通过HSQC和1H, 13C-COSY叠合增强二维谱分辨率的方法

波谱学杂志

通过HSQC和¹H, ¹³C-COSY叠合增强二维谱分辨率的方法

朱传钧^1,3，崔育新⁴，姜标^1,2*

1. 中国科学院上海高等研究院，上海 201210； 
2. 中国科学院上海有机化学研究所，上海 200032； 
3. 上海精细化工火炬创新创业园分析中心，上海 201512； 
4. 天然药物及仿生药物国家重点实验室（北京大学），北京 100191

出版日期:2013-03-05 发布日期:2013-03-05
通讯作者: 姜标，电话：021-20325008，E-mail: jiangb@mail.sioc.ac.cn.
作者简介:朱传钧（1984-），男，北京人，硕士，助理研究员，主要从事核磁共振小分子结构分析研究.
基金资助:
国家自然科学基金（重点项目）资助项目（20832007）；国家科技重大专项(重大新药创制)资助项目（2009ZX09501-016，2009ZX09501-007）.

A Method for Improving the Resolution of Two-Dimensional NMR Spectrum by Overlapping HSQC and ¹H, ¹³C-COSY

ZHU Chuan-jun^1,3，CUI Yu-xin⁴，JIANG Biao^1,2*

1. Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China; 
2. Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai 200032, China; 
3. Shanghai Torch Innovation Park of Fine Chemical Industry, Analysis Center, Shanghai 201512, China; 
4. State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100191, China

Online:2013-03-05 Published:2013-03-05
Contact: Jiang Biao, Tel: 021-20325008，E-mail: jiangb@mail.sioc.ac.cn.
About author:朱传钧（1984-），男，北京人，硕士，助理研究员，主要从事核磁共振小分子结构分析研究.
Supported by:
国家自然科学基金（重点项目）资助项目（20832007）；国家科技重大专项(重大新药创制)资助项目（2009ZX09501-016，2009ZX09501-007）.

摘要/Abstract

摘要：

通常二维谱F₁维分辨率较差，F₂维分辨率较好. 即HSQC实验¹³C维度分辨率较差，¹H维度分辨率较好. 而¹H, ¹³C-COSY实验¹³C维度分辨率较好，¹H维度分辨率较差. 提出一种通过HSQC和¹H, ¹³C-COSY叠合，取较弱的值储存并显示的方法增强分辨率，采用Bruker Topspin软件AU程序实现. 该方法在不明显增加采样时间的情况下，可显著增强分辨率，信噪比也没有降低. 同时抑制了F₁噪声. 处理后，谱图美观清晰.

关键词: 核磁共振（NMR）, 分辨率, AU程序, 叠合, HSQC, ¹H, ¹³C-COSY

Abstract:

In traditional two-dimensional (2D) NMR experiments, spectral resolution in the F₁ dimension is usually higher than that in the F₂ dimension. Therefore, in the HSQC experiments, the spectral resolution in the ¹³C dimension is lower than that in the ¹H dimension. This is the opposite in the ¹H, ¹³C-COSY experiments. In this work, a method for improving the resolution of 2D NMR spectrum was presented, in which HSQC and ¹H, ¹³C-COSY spectra were overlapped, and then the weaker points were selected, saved and displayed. The method was implemented as an AU program within the Bruker Topspin framework. It was demonstrated experimentally that the method could improve spectral resolution, at no cost of signal-to-noise ratio. The method can also be used to suppress F₁ noise.

Key words: NMR, resolution, AU program, overlap, HSQC, ¹H, ¹³C-COSY

中图分类号:

O482.53

朱传钧，崔育新，姜标*. 通过HSQC和¹H, ¹³C-COSY叠合增强二维谱分辨率的方法[J]. 波谱学杂志.

ZHU Chuan-jun，CUI Yu-xin，JIANG Biao*. A Method for Improving the Resolution of Two-Dimensional NMR Spectrum by Overlapping HSQC and ¹H, ¹³C-COSY[J]. Chinese Journal of Magnetic Resonance.

参考文献

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通过HSQC和¹H, ¹³C-COSY叠合增强二维谱分辨率的方法

A Method for Improving the Resolution of Two-Dimensional NMR Spectrum by Overlapping HSQC and ¹H, ¹³C-COSY

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