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
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.
Key words：DAOSD;Infrared spectra;Cross peaks intensity
张 瑾1, 2，郭 然2，康廷国1*，贺安琪2，翁诗甫2，夏锦明3，凌晓锋4，徐怡庄2*，吴瑾光2 . 浓度序列对基于双异步正交样品设计构建的二维异步谱峰信噪比的影响 [J]. 光谱学与光谱分析, 2015, 35(05): 1193-1198.
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. Influence of Concentration Sequence on the Signal-to-Noise Ratio of Cross Peaks of 2D Asynchronous Spectra Generated by Using the DAOSD Approach. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2015, 35(05): 1193-1198.
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