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双异步正交样品设计(DAOSD)是通过对样品体系施加浓度的微扰,诱导光谱信号产生动态变化,并通过数学处理研究样品中物质间相互作用的二维相关光谱方法。提高二维谱图的信噪比对于谱图中交叉峰的分辨乃至物质间相互作用的考察有着十分重要的意义。通过计算机模拟考察了DAOSD构建二维相关光谱的方法中样品浓度序列对光谱行为影响。结果表明,在溶液数量较少的情况下,通过改变样品的浓度和组合顺序,可以有效提高交叉峰的信噪比,从而得到更高质量的二维谱图。
The double asynchrony orthogonal sample design (DAOSD) is a two-dimensional correlation spectroscopy method that studies the dynamic interaction between materials in a sample by applying perturbation of the concentration to the sample system to induce the dynamic change of the spectral signal. Improving the signal-noise ratio of two-dimensional spectrogram is of great significance for the investigation of the cross peaks in the spectrum and even for the investigation of the inter-matter interactions. The influence of sample concentration sequence on spectral behavior in DAOSD method for constructing two-dimensional correlation spectroscopy was investigated by computer simulation. The results show that the signal-to-noise ratio of cross peaks can be effectively increased by changing the sample concentration and combination order when the amount of solution is small, so that a higher quality 2D spectrum can be obtained.