CNRS, Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation (CEISAM), UMR 6230, Faculté des Sciences, Université de Nantes, BP 92208, 2 rue de la Houssinière, F-44322 Nantes Cedex 03, France.
Magn Reson Chem. 2013 Mar;51(3):168-75. doi: 10.1002/mrc.3927. Epub 2013 Jan 24.
Ultrafast (UF) 2D NMR is a very promising methodology enabling the acquisition of 2D spectra in a single scan. In the last few years, the analytical performance of UF 2D NMR has been highly increased, consequently maximizing its range of applications. However, its implementation and use by non-specialists are far from being straightforward, because of the specific acquisition and processing procedures and parameters characterizing UF NMR. To make this methodology implementable and applicable by non-specialists, we developed a simple routine capable of translating conventional parameters (spectral widths and transmitter frequencies) into specific UF parameters (gradient and chirp pulse parameters). This macro was subsequently implemented in a Web page, which is available for external users. Although the algorithm was designed for two widely used 2D experiments, COSY and HSQC, it can easily be extended to any other pulse sequence. The robustness of this routine was verified successfully on a variety of small molecules. We believe that this tool will eliminate much of the technical difficulties related to UF 2D NMR and will make the technique accessible to a wider audience of organic and analytical chemists.
超快（UF）二维 NMR 是一种非常有前途的方法，可在单次扫描中采集二维光谱。在过去的几年中，UF 2D NMR 的分析性能得到了极大的提高，从而最大限度地扩大了其应用范围。然而，由于 UF NMR 的特定采集和处理程序以及参数，非专业人员的实施和使用远非简单。为了使这种方法可供非专业人员实施和应用，我们开发了一个简单的例程，能够将常规参数（谱宽和发射器频率）转换为特定的 UF 参数（梯度和啁啾脉冲参数）。该宏随后被实现到一个网页中，供外部用户使用。尽管该算法是为两个广泛使用的二维实验（COSY 和 HSQC）设计的，但它可以很容易地扩展到任何其他脉冲序列。该例程在各种小分子上的稳健性得到了成功验证。我们相信，这个工具将消除与 UF 2D NMR 相关的许多技术困难，并使该技术更容易被更广泛的有机和分析化学家所接受。
