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补偿在小分子的 HSQC 谱上采集到的 1J(CH)耦合常数的变化。

Compensating for variation in 1J(CH) coupling constants in HSQC spectra acquired on small organic molecules.

机构信息

Analytical Sciences, Syngenta, Jealott's Hill Research Centre, Bracknell RG42 6EY, UK.

出版信息

Magn Reson Chem. 2010 Nov;48(11):837-41. doi: 10.1002/mrc.2631.

Abstract

The HSQC sequence provides a sensitive way of determining the (13)C chemical shift of protonated carbons. It uses INEPT elements for magnetization transfer, which can only be optimized for one value of (1)J(CH), but small organic molecules contain a wide range of (1)J(CH) values. One popular method of compensating for (1)J(CH) variation is to incorporate adiabatic pulses into the INEPT elements. This article shows that this method fails for a significant subset of functional groups. It also shows that the effects of this failure can be reduced by avoiding refocusing delays and by using a J-compensated excitation element.

摘要

HSQC 序列提供了一种灵敏的方法来确定质子化碳的 (13)C 化学位移。它使用 INEPT 元件进行磁化转移,只能针对一个 (1)J(CH) 值进行优化,但小分子含有广泛的 (1)J(CH) 值范围。一种流行的补偿 (1)J(CH) 变化的方法是在 INEPT 元件中加入绝热脉冲。本文表明,这种方法对于很大一部分官能团都不适用。它还表明,通过避免重聚焦延迟和使用 J 补偿激发元件,可以减少这种失败的影响。

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