Université de Nantes, CNRS, Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation (CEISAM), UMR 6230, B.P. 92208, 2 rue de la Houssinière, F-44322 Nantes Cedex 03, France.
Université de Nantes, CNRS, Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation (CEISAM), UMR 6230, B.P. 92208, 2 rue de la Houssinière, F-44322 Nantes Cedex 03, France.
J Magn Reson. 2014 Jan;238:87-93. doi: 10.1016/j.jmr.2013.11.008. Epub 2013 Nov 22.
Ultrafast (UF) 2D NMR enables the acquisition of 2D spectra in a single-scan. In spite of its promising potential, the accessible spectral width is highly limited by the maximum gradient amplitude, which limits the general applicability of the method. A number of solutions have been recently described to deal with this limitation, among which stands the possibility to record several interleaved scans. However, this alternative acquisition scheme leads to numerous ghost peaks characteristic of interleaved acquisitions. These artefacts highly affect the readability of 2D spectra for structural elucidation, as well as their quantitative performance. Here, we propose several pre-FT or post-FT processing corrections to clean artefacts from interleaved ultrafast NMR spectra. Their performances are compared, and their potentialities are illustrated in a small organic molecule context. Post-FT processing corrections such as ArSub (Artefact Subtraction) or symmetrisation appear to be the most efficient ones in terms of artefact removal. While not purely single-scan, these strategies open new perspectives towards the routine use of UF 2D NMR for structural or quantitative analysis.
超快（UF）二维 NMR 能够在单次扫描中采集二维谱。尽管它具有广阔的应用前景，但由于最大梯度幅度的限制，可获得的光谱宽度受到高度限制，这限制了该方法的通用性。最近已经描述了许多解决方案来处理这种限制，其中包括记录多个交错扫描的可能性。然而，这种替代采集方案会导致交错采集特有的大量伪峰。这些伪影极大地影响了二维谱的可读性，使其难以进行结构解析，也影响了它们的定量性能。在这里，我们提出了几种预傅里叶变换或后傅里叶变换处理校正方法，以从交错超快 NMR 谱中清除伪影。我们比较了它们的性能，并在小分子背景下说明了它们的应用潜力。后傅里叶变换处理校正，如 ArSub（伪影消除）或对称化，在去除伪影方面似乎是最有效的。虽然这些策略不是纯粹的单次扫描，但它们为 UF 2D NMR 在结构或定量分析方面的常规使用开辟了新的前景。
