Feng Hai, Cai Shuhui, Chen Zhong, Lin Meijin, Feng Ji
Department of Physics, State Key Laboratory of Physical Chemistry of Solid Surface, Xiamen University, Xiamen, Fujian 361005, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2008 Dec 1;71(3):1027-31. doi: 10.1016/j.saa.2008.02.041. Epub 2008 Mar 8.
In homogeneous fields, the advantages of forward linear prediction (LP) for processing 2D NMR data sets have long been recognized. In this paper, the forward LP method was employed to obtain high-resolution NMR spectra in inhomogeneous fields. Intermolecular multiple-quantum coherence (iMQC) signals are caused by intermolecular dipolar interactions and can be used to obtain 1D high-resolution NMR spectra from the 2D iMQC spectra acquired in inhomogeneous fields. However, when the 2D spectra are acquired with insufficient increments to save experimental time, wiggles around strong peaks and bad resolution will occur. Extending the data set by forward LP in the indirect dimension is a good way to improve spectral resolution. Compared to normal discrete Fourier transform, the forward LP method can shorten experimental time by a factor of four or more at the same level of sensitivity and resolution.
在均匀场中,正向线性预测(LP)处理二维核磁共振(NMR)数据集的优势早已得到认可。本文采用正向LP方法在非均匀场中获取高分辨率NMR谱。分子间多量子相干(iMQC)信号由分子间偶极相互作用引起,可用于从在非均匀场中采集的二维iMQC谱获得一维高分辨率NMR谱。然而,当以不足的增量采集二维谱以节省实验时间时,强峰周围会出现摆动且分辨率较差。通过在间接维度上进行正向LP扩展数据集是提高谱分辨率的好方法。与常规离散傅里叶变换相比,正向LP方法在相同灵敏度和分辨率水平下可将实验时间缩短四倍或更多。