| The extraction and separation of Chinses medicine is the key procedure of proprietary Chinese medicines in the production process, and is the key process to improve the quality of traditional Chinses medicine, which directly affects the quality of the products and clinical effects. In recent years, the macroporous resins increasingly reveal the unique effect in the way of separation and purification for the extract of Chinese medicine. The macroporous resins can simplify the process on the extraction and separation, can improve the utilization of raw materials and reagents, can improve the concentration of the sample rate and at the same time reduce production costs. Not only is it more effective and reliable means of purification for quality control of traditional Chinese medicine and modernization of Chinese medicine. More importantly, it can improve the shortcomings of traditional Chinese medicine preparation, such as the "thick, large, black" appearance and excessive dose, etc. There is a positive role in promoting the innovation of traditional Chinese medicine preparation.There are many reports on the different types of active ingredients of traditional Chinese medicine on the macroporous resin adsorption at the present, but there are few studies on the adsorption laws about the different types of traditional Chinese medicine active ingredients. Now the main method is to optimize the process conditions preferably by the specific experiments to examine the resin purification of each step of the active ingredient. The experiments aim at the specific separation objects, and did through regarded the measured target composition as an indicator. However, due to the differences in structure and physicochemical properties, the different separating objects’experimental conditions vary greatly. When taking advantage of the macroporous resin to separate a new composition, they often need to spend a lot of manpower, material and financial resources to explore suitable conditions. It is a long period, high cost process and it becomes the bottleneck for the application of macroporous resin in the filed of traditional Chinese medicine. Therefore, how to find the relationship between the macroporous resin process conditions and the separated objects molecular structure on the basis of the existing research works is the core to guide the macroporous resin process optimization.Modeling techniques are now widely used in the study of engineering and production process. Not only can it express the overall relationship between numbers of variables in the complex process systems centrally, but also it has low cost, easy repeating, high efficiency, etc. It has obvious advantages in terms of muli-factor process optimization. System modeling techniques demonstrate its unique advantages and become the basic means for the study of complex systems, expecially when a study object is related to a number of factors. The macroporous resin adsorption process involves the compounds’physical and chemical properties, physical and chemical properties of the resin, the mobile phase, the adsorption conditions and environmental conditions, etc. It is a kind of typical complex industry process. Therefore, the optimum conditions will be got through using of the system modeling techniques based on the macroporous resin adsorption kinetic characteristics. It is conducive to consider a variety of variables. According to this consideration, this paper takes the modeling techniques and the macroporous resin assay techniques as the primary technique for this study, and establish the macroporous resin static adsorption model and dynamic adsorption model based on the flavonoid molecular structure.In this paper, the static adsorption data and the dynamic adsorption data which reported in the literature of flavonoids-macroporous resin adsorption process are collected and neatened. The molecular structure descriptor of flavonoids is calculated by using molecular electronegativity distance. The two models are did by the artificial neural network method which is one method of the quantitative structure-property relationship (QSPR) technology, and under the proposed the equation of the pseudo-first and pseudo-secpnd kinetic equation. This study is divided into four parts:the first part is to prove that the structure of flavonoids has a significant impact on the macroporous resin adsorption process by the specific means of experiments. It explains why the macroporous resin adsorption model is established based on the molecular structure of flavonoids. The second part is to establish chiefly the static adsorption model through the system modeling techniques, and to determine the scope for the application of the model. The third is generally the same as the second part. It is to establish a dynamic adsorption model by the system modeling techniques and to determine the scope for the application of the model. The forth part is performing the adsorption model validation test and at the same time further optimizing the model.At last, the macroporous resin static adsorption and dynamic adsorption model based on the flavonoid molecular structure were established. The two model are applicable to the flavonoids, flavonols, dihydro-flavone, and dihydro-flavonols class, under the condition that the styrene resin at25℃. The model can be used to forcast the adsorption trend. More work is required for the calculation of the specific adsorption capacity from the models.In this paper, the macroporous resin adsorption kinetics model is established by taking the complex systems’modeling technique. This model involves the molecular structure characteristic parameters, process conditions and separation efficiency, etc., which can be used to find the influence discipline of different parameters on the extraction efficiency, to build the standardization way of macroporous resin adsorption process optimization based on the molecular resin separation, to simplify the existing experimental steps and to optimize existing experimental design. At the same time, it provides guidance for the other class composition macroporous resin separation and provides a basis for industrial application of complex system modeling techniques in the extraction and separation of traditional Chinese medicine. The work of this paper will further promote the modernization and internationalization of Chinese medicine. |
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