Dried tangerine peel is a kind of Chinese medicine and it is widely used. The pharmacological characteristics of this kind of Chinese traditional medicine is not based on a single or a few chemical substances, but on the Chinese medicine as a whole. In order to explore the Chinese medicine pharmacological characteristics,a new method,which does not start from the chemical structure of material, but regard the absorption peaks of the one-dimensional linear spectrum of this Chinese medicine as normal modes. Assuming interaction and the dipole moment between modes, a microscopic model of interaction between laser and dried tangerine peel has been established. Then theoretically calculate two-dimensional third-order nonlinear laser spectrum of the dried tangerine peel in its environment. The spectrogram obtained by simulations are in good agreement with experimental results. Through the comparison of theoretical and experimental spectra of the Chinese medichine, the energy level structure, the coupling strength between each normal modes, and the dipole moment of each modes for the dried tangerine peel can be obtained. This is a new method of the pharmacological researches for the Chinese herbal medicine, and this approch of theory combined with experiments can be expanded to studies not only other Chinese herbal medicines but also some other functional materials, if their energy spectrua and the polarization can be obtained experimentally. It may be an important method to study pharmacology of Chinese herbal medicines.%陈皮是一种中药材,有非常广泛的用途.而这类中药的药理特点并不基于单一或少数化学物质,而是基于这种中药所组成的整体.为了探索这种中药整体的药理特征,没有从这种物质的化学结构出发而是将这种中药整体的一维线性谱的吸收峰视为简正模,在假定各模式之间的相互作用与偶极矩的大小后,建立了激光与其相互作用微观模型.在此基础上,理论地计算了陈皮在环境中的二维非线性激光谱.所得光谱图与实验结果较好吻合.这种方法能预言陈皮的能级结构与各简正模式间的耦合强度以及其偶极矩的大小.这一方法为深入研究这种中药药理提供了一个全新的思路.这种理论与实验相结合方法可以推广到其它中药材以及一些实验一维线性光谱易于得到的材料的能谱与极化分布的研究上,对深入了解中药材药理具有重要意义.
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