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光谱混叠:二维核磁共振谱的超级缩放。原理与应用。

Spectral aliasing: a super zoom for 2D-NMR spectra. Principles and applications.

作者信息

Njock Gaétan Bayiha Ba, Pegnyem Dieudonné Emmanuel, Bartholomeusz Trixie Ann, Christen Philippe, Vitorge Bruno, Nuzillard Jean-Marc, Shivapurkar Rupali, Foroozandeh Mohamadali, Jeannerat Damien

机构信息

Département de Chimie Organique, Faculté des Sciences, Université de Yaoundé I, P.O. Box 812, Yaoundé, Cameroun.

出版信息

Chimia (Aarau). 2010;64(4):235-40. doi: 10.2533/chimia.2010.235.

Abstract

The NMR methodology based on spectral aliasing developed at the University of Geneva is reviewed. Different approaches aimed at increasing the resolution in the indirect carbon dimension of 2D heteronuclear experiments are presented with their respective advantages. Applications to HSQC, HMBC and other 2D heteronuclear experiments to the study of natural products and synthesis intermediates are shown. HSQC-based experiments for diffusion measurements, kinetics studies and titrations experiments all take advantage of spectral aliasing to reduce the experimental time from unrealistically long acquisition times to overnight experiments. The roles of computational methods such as DFT/GIAO and Logic for Structure Determination (LSD) in structure determination are discussed.

摘要

本文综述了日内瓦大学基于谱线混叠开发的核磁共振方法。介绍了旨在提高二维异核实验间接碳维度分辨率的不同方法及其各自的优点。展示了HSQC、HMBC和其他二维异核实验在天然产物和合成中间体研究中的应用。基于HSQC的扩散测量、动力学研究和滴定实验均利用谱线混叠将实验时间从极长的采集时间缩短至过夜实验。讨论了诸如DFT/GIAO和结构确定逻辑(LSD)等计算方法在结构确定中的作用。

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