| 光谱学与光谱分析 |
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| Influence of Concentration Sequence on the Signal-to-Noise Ratio of Cross Peaks of 2D Asynchronous Spectra Generated by Using the DAOSD Approach |
| ZHANG Jin1, 2, GUO Ran2, KANG Ting-guo1*, HE An-qi2, WENG Shi-fu2, XIA Jin-ming3, LING Xiao-feng4, XU Yi-zhuang2*, WU Jin-guang2 |
1. College of Pharmacy, Liaoning University of Traditional Chinese Medicine, Shenyang 110032, China
2. Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China
3. Shenyang Dootel Biopharmaceutical Research Center, Shenyang 110031, China
4. Peking University Third Hospital, Beijing 100083, China |
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Abstract In the present work, computer simulation was performed on a model chemical system where two solutes (denoted as P and Q, respectively) are dissolved in the same solution. Under intermolecular interaction between P and Q, part of P undergoes subtle structural variation and converts into U while part of Q converts into V. The strength of intermolecular interaction can be characterized by the corresponding equilibrium constant K. Our preliminary studies indicate that the S/N ratio of cross peak increases considerably as n increases. Moreover, the S/N ratio of the cross peak from the asynchronous spectra can be improved significantly when the suitable concentrations of P and Q are adopted. This work is helpful for a selection of suitable concentration sequence to maximize S/N ratio of cross peaks in the 2D asynchronous spectra generated by using the DAOSD approach proposed in our previous study so that weak intermolecular interaction can be probed.
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Received: 2014-11-30
Accepted: 2015-02-05
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Corresponding Authors:
KANG Ting-guo,XU Yi-zhuang
E-mail: xyz@pku.edu.cn; Kangtg@lnutcm.edu.cn
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