with Cartesian sampling. In the case of undersampling in azimuth--the condition that provides significant savings in measurement time-the correct spectrum is still produced, but with limited distortion of the baseline away from the peaks, taking the form of a summation of high-order Bessel functions. Finally, we describe an intrinsic connection between the polar Fourier transform and the filtered backprojection method that has recently been introduced to process projection-reconstruction NOESY data. Direct polar Fourier transformation holds great potential for producing quantitatively accurate spectra from radially sampled NMR data.
最近引入了核磁共振时域的径向采样,以显著加快数据采集速度。在此,我们表明径向采样数据可直接使用极坐标中的傅里叶变换进行处理。我们对离散极坐标傅里叶变换进行了全面的理论分析,并利用线性响应理论推导了其应用于径向采样数据的结果。通过适当采样,使用极坐标傅里叶变换得到的光谱与采用笛卡尔采样常规处理的光谱无法区分。在方位角欠采样的情况下——这种情况可显著节省测量时间——仍能产生正确的光谱,但基线在远离峰值处有有限的失真,其形式为高阶贝塞尔函数的总和。最后,我们描述了极坐标傅里叶变换与最近引入的用于处理投影重建NOESY数据的滤波反投影方法之间的内在联系。直接极坐标傅里叶变换在从径向采样的核磁共振数据生成定量准确的光谱方面具有巨大潜力。